smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121755741 823244203 /nfs/dbraw/zinc/24/42/03/823244203.db2.gz OIKDEVZNYKHGBR-ZDUSSCGKSA-N -1 1 383.766 4.095 20 30 GIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000122102784 823306846 /nfs/dbraw/zinc/30/68/46/823306846.db2.gz HRKYWAGBCFAUKP-ZDUSSCGKSA-N -1 1 375.819 4.107 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(C)cc1 ZINC000122124267 823309727 /nfs/dbraw/zinc/30/97/27/823309727.db2.gz XXGKJVDTOJFTPV-KRWDZBQOSA-N -1 1 383.455 4.120 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000024457723 819058894 /nfs/dbraw/zinc/05/88/94/819058894.db2.gz YBOJWODORIQKDM-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)cs1 ZINC000041534540 821206157 /nfs/dbraw/zinc/20/61/57/821206157.db2.gz DVIZYAODQAKUIK-MRXNPFEDSA-N -1 1 376.437 4.461 20 30 GIEDMM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ccc4c(c3)OCCO4)s2)nc(C)n1 ZINC000041574500 821212489 /nfs/dbraw/zinc/21/24/89/821212489.db2.gz OLBHIDUIIDZBPL-HNNXBMFYSA-N -1 1 391.452 4.083 20 30 GIEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000177997895 822276215 /nfs/dbraw/zinc/27/62/15/822276215.db2.gz GKKSXGNPYYGHGN-UHFFFAOYSA-N -1 1 378.734 4.170 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc([C@@H](C)C(F)(F)F)cc2)n1 ZINC000453625023 822395138 /nfs/dbraw/zinc/39/51/38/822395138.db2.gz GGJPFVJJIFBETG-MFKMUULPSA-N -1 1 396.390 4.476 20 30 GIEDMM CC1(C)CCC[C@@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000179377468 822473570 /nfs/dbraw/zinc/47/35/70/822473570.db2.gz CAHUHTMEBXBQCM-TZMCWYRMSA-N -1 1 383.517 4.256 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000179961179 822586040 /nfs/dbraw/zinc/58/60/40/822586040.db2.gz ONCZYGZEJVOASU-HEHGZKQESA-N -1 1 398.488 4.332 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000179961126 822586072 /nfs/dbraw/zinc/58/60/72/822586072.db2.gz ONCZYGZEJVOASU-ZENOOKHLSA-N -1 1 398.488 4.332 20 30 GIEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)s1 ZINC000180003538 822593828 /nfs/dbraw/zinc/59/38/28/822593828.db2.gz WVJCZOLBOYMIAV-UHFFFAOYSA-N -1 1 395.440 4.204 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)COC4)n2)cc1 ZINC000050206712 822721819 /nfs/dbraw/zinc/72/18/19/822721819.db2.gz GBFJSDVKGMDGSU-SFHVURJKSA-N -1 1 376.437 4.339 20 30 GIEDMM N#CC(=C([O-])c1cccc(NC(=O)NC2CC2)c1)c1nc2ccccc2s1 ZINC000054802154 822913761 /nfs/dbraw/zinc/91/37/61/822913761.db2.gz SMJUSQHQTISFBC-OAHLLOKOSA-N -1 1 376.441 4.070 20 30 GIEDMM CCOc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000054801804 822913868 /nfs/dbraw/zinc/91/38/68/822913868.db2.gz OCNHMDMBYSNFBE-HNNXBMFYSA-N -1 1 393.468 4.164 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(C(F)(F)F)c1 ZINC000055555605 822978281 /nfs/dbraw/zinc/97/82/81/822978281.db2.gz LVMIXSBEUXGUMW-UHFFFAOYSA-N -1 1 378.734 4.170 20 30 GIEDMM C=C[C@@](C)(CC)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412291267 823643331 /nfs/dbraw/zinc/64/33/31/823643331.db2.gz NQRIMXCCTOYSSY-ZDUSSCGKSA-N -1 1 377.076 4.458 20 30 GIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cccc(N2CCOC2=O)c1 ZINC000063556772 823679011 /nfs/dbraw/zinc/67/90/11/823679011.db2.gz XYLVOENXBXBQIG-GQCTYLIASA-N -1 1 388.217 4.007 20 30 GIEDMM Cc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000125932270 823747960 /nfs/dbraw/zinc/74/79/60/823747960.db2.gz IVJTUKHHVHBHDV-AWEZNQCLSA-N -1 1 397.887 4.315 20 30 GIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ncc(Br)s1 ZINC000192418519 823980852 /nfs/dbraw/zinc/98/08/52/823980852.db2.gz FXMNIRGBEHCGKT-SECBINFHSA-N -1 1 382.308 4.410 20 30 GIEDMM C=C(C)COc1cccc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c1 ZINC000171014558 824037556 /nfs/dbraw/zinc/03/75/56/824037556.db2.gz NPMZLIIMRXNAAB-UHFFFAOYSA-N -1 1 386.502 4.263 20 30 GIEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000571765562 823231692 /nfs/dbraw/zinc/23/16/92/823231692.db2.gz BIDYHECVMDZUPH-UHFFFAOYSA-N -1 1 388.449 4.020 20 30 GIEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)c1 ZINC000022959459 818880349 /nfs/dbraw/zinc/88/03/49/818880349.db2.gz XNJNEPLKNWKROX-UHFFFAOYSA-N -1 1 381.478 4.151 20 30 GIEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460452350 823394158 /nfs/dbraw/zinc/39/41/58/823394158.db2.gz GOBHHNQHUGAYEP-UHFFFAOYSA-N -1 1 387.505 4.092 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000410127638 823397644 /nfs/dbraw/zinc/39/76/44/823397644.db2.gz CCFQKHUQAPLHCS-QGZVFWFLSA-N -1 1 390.480 4.019 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)nn3C)n2)cc1 ZINC000177611351 823500537 /nfs/dbraw/zinc/50/05/37/823500537.db2.gz IDUSKQPZHKIMKQ-HNNXBMFYSA-N -1 1 380.473 4.166 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)cc2C)n1 ZINC000453628077 822395457 /nfs/dbraw/zinc/39/54/57/822395457.db2.gz MESHGBLEEPGMCR-LBPRGKRZSA-N -1 1 382.363 4.137 20 30 GIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1Cl ZINC000050534466 822733041 /nfs/dbraw/zinc/73/30/41/822733041.db2.gz FNHNOKGTAKNOLA-UHFFFAOYSA-N -1 1 385.832 4.200 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([S@@](C)=O)cc3)n2)cc1 ZINC000051150947 822748383 /nfs/dbraw/zinc/74/83/83/822748383.db2.gz FAHGMKBGHPPNOS-QLXKLKPCSA-N -1 1 380.494 4.346 20 30 GIEDMM CC(=O)N(c1nc(/C=C2/Oc3cc([O-])ccc3C2=O)cs1)c1ccc(F)cc1 ZINC000054897890 822920754 /nfs/dbraw/zinc/92/07/54/822920754.db2.gz DVIIDVBZNXVRJP-QGMBQPNBSA-N -1 1 396.399 4.289 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(C(F)(F)F)c1 ZINC000055567653 822980558 /nfs/dbraw/zinc/98/05/58/822980558.db2.gz JLOICBZBYYZEFC-UHFFFAOYSA-N -1 1 378.734 4.170 20 30 GIEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c2ccccc12 ZINC000055639953 822990854 /nfs/dbraw/zinc/99/08/54/822990854.db2.gz AXKJQJSBSVQIFD-UHFFFAOYSA-N -1 1 396.468 4.332 20 30 GIEDMM CC(=O)N(c1nc(/C=C2/Cc3cc([O-])ccc3C2=O)cs1)c1ccc(F)cc1 ZINC000187224683 823027349 /nfs/dbraw/zinc/02/73/49/823027349.db2.gz OSNZPUZDUFQNMW-ZROIWOOFSA-N -1 1 394.427 4.495 20 30 GIEDMM CC1(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CCCCC1 ZINC000125930150 823747064 /nfs/dbraw/zinc/74/70/64/823747064.db2.gz FYHZAXDPTUATTA-AWEZNQCLSA-N -1 1 383.517 4.400 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)c1 ZINC000064478363 823827208 /nfs/dbraw/zinc/82/72/08/823827208.db2.gz XBXKGBTWRIIPEQ-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc2cc(Cl)ccc2s1 ZINC000165625635 823855910 /nfs/dbraw/zinc/85/59/10/823855910.db2.gz IZRSUNRBZRYBTN-CQSZACIVSA-N -1 1 379.832 4.020 20 30 GIEDMM C=CCOc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000056772344 823210987 /nfs/dbraw/zinc/21/09/87/823210987.db2.gz WQHSPHZZUVZIKM-UHFFFAOYSA-N -1 1 380.444 4.084 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)c3oc(C)cc3C)nc2C)n[n-]c1=S ZINC000176565804 823238476 /nfs/dbraw/zinc/23/84/76/823238476.db2.gz VRAMIEXZHUVGIF-UHFFFAOYSA-N -1 1 375.479 4.021 20 30 GIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc(N2CCCC2=O)cc1 ZINC000018912447 818580335 /nfs/dbraw/zinc/58/03/35/818580335.db2.gz XNJNIZYRWQSRKD-YCRREMRBSA-N -1 1 386.245 4.178 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)c3cc(C)c(C)s3)n2)n[n-]c1=S ZINC000026043370 820052743 /nfs/dbraw/zinc/05/27/43/820052743.db2.gz BAUSDNXJAYHLAY-UHFFFAOYSA-N -1 1 391.547 4.105 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)CCC3CCCCC3)n2)n[n-]c1=S ZINC000026091831 820056945 /nfs/dbraw/zinc/05/69/45/820056945.db2.gz MKHJXQRFZIXGIQ-UHFFFAOYSA-N -1 1 391.566 4.473 20 30 GIEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000031435211 820810579 /nfs/dbraw/zinc/81/05/79/820810579.db2.gz SQSHKRKRUWRUCT-OAHLLOKOSA-N -1 1 391.500 4.055 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3cccnc3)c2)n1 ZINC000177761168 823521942 /nfs/dbraw/zinc/52/19/42/823521942.db2.gz DUQBLVJAVISINB-KRWDZBQOSA-N -1 1 390.468 4.404 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000177775221 823524228 /nfs/dbraw/zinc/52/42/28/823524228.db2.gz QEUXASLVAQYSIW-CQSZACIVSA-N -1 1 384.461 4.265 20 30 GIEDMM CC1(C)CCC[C@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000179377480 822473503 /nfs/dbraw/zinc/47/35/03/822473503.db2.gz CAHUHTMEBXBQCM-JSGCOSHPSA-N -1 1 383.517 4.256 20 30 GIEDMM N#C[C@@H](C(=O)CCC1CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707119 822507674 /nfs/dbraw/zinc/50/76/74/822507674.db2.gz RNTBOZUXGIJTDJ-HNNXBMFYSA-N -1 1 383.517 4.400 20 30 GIEDMM Cc1nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)ccc1C#N ZINC000179932042 822579322 /nfs/dbraw/zinc/57/93/22/822579322.db2.gz ZZYPOVVNWISDSN-UHFFFAOYSA-N -1 1 386.436 4.496 20 30 GIEDMM C=C(C)CN(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455771936 822723743 /nfs/dbraw/zinc/72/37/43/822723743.db2.gz OBFYBJHIABCQEG-UHFFFAOYSA-N -1 1 387.505 4.226 20 30 GIEDMM CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000186778102 822954002 /nfs/dbraw/zinc/95/40/02/822954002.db2.gz SCJFZALNXPXEEP-UHFFFAOYSA-N -1 1 388.851 4.403 20 30 GIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ncc(Br)s1 ZINC000192418521 823980975 /nfs/dbraw/zinc/98/09/75/823980975.db2.gz FXMNIRGBEHCGKT-VIFPVBQESA-N -1 1 382.308 4.410 20 30 GIEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)oc1C ZINC000057119692 823250980 /nfs/dbraw/zinc/25/09/80/823250980.db2.gz HFWNAOMUZTUBET-UHFFFAOYSA-N -1 1 387.848 4.284 20 30 GIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409871517 823331901 /nfs/dbraw/zinc/33/19/01/823331901.db2.gz FLXGBLWFTDXBKU-UHFFFAOYSA-N -1 1 395.396 4.060 20 30 GIEDMM Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122882533 823428441 /nfs/dbraw/zinc/42/84/41/823428441.db2.gz SFFSNYXPYDARSC-ZDUSSCGKSA-N -1 1 394.500 4.418 20 30 GIEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1Cl ZINC000027767539 820284147 /nfs/dbraw/zinc/28/41/47/820284147.db2.gz JOLRGCLGPRQBPQ-UHFFFAOYSA-N -1 1 399.299 4.018 20 30 GIEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c2ccccc12 ZINC000182278323 822183645 /nfs/dbraw/zinc/18/36/45/822183645.db2.gz XEENVHUJXWWHFM-UHFFFAOYSA-N -1 1 399.859 4.124 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c(Cl)c1 ZINC000183048407 822417267 /nfs/dbraw/zinc/41/72/67/822417267.db2.gz ZCUWSAAQQOKJDE-UHFFFAOYSA-N -1 1 378.734 4.170 20 30 GIEDMM CC1(C)CCC[C@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000179377460 822473419 /nfs/dbraw/zinc/47/34/19/822473419.db2.gz CAHUHTMEBXBQCM-GXTWGEPZSA-N -1 1 383.517 4.256 20 30 GIEDMM N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706940 822507693 /nfs/dbraw/zinc/50/76/93/822507693.db2.gz YEYHETLXCGPTCH-CYBMUJFWSA-N -1 1 383.860 4.419 20 30 GIEDMM C[C@@H](CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000046707214 822507735 /nfs/dbraw/zinc/50/77/35/822507735.db2.gz XFISRXLVOWMHIO-BBRMVZONSA-N -1 1 391.496 4.233 20 30 GIEDMM C[C@H](CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000046707216 822507744 /nfs/dbraw/zinc/50/77/44/822507744.db2.gz XFISRXLVOWMHIO-CJNGLKHVSA-N -1 1 391.496 4.233 20 30 GIEDMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050295282 822724266 /nfs/dbraw/zinc/72/42/66/822724266.db2.gz ZFTIQMFJPPYUHI-UHFFFAOYSA-N -1 1 399.413 4.466 20 30 GIEDMM Cc1c(=O)[n-]c(SCCCOc2cccc(C#N)c2)nc1-c1ccccc1 ZINC000185058164 822730437 /nfs/dbraw/zinc/73/04/37/822730437.db2.gz XHLRGOILXVUCQU-UHFFFAOYSA-N -1 1 377.469 4.178 20 30 GIEDMM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051155403 822748563 /nfs/dbraw/zinc/74/85/63/822748563.db2.gz ZGQLXQZGXCQHRY-HNNXBMFYSA-N -1 1 381.844 4.052 20 30 GIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1C(F)(F)F ZINC000174743006 822831309 /nfs/dbraw/zinc/83/13/09/822831309.db2.gz ZASMQTRHNDSZDS-UHFFFAOYSA-N -1 1 395.337 4.065 20 30 GIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)cc1 ZINC000055630003 822989711 /nfs/dbraw/zinc/98/97/11/822989711.db2.gz QGDUBFAGVKXUOW-UHFFFAOYSA-N -1 1 396.443 4.272 20 30 GIEDMM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2F)n1 ZINC000190976697 823633490 /nfs/dbraw/zinc/63/34/90/823633490.db2.gz BVWQQQGOYRWFCD-MRXNPFEDSA-N -1 1 385.402 4.062 20 30 GIEDMM C=C(C)C[C@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412281836 823642631 /nfs/dbraw/zinc/64/26/31/823642631.db2.gz ALUZHJFRORBSNN-QMMMGPOBSA-N -1 1 377.076 4.458 20 30 GIEDMM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188282599 823214120 /nfs/dbraw/zinc/21/41/20/823214120.db2.gz MTPINLJZTQZZKE-LLVKDONJSA-N -1 1 381.432 4.326 20 30 GIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000057125577 823251590 /nfs/dbraw/zinc/25/15/90/823251590.db2.gz SFHXXAJJSVWVGU-UHFFFAOYSA-N -1 1 389.436 4.331 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc(C)c(C)c3)n2)n[n-]c1=S ZINC000023041827 818891008 /nfs/dbraw/zinc/89/10/08/818891008.db2.gz VPAPXNMWTKUCPZ-UHFFFAOYSA-N -1 1 385.518 4.043 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000410139552 823400002 /nfs/dbraw/zinc/40/00/02/823400002.db2.gz LMDLYCDEDFBEHD-QGZVFWFLSA-N -1 1 390.480 4.019 20 30 GIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c2cccnc12 ZINC000573194641 823464231 /nfs/dbraw/zinc/46/42/31/823464231.db2.gz NACFDRMYSZAPGU-UHFFFAOYSA-N -1 1 391.374 4.235 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1 ZINC000031535055 820822630 /nfs/dbraw/zinc/82/26/30/820822630.db2.gz JSOIZRFAIYTDOX-UHFFFAOYSA-N -1 1 375.453 4.053 20 30 GIEDMM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000041495224 821198146 /nfs/dbraw/zinc/19/81/46/821198146.db2.gz JBFZRKUUOOQRRD-LBPRGKRZSA-N -1 1 390.424 4.268 20 30 GIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CCS2)c1nc2ccccc2s1 ZINC000041504214 821200657 /nfs/dbraw/zinc/20/06/57/821200657.db2.gz KIVMVEPZYCWHIE-LBPRGKRZSA-N -1 1 379.466 4.221 20 30 GIEDMM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ccc4c(c3)OCCO4)s2)nc(C)n1 ZINC000041574499 821212572 /nfs/dbraw/zinc/21/25/72/821212572.db2.gz OLBHIDUIIDZBPL-OAHLLOKOSA-N -1 1 391.452 4.083 20 30 GIEDMM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181898092 822030243 /nfs/dbraw/zinc/03/02/43/822030243.db2.gz OUECYWOOSRXSSS-UHFFFAOYSA-N -1 1 376.387 4.429 20 30 GIEDMM N#Cc1c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)sc2c1CCCC2 ZINC000178920737 822421914 /nfs/dbraw/zinc/42/19/14/822421914.db2.gz OFFMRMOEDFAKLB-UHFFFAOYSA-N -1 1 391.452 4.341 20 30 GIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ncc(Br)s1 ZINC000179091751 822437284 /nfs/dbraw/zinc/43/72/84/822437284.db2.gz QFZOOWVYUYXTKY-DUXPYHPUSA-N -1 1 389.068 4.270 20 30 GIEDMM C=C(C)C[C@@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000184348866 822620028 /nfs/dbraw/zinc/62/00/28/822620028.db2.gz NCFQTSWVJXWAPG-CQSZACIVSA-N -1 1 376.453 4.167 20 30 GIEDMM C=C(C)C[C@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000184348852 822620046 /nfs/dbraw/zinc/62/00/46/822620046.db2.gz NCFQTSWVJXWAPG-AWEZNQCLSA-N -1 1 376.453 4.167 20 30 GIEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174675965 822821854 /nfs/dbraw/zinc/82/18/54/822821854.db2.gz NFCIXVCBRGVBJB-UHFFFAOYSA-N -1 1 397.431 4.302 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000191569247 823701584 /nfs/dbraw/zinc/70/15/84/823701584.db2.gz AKQRLIRMHACJEB-UHFFFAOYSA-N -1 1 398.528 4.248 20 30 GIEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000007773462 817912738 /nfs/dbraw/zinc/91/27/38/817912738.db2.gz QCXDRIMMTQXEMM-UHFFFAOYSA-N -1 1 385.876 4.465 20 30 GIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000409868419 823330670 /nfs/dbraw/zinc/33/06/70/823330670.db2.gz DQOAUGYQUJTALH-UHFFFAOYSA-N -1 1 386.379 4.430 20 30 GIEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000022931471 818878543 /nfs/dbraw/zinc/87/85/43/818878543.db2.gz ODHMIQUNSJKNTF-INIZCTEOSA-N -1 1 398.532 4.179 20 30 GIEDMM CCOc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000122572165 823375003 /nfs/dbraw/zinc/37/50/03/823375003.db2.gz VTGVGDFUNKMIGS-GQCTYLIASA-N -1 1 377.780 4.257 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000024457652 819059104 /nfs/dbraw/zinc/05/91/04/819059104.db2.gz BQJBBDUFTIQIGC-UHFFFAOYSA-N -1 1 392.908 4.179 20 30 GIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)ccc1C(F)(F)F ZINC000410354937 823471613 /nfs/dbraw/zinc/47/16/13/823471613.db2.gz QQNMLJQWFPPIPW-UHFFFAOYSA-N -1 1 398.410 4.149 20 30 GIEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C#N)CCCC3)ccc2C)c1 ZINC000032062461 820892873 /nfs/dbraw/zinc/89/28/73/820892873.db2.gz KBBZDSYEMTUWDE-UHFFFAOYSA-N -1 1 397.500 4.127 20 30 GIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc(-c2ccccc2)cs1 ZINC000041537546 821206453 /nfs/dbraw/zinc/20/64/53/821206453.db2.gz RYLWCOKONQAOGF-CQSZACIVSA-N -1 1 391.477 4.344 20 30 GIEDMM Cc1cc(C)cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707050 822507765 /nfs/dbraw/zinc/50/77/65/822507765.db2.gz OKQANTACGAJOSW-HNNXBMFYSA-N -1 1 377.469 4.383 20 30 GIEDMM N#C[C@H](C(=O)c1ccc2c(c1)CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362044 822570767 /nfs/dbraw/zinc/57/07/67/822570767.db2.gz GJDNPHOAGZSWPK-MRXNPFEDSA-N -1 1 389.480 4.254 20 30 GIEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)sc1C ZINC000047363479 822571032 /nfs/dbraw/zinc/57/10/32/822571032.db2.gz RQRSJBVTMNAKGW-LBPRGKRZSA-N -1 1 383.498 4.032 20 30 GIEDMM N#Cc1c2c(sc1[N-]C(=O)c1cc(COc3ccccc3F)on1)CCC2 ZINC000184914793 822712358 /nfs/dbraw/zinc/71/23/58/822712358.db2.gz UZTJAOGARQWJCK-UHFFFAOYSA-N -1 1 383.404 4.067 20 30 GIEDMM C=CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455805016 822729387 /nfs/dbraw/zinc/72/93/87/822729387.db2.gz WNKRCBLCRJXVQS-MRXNPFEDSA-N -1 1 387.505 4.190 20 30 GIEDMM O=C(CCCOc1ccccc1Br)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266156 822752926 /nfs/dbraw/zinc/75/29/26/822752926.db2.gz AADTZKNMJXQNBP-UHFFFAOYSA-N -1 1 393.163 4.033 20 30 GIEDMM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000051534398 822764777 /nfs/dbraw/zinc/76/47/77/822764777.db2.gz BTEFRVJAYUNTRY-KRWDZBQOSA-N -1 1 389.436 4.257 20 30 GIEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1[O-] ZINC000457350519 822869449 /nfs/dbraw/zinc/86/94/49/822869449.db2.gz CSWQQUHAGMXAFN-QGZVFWFLSA-N -1 1 380.835 4.161 20 30 GIEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186716096 822943406 /nfs/dbraw/zinc/94/34/06/822943406.db2.gz PAYPDRMWQQMGTN-UHFFFAOYSA-N -1 1 390.823 4.181 20 30 GIEDMM Cc1cccc([C@H](C)C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000123842871 823544816 /nfs/dbraw/zinc/54/48/16/823544816.db2.gz BTECYXFMBULPIW-XJKSGUPXSA-N -1 1 391.496 4.152 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000060783722 823557028 /nfs/dbraw/zinc/55/70/28/823557028.db2.gz CTJOCBLZKPIHNS-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM C[C@@H]1[C@@H](C(=O)[N-][C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461095884 823576083 /nfs/dbraw/zinc/57/60/83/823576083.db2.gz FFBBZJKJQIFRDQ-UASFKTIASA-N -1 1 377.231 4.206 20 30 GIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000190539658 823584491 /nfs/dbraw/zinc/58/44/91/823584491.db2.gz BKESBKPDQOOHOK-HNNXBMFYSA-N -1 1 385.423 4.007 20 30 GIEDMM N#CC(=C([O-])c1ccccc1NC(=O)c1ccsc1)c1cnc2ccccc2n1 ZINC000190937626 823627101 /nfs/dbraw/zinc/62/71/01/823627101.db2.gz DYAGJLFRTJIYER-MRXNPFEDSA-N -1 1 398.447 4.434 20 30 GIEDMM N#CC(=C([O-])c1c2c(sc1-n1cccc1)CCC2)c1cnc2ccccc2n1 ZINC000190972597 823632764 /nfs/dbraw/zinc/63/27/64/823632764.db2.gz VICXCRDWKBTWTH-HNNXBMFYSA-N -1 1 384.464 4.461 20 30 GIEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000121073488 823113115 /nfs/dbraw/zinc/11/31/15/823113115.db2.gz IDVLLRJZSUQALC-MRXNPFEDSA-N -1 1 386.386 4.211 20 30 GIEDMM COc1cc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000005129832 817553252 /nfs/dbraw/zinc/55/32/52/817553252.db2.gz MWOLCWQZBTXSTB-GQCTYLIASA-N -1 1 392.205 4.276 20 30 GIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000016129068 818396028 /nfs/dbraw/zinc/39/60/28/818396028.db2.gz FHCJEZZOYSGZTD-UHFFFAOYSA-N -1 1 394.296 4.397 20 30 GIEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000058061539 823358572 /nfs/dbraw/zinc/35/85/72/823358572.db2.gz VWEYYASJGIGFBW-UHFFFAOYSA-N -1 1 392.480 4.070 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000410126742 823397744 /nfs/dbraw/zinc/39/77/44/823397744.db2.gz DELMZPKPSFJRPN-SFHVURJKSA-N -1 1 386.517 4.189 20 30 GIEDMM C=CCSc1ccccc1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000573047561 823439679 /nfs/dbraw/zinc/43/96/79/823439679.db2.gz QPYBDLAEOBZEEY-UHFFFAOYSA-N -1 1 383.445 4.129 20 30 GIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000026547590 820112046 /nfs/dbraw/zinc/11/20/46/820112046.db2.gz LOWSZTHPOUZSML-UHFFFAOYSA-N -1 1 384.379 4.187 20 30 GIEDMM COc1ccc(-c2nc(C(=O)[N-]c3nnc(C(F)(F)F)s3)cs2)cc1 ZINC000031565174 820826352 /nfs/dbraw/zinc/82/63/52/820826352.db2.gz DXNGMIFCCQOVFE-UHFFFAOYSA-N -1 1 386.380 4.325 20 30 GIEDMM O=C1/C(=C\c2ccc([O-])c(Cl)c2)COC/C1=C/c1ccc(O)c(Cl)c1 ZINC000123546889 823519942 /nfs/dbraw/zinc/51/99/42/823519942.db2.gz JYYLEHWCBDYLAF-GFIWHYBVSA-N -1 1 377.223 4.471 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1CC(C)C ZINC000179384903 822474897 /nfs/dbraw/zinc/47/48/97/822474897.db2.gz GESCXFILKJHIKV-ZDUSSCGKSA-N -1 1 385.418 4.336 20 30 GIEDMM CCc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)sc1C ZINC000046707302 822507638 /nfs/dbraw/zinc/50/76/38/822507638.db2.gz ZXDSOLYTBWFGTA-CYBMUJFWSA-N -1 1 397.525 4.286 20 30 GIEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000046707113 822507680 /nfs/dbraw/zinc/50/76/80/822507680.db2.gz LRXCFHHFKSAZBK-OAHLLOKOSA-N -1 1 377.469 4.383 20 30 GIEDMM CCc1sc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000046707296 822507810 /nfs/dbraw/zinc/50/78/10/822507810.db2.gz YKZCQSXNGHSYGK-LBPRGKRZSA-N -1 1 397.525 4.286 20 30 GIEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC2(C#N)CCCC2)cc1 ZINC000183864149 822537741 /nfs/dbraw/zinc/53/77/41/822537741.db2.gz BYICMXHZVNWQFY-UHFFFAOYSA-N -1 1 398.484 4.037 20 30 GIEDMM N#C[C@H](C(=O)CCCc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817521 822684449 /nfs/dbraw/zinc/68/44/49/822684449.db2.gz IHIKEZZBRFGEES-MRXNPFEDSA-N -1 1 391.496 4.063 20 30 GIEDMM C=CCCN(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455796787 822728238 /nfs/dbraw/zinc/72/82/38/822728238.db2.gz QKWSXKASYOXCRL-UHFFFAOYSA-N -1 1 387.505 4.144 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000060624865 823549084 /nfs/dbraw/zinc/54/90/84/823549084.db2.gz XOZWVIOJGWUKJE-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1 ZINC000060738743 823554841 /nfs/dbraw/zinc/55/48/41/823554841.db2.gz BXINVZNMJIYQRV-UHFFFAOYSA-N -1 1 392.415 4.041 20 30 GIEDMM N#CC(=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1)c1cnc2ccccc2n1 ZINC000190930342 823626167 /nfs/dbraw/zinc/62/61/67/823626167.db2.gz CDNRGCKYFDZEDZ-LJQANCHMSA-N -1 1 392.418 4.372 20 30 GIEDMM N#CC(=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1)c1cnc2ccccc2n1 ZINC000190961108 823630829 /nfs/dbraw/zinc/63/08/29/823630829.db2.gz ARUDHTIEYRDMOY-MRXNPFEDSA-N -1 1 381.395 4.047 20 30 GIEDMM CC(C)c1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000125048199 823647936 /nfs/dbraw/zinc/64/79/36/823647936.db2.gz BTZWEGOVDQUTAP-MRXNPFEDSA-N -1 1 390.468 4.290 20 30 GIEDMM CC1(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CCCCC1 ZINC000125929930 823747086 /nfs/dbraw/zinc/74/70/86/823747086.db2.gz FYHZAXDPTUATTA-CQSZACIVSA-N -1 1 383.517 4.400 20 30 GIEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714658 823869702 /nfs/dbraw/zinc/86/97/02/823869702.db2.gz QAZGQFUMARVRJV-GFCCVEGCSA-N -1 1 398.394 4.069 20 30 GIEDMM N#CC(=C([O-])c1cc2sc(N3CCCC3)nc2s1)c1nc2ccccc2[nH]1 ZINC000571350126 823169281 /nfs/dbraw/zinc/16/92/81/823169281.db2.gz TYUPWDQCCNVRLE-NSHDSACASA-N -1 1 393.497 4.324 20 30 GIEDMM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188282624 823214071 /nfs/dbraw/zinc/21/40/71/823214071.db2.gz MTPINLJZTQZZKE-NSHDSACASA-N -1 1 381.432 4.326 20 30 GIEDMM C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000023388668 818932336 /nfs/dbraw/zinc/93/23/36/818932336.db2.gz FUUWEBIKVUBQIE-UHFFFAOYSA-N -1 1 390.464 4.029 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000410123801 823397001 /nfs/dbraw/zinc/39/70/01/823397001.db2.gz QRMDYFAECUNXGV-INIZCTEOSA-N -1 1 390.480 4.019 20 30 GIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000026547864 820112616 /nfs/dbraw/zinc/11/26/16/820112616.db2.gz RTSJEJWOVMYPJX-UHFFFAOYSA-N -1 1 379.279 4.051 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000177756186 823521418 /nfs/dbraw/zinc/52/14/18/823521418.db2.gz ZDBUOQCAQJVHFG-INIZCTEOSA-N -1 1 383.517 4.419 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1cccc(Cl)c1 ZINC000041494404 821198123 /nfs/dbraw/zinc/19/81/23/821198123.db2.gz CENMTIUYINTTSM-OAHLLOKOSA-N -1 1 375.819 4.201 20 30 GIEDMM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496048 821199228 /nfs/dbraw/zinc/19/92/28/821199228.db2.gz ZCCIDXKUNLZGGT-HNNXBMFYSA-N -1 1 376.416 4.400 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(NC(N)=O)cc3)n2)cc1 ZINC000041512237 821201918 /nfs/dbraw/zinc/20/19/18/821201918.db2.gz RXVBSXZQDPQRAW-INIZCTEOSA-N -1 1 376.441 4.099 20 30 GIEDMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)nc1 ZINC000181255649 821720942 /nfs/dbraw/zinc/72/09/42/821720942.db2.gz JHEDNLAUPIQVTK-UHFFFAOYSA-N -1 1 388.264 4.059 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)COC4)n2)cc1 ZINC000050206713 822721828 /nfs/dbraw/zinc/72/18/28/822721828.db2.gz GBFJSDVKGMDGSU-GOSISDBHSA-N -1 1 376.437 4.339 20 30 GIEDMM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2nnc(-c3ccco3)s2)o1 ZINC000051015790 822744117 /nfs/dbraw/zinc/74/41/17/822744117.db2.gz NNUHWLWGHKMPDV-UHFFFAOYSA-N -1 1 392.396 4.478 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(NC(N)=O)c3)n2)cc1 ZINC000051150907 822748451 /nfs/dbraw/zinc/74/84/51/822748451.db2.gz GTEBWPXUBOOMEW-INIZCTEOSA-N -1 1 376.441 4.099 20 30 GIEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)s1 ZINC000061110704 823578756 /nfs/dbraw/zinc/57/87/56/823578756.db2.gz MUXWLBPOLXHKMY-ZDUSSCGKSA-N -1 1 383.498 4.032 20 30 GIEDMM N#CC(=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1)c1cnc2ccccc2n1 ZINC000190961124 823630930 /nfs/dbraw/zinc/63/09/30/823630930.db2.gz ARUDHTIEYRDMOY-INIZCTEOSA-N -1 1 381.395 4.047 20 30 GIEDMM Cc1c(Cl)cncc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000459296029 823157681 /nfs/dbraw/zinc/15/76/81/823157681.db2.gz MPLBEZBALURJRP-LLVKDONJSA-N -1 1 398.875 4.123 20 30 GIEDMM Cc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nn1-c1ccccc1C(C)C ZINC000571681601 823218203 /nfs/dbraw/zinc/21/82/03/823218203.db2.gz ORBVSNKBANNYAI-QGZVFWFLSA-N -1 1 398.470 4.374 20 30 GIEDMM CCCNc1ccc(C#N)cc1NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000176633705 823253852 /nfs/dbraw/zinc/25/38/52/823253852.db2.gz ZWFPINOELZVDRJ-UHFFFAOYSA-N -1 1 398.517 4.001 20 30 GIEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)sc1Br ZINC000122815012 823417293 /nfs/dbraw/zinc/41/72/93/823417293.db2.gz FLRYTWWDAIJZSS-UHFFFAOYSA-N -1 1 391.699 4.145 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)n[n-]c1=S ZINC000026042551 820052527 /nfs/dbraw/zinc/05/25/27/820052527.db2.gz SJGVKWIOUGRTKT-CYBMUJFWSA-N -1 1 399.545 4.306 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1C(F)(F)F ZINC000177621380 823502875 /nfs/dbraw/zinc/50/28/75/823502875.db2.gz NCCOPMSSWJJBRQ-UHFFFAOYSA-N -1 1 393.346 4.033 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)c1 ZINC000032596835 820975249 /nfs/dbraw/zinc/97/52/49/820975249.db2.gz UCXMVYATAVYKJV-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc(-c2ccccc2)cs1 ZINC000041537538 821206435 /nfs/dbraw/zinc/20/64/35/821206435.db2.gz RYLWCOKONQAOGF-AWEZNQCLSA-N -1 1 391.477 4.344 20 30 GIEDMM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(Cl)cc1Cl ZINC000179643722 822518699 /nfs/dbraw/zinc/51/86/99/822518699.db2.gz WSCIHBWFRATJOK-UHFFFAOYSA-N -1 1 376.652 4.023 20 30 GIEDMM Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000047359182 822570479 /nfs/dbraw/zinc/57/04/79/822570479.db2.gz KQLLRAKUCJRXJN-LBPRGKRZSA-N -1 1 380.473 4.408 20 30 GIEDMM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455775160 822724184 /nfs/dbraw/zinc/72/41/84/822724184.db2.gz QUZDEUCEDOETEB-LJQANCHMSA-N -1 1 399.516 4.368 20 30 GIEDMM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000051534400 822764881 /nfs/dbraw/zinc/76/48/81/822764881.db2.gz BTEFRVJAYUNTRY-QGZVFWFLSA-N -1 1 389.436 4.257 20 30 GIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC[C@H]2C)cc1C ZINC000185629039 822804116 /nfs/dbraw/zinc/80/41/16/822804116.db2.gz APPCMEQJPQXQHU-MRXNPFEDSA-N -1 1 399.516 4.055 20 30 GIEDMM N#Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000123948310 823554327 /nfs/dbraw/zinc/55/43/27/823554327.db2.gz HYCNYGJDVDTMCK-UHFFFAOYSA-N -1 1 383.835 4.044 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000191570450 823701814 /nfs/dbraw/zinc/70/18/14/823701814.db2.gz UAQPWFPDQSVLJQ-UHFFFAOYSA-N -1 1 390.480 4.437 20 30 GIEDMM N#Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000016147447 207073657 /nfs/dbraw/zinc/07/36/57/207073657.db2.gz BDNREHOMEDWIDH-UHFFFAOYSA-N -1 1 394.296 4.397 20 30 GIEDMM CCc1cc2c(CNc3cccc(OCCCC#N)c3)cc(=O)oc2cc1[O-] ZINC000056199807 823101420 /nfs/dbraw/zinc/10/14/20/823101420.db2.gz HUAWVOALLFJKOR-UHFFFAOYSA-N -1 1 378.428 4.356 20 30 GIEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000121073324 823113220 /nfs/dbraw/zinc/11/32/20/823113220.db2.gz IDVLLRJZSUQALC-INIZCTEOSA-N -1 1 386.386 4.211 20 30 GIEDMM N#CC(=C([O-])c1cc2sc(N3CCCC3)nc2s1)c1nc2ccccc2[nH]1 ZINC000571350124 823169291 /nfs/dbraw/zinc/16/92/91/823169291.db2.gz TYUPWDQCCNVRLE-LLVKDONJSA-N -1 1 393.497 4.324 20 30 GIEDMM Cc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nn1-c1ccccc1C(C)C ZINC000571681599 823218237 /nfs/dbraw/zinc/21/82/37/823218237.db2.gz ORBVSNKBANNYAI-KRWDZBQOSA-N -1 1 398.470 4.374 20 30 GIEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccoc1C ZINC000006911429 817724691 /nfs/dbraw/zinc/72/46/91/817724691.db2.gz UXQPBJWNFCJOKV-UHFFFAOYSA-N -1 1 395.440 4.137 20 30 GIEDMM C[C@@H](C#N)Sc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000017536797 818519612 /nfs/dbraw/zinc/51/96/12/818519612.db2.gz KFCLBQOZTCSDTI-JTQLQIEISA-N -1 1 393.877 4.286 20 30 GIEDMM CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189085602 823354813 /nfs/dbraw/zinc/35/48/13/823354813.db2.gz YMRWGPROSFCMDK-UHFFFAOYSA-N -1 1 396.834 4.018 20 30 GIEDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000022931474 818878558 /nfs/dbraw/zinc/87/85/58/818878558.db2.gz ODHMIQUNSJKNTF-MRXNPFEDSA-N -1 1 398.532 4.179 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c(Cl)c1 ZINC000410415666 823490641 /nfs/dbraw/zinc/49/06/41/823490641.db2.gz ALNJRPYFAYRVBB-UHFFFAOYSA-N -1 1 379.627 4.458 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@](C)=O)c3)n2)cc1 ZINC000041512560 821202299 /nfs/dbraw/zinc/20/22/99/821202299.db2.gz UGDUUUFFRDEKHR-XRHLQHRESA-N -1 1 394.521 4.487 20 30 GIEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514305 821203097 /nfs/dbraw/zinc/20/30/97/821203097.db2.gz ORKHPMAALHGUSB-OAHLLOKOSA-N -1 1 396.859 4.444 20 30 GIEDMM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000182031452 822068026 /nfs/dbraw/zinc/06/80/26/822068026.db2.gz UOSUJMGFHXWJDI-UHFFFAOYSA-N -1 1 378.350 4.370 20 30 GIEDMM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000182853180 822379281 /nfs/dbraw/zinc/37/92/81/822379281.db2.gz IJQGRYVQGIHKMA-CQSZACIVSA-N -1 1 393.353 4.280 20 30 GIEDMM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000182853202 822379426 /nfs/dbraw/zinc/37/94/26/822379426.db2.gz IJQGRYVQGIHKMA-AWEZNQCLSA-N -1 1 393.353 4.280 20 30 GIEDMM CCOc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707065 822507822 /nfs/dbraw/zinc/50/78/22/822507822.db2.gz RFSMGYNSSLEGHB-HNNXBMFYSA-N -1 1 393.468 4.164 20 30 GIEDMM N#C[C@@H](C(=O)c1ccc2c(c1)CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362046 822570781 /nfs/dbraw/zinc/57/07/81/822570781.db2.gz GJDNPHOAGZSWPK-INIZCTEOSA-N -1 1 389.480 4.254 20 30 GIEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)sc1C ZINC000047363477 822570937 /nfs/dbraw/zinc/57/09/37/822570937.db2.gz RQRSJBVTMNAKGW-GFCCVEGCSA-N -1 1 383.498 4.032 20 30 GIEDMM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(-c4ccc(C)cc4)cs3)cc12 ZINC000051151866 822748438 /nfs/dbraw/zinc/74/84/38/822748438.db2.gz CLXDIEOTGTZNQL-KRWDZBQOSA-N -1 1 387.468 4.199 20 30 GIEDMM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(-c4ccc(C)cc4)cs3)cc12 ZINC000051151868 822748459 /nfs/dbraw/zinc/74/84/59/822748459.db2.gz CLXDIEOTGTZNQL-QGZVFWFLSA-N -1 1 387.468 4.199 20 30 GIEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000569752239 822963591 /nfs/dbraw/zinc/96/35/91/822963591.db2.gz OLJHIUYKSKFDIT-UHFFFAOYSA-N -1 1 397.481 4.268 20 30 GIEDMM N#CCCCOc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000055569338 822980843 /nfs/dbraw/zinc/98/08/43/822980843.db2.gz NDEHKNOKGIJBSC-UHFFFAOYSA-N -1 1 375.222 4.090 20 30 GIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)cc1F ZINC000055588304 822982788 /nfs/dbraw/zinc/98/27/88/822982788.db2.gz DHYCCZNCOLSBTM-UHFFFAOYSA-N -1 1 397.431 4.302 20 30 GIEDMM Cc1cccc([C@H](C)C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000123843243 823544973 /nfs/dbraw/zinc/54/49/73/823544973.db2.gz BTECYXFMBULPIW-BBRMVZONSA-N -1 1 391.496 4.152 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cc1 ZINC000060738741 823554762 /nfs/dbraw/zinc/55/47/62/823554762.db2.gz HWRNKXAQGAMULT-UHFFFAOYSA-N -1 1 392.415 4.041 20 30 GIEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190291086 823559556 /nfs/dbraw/zinc/55/95/56/823559556.db2.gz NNKLOYFIGIGFPW-CQSZACIVSA-N -1 1 386.498 4.114 20 30 GIEDMM N#CC(=C([O-])c1ccnc(OCc2ccccc2)c1)c1cnc2ccccc2n1 ZINC000190978470 823633673 /nfs/dbraw/zinc/63/36/73/823633673.db2.gz WEFJIFQOUZQFSJ-GOSISDBHSA-N -1 1 380.407 4.094 20 30 GIEDMM N#C[C@H](C(=O)c1csc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000191372567 823678048 /nfs/dbraw/zinc/67/80/48/823678048.db2.gz NVEDKDHLDJRFFZ-SNVBAGLBSA-N -1 1 389.889 4.068 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000191568075 823701379 /nfs/dbraw/zinc/70/13/79/823701379.db2.gz TYXSMWNOJSZRGX-UHFFFAOYSA-N -1 1 398.528 4.248 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000191569602 823701606 /nfs/dbraw/zinc/70/16/06/823701606.db2.gz RVLZRTIFXGTLSK-UHFFFAOYSA-N -1 1 390.461 4.256 20 30 GIEDMM Cc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000125932031 823747400 /nfs/dbraw/zinc/74/74/00/823747400.db2.gz IVJTUKHHVHBHDV-CQSZACIVSA-N -1 1 397.887 4.315 20 30 GIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000409876078 823333116 /nfs/dbraw/zinc/33/31/16/823333116.db2.gz TZCNYWSKTRTBGV-UHFFFAOYSA-N -1 1 386.379 4.430 20 30 GIEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc(OC)c1OC ZINC000016407793 818438185 /nfs/dbraw/zinc/43/81/85/818438185.db2.gz KXRRMBDDRBRVEP-GQCTYLIASA-N -1 1 393.233 4.077 20 30 GIEDMM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000022409035 818802801 /nfs/dbraw/zinc/80/28/01/818802801.db2.gz BPLWLCPNLVFKTK-UHFFFAOYSA-N -1 1 390.464 4.029 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000410125947 823397310 /nfs/dbraw/zinc/39/73/10/823397310.db2.gz SFMCESGROQDSNO-SFHVURJKSA-N -1 1 386.517 4.189 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000410125946 823397420 /nfs/dbraw/zinc/39/74/20/823397420.db2.gz SFMCESGROQDSNO-GOSISDBHSA-N -1 1 386.517 4.189 20 30 GIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000026547645 820111990 /nfs/dbraw/zinc/11/19/90/820111990.db2.gz SGCPZCJNIFMJHZ-UHFFFAOYSA-N -1 1 379.279 4.051 20 30 GIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1OCC ZINC000026547945 820112510 /nfs/dbraw/zinc/11/25/10/820112510.db2.gz NFKBLCHBKSTNRO-UHFFFAOYSA-N -1 1 388.489 4.086 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)nn3C)n2)cc1 ZINC000177611344 823500574 /nfs/dbraw/zinc/50/05/74/823500574.db2.gz IDUSKQPZHKIMKQ-OAHLLOKOSA-N -1 1 380.473 4.166 20 30 GIEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc(C)c1F ZINC000460825034 823522953 /nfs/dbraw/zinc/52/29/53/823522953.db2.gz UBPOIIBAWVEFDI-LBPRGKRZSA-N -1 1 378.494 4.495 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)CCCc3ccccc3)n2)n[n-]c1=S ZINC000047078346 822543000 /nfs/dbraw/zinc/54/30/00/822543000.db2.gz BCFZTBKMMWFJAX-UHFFFAOYSA-N -1 1 399.545 4.135 20 30 GIEDMM Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1 ZINC000047362643 822570737 /nfs/dbraw/zinc/57/07/37/822570737.db2.gz XIHCSMBPAXEJLO-HNNXBMFYSA-N -1 1 377.469 4.383 20 30 GIEDMM C=C(C)CN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000455795747 822728097 /nfs/dbraw/zinc/72/80/97/822728097.db2.gz PPIWANMWHSAKOD-UHFFFAOYSA-N -1 1 387.505 4.144 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([S@@](C)=O)cc3)n2)cc1 ZINC000051150949 822748413 /nfs/dbraw/zinc/74/84/13/822748413.db2.gz FAHGMKBGHPPNOS-QUGAMOGWSA-N -1 1 380.494 4.346 20 30 GIEDMM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190757386 823605481 /nfs/dbraw/zinc/60/54/81/823605481.db2.gz IKYWDBOPWDFSEX-UHFFFAOYSA-N -1 1 385.398 4.117 20 30 GIEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)cc1Br ZINC000190989891 823635620 /nfs/dbraw/zinc/63/56/20/823635620.db2.gz CJVLHXKCYOESNV-AWEZNQCLSA-N -1 1 380.245 4.499 20 30 GIEDMM C=C[C@](C)(CC)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412291265 823643391 /nfs/dbraw/zinc/64/33/91/823643391.db2.gz NQRIMXCCTOYSSY-CYBMUJFWSA-N -1 1 377.076 4.458 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)cc1 ZINC000409869623 823331378 /nfs/dbraw/zinc/33/13/78/823331378.db2.gz JOVOLMIMLRTPLN-UHFFFAOYSA-N -1 1 376.865 4.334 20 30 GIEDMM Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000024941418 819898108 /nfs/dbraw/zinc/89/81/08/819898108.db2.gz MJEJITUIXLFBDR-UHFFFAOYSA-N -1 1 392.358 4.385 20 30 GIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(Br)c1 ZINC000026547563 820112002 /nfs/dbraw/zinc/11/20/02/820112002.db2.gz UAVYQCVGQWQQJG-UHFFFAOYSA-N -1 1 393.306 4.360 20 30 GIEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000026547956 820112732 /nfs/dbraw/zinc/11/27/32/820112732.db2.gz AFLJTGGBJWNDQD-UHFFFAOYSA-N -1 1 393.306 4.360 20 30 GIEDMM O=S(=O)([N-]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1F ZINC000026877410 820157020 /nfs/dbraw/zinc/15/70/20/820157020.db2.gz YLATUKRUJULLTA-RKDXNWHRSA-N -1 1 393.324 4.014 20 30 GIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177620775 823502724 /nfs/dbraw/zinc/50/27/24/823502724.db2.gz USKOLKXTJHTOSP-UHFFFAOYSA-N -1 1 393.390 4.179 20 30 GIEDMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177622353 823503099 /nfs/dbraw/zinc/50/30/99/823503099.db2.gz ZPGONHXCJYRMJA-NSHDSACASA-N -1 1 384.379 4.085 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc3c(c(Br)c2)OCO3)n1 ZINC000177745347 823519613 /nfs/dbraw/zinc/51/96/13/823519613.db2.gz YHFVTVANFVVRPO-SNVBAGLBSA-N -1 1 393.262 4.248 20 30 GIEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc(C)c1F ZINC000460825033 823522988 /nfs/dbraw/zinc/52/29/88/823522988.db2.gz UBPOIIBAWVEFDI-GFCCVEGCSA-N -1 1 378.494 4.495 20 30 GIEDMM COCCOCc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1F ZINC000177769689 823523540 /nfs/dbraw/zinc/52/35/40/823523540.db2.gz HFRQTYQCNNQUON-HNNXBMFYSA-N -1 1 376.453 4.059 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000041515295 821203227 /nfs/dbraw/zinc/20/32/27/821203227.db2.gz ZLOZPDWYIWHXLN-KRWDZBQOSA-N -1 1 379.416 4.333 20 30 GIEDMM CCc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707105 822507663 /nfs/dbraw/zinc/50/76/63/822507663.db2.gz PGGKNOYMLJOFQX-HNNXBMFYSA-N -1 1 377.469 4.328 20 30 GIEDMM N#C[C@@H](C(=O)c1cc2ccccc2o1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707208 822507778 /nfs/dbraw/zinc/50/77/78/822507778.db2.gz BITAZROIZYLCIW-ZDUSSCGKSA-N -1 1 389.436 4.100 20 30 GIEDMM N#C[C@@H](C(=O)c1cc(F)cc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707268 822507834 /nfs/dbraw/zinc/50/78/34/822507834.db2.gz UQLVRZYNGKFYMI-ZDUSSCGKSA-N -1 1 385.395 4.044 20 30 GIEDMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050295280 822724280 /nfs/dbraw/zinc/72/42/80/822724280.db2.gz SWGNWXLHJPKMTB-UHFFFAOYSA-N -1 1 399.413 4.466 20 30 GIEDMM C=C(C)CCNC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455797328 822728386 /nfs/dbraw/zinc/72/83/86/822728386.db2.gz QSBRVUDTBHQRMH-UHFFFAOYSA-N -1 1 387.505 4.192 20 30 GIEDMM CCOc1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000186848662 822966935 /nfs/dbraw/zinc/96/69/35/822966935.db2.gz GJHPMOTVKRCAFY-UHFFFAOYSA-N -1 1 397.780 4.245 20 30 GIEDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)c1 ZINC000055630013 822989772 /nfs/dbraw/zinc/98/97/72/822989772.db2.gz UEDROWQNXXINER-UHFFFAOYSA-N -1 1 392.480 4.441 20 30 GIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000055640145 822990802 /nfs/dbraw/zinc/99/08/02/822990802.db2.gz RGMFOYPKSDWILG-UHFFFAOYSA-N -1 1 384.379 4.189 20 30 GIEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000063181227 823654648 /nfs/dbraw/zinc/65/46/48/823654648.db2.gz SYQGHBVHTLVDLU-UHFFFAOYSA-N -1 1 391.880 4.060 20 30 GIEDMM Cc1ccc(NC(=O)CCCC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000462296790 823915463 /nfs/dbraw/zinc/91/54/63/823915463.db2.gz KFOBITQGXXWDQO-UHFFFAOYSA-N -1 1 391.880 4.082 20 30 GIEDMM N#Cc1cnc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000171069757 824055743 /nfs/dbraw/zinc/05/57/43/824055743.db2.gz MWTMMOIVMNBVBD-UHFFFAOYSA-N -1 1 398.875 4.020 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)CCSCCCC)nc2C)n[n-]c1=S ZINC000121792559 823252565 /nfs/dbraw/zinc/25/25/65/823252565.db2.gz JDAAILVHWKHRLB-UHFFFAOYSA-N -1 1 397.595 4.421 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(OC)c(F)c3)n2)cc1 ZINC000121853216 823263323 /nfs/dbraw/zinc/26/33/23/823263323.db2.gz PXVPYHVABMILBN-HNNXBMFYSA-N -1 1 382.416 4.456 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)c1 ZINC000409872035 823331881 /nfs/dbraw/zinc/33/18/81/823331881.db2.gz UOJASKOHWZWCPH-UHFFFAOYSA-N -1 1 376.865 4.334 20 30 GIEDMM C=CCN(Cc1cccc(C#N)c1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058206592 823368679 /nfs/dbraw/zinc/36/86/79/823368679.db2.gz CYUQUSQEQWKUGO-UHFFFAOYSA-N -1 1 381.530 4.110 20 30 GIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189261443 823382947 /nfs/dbraw/zinc/38/29/47/823382947.db2.gz HQRQASWYWVJWDC-UHFFFAOYSA-N -1 1 398.406 4.275 20 30 GIEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410417019 823491018 /nfs/dbraw/zinc/49/10/18/823491018.db2.gz FYUHMMQNUWISBH-UHFFFAOYSA-N -1 1 379.627 4.458 20 30 GIEDMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177622365 823503047 /nfs/dbraw/zinc/50/30/47/823503047.db2.gz ZPGONHXCJYRMJA-LLVKDONJSA-N -1 1 384.379 4.085 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(I)cc2)n1 ZINC000177756516 823521452 /nfs/dbraw/zinc/52/14/52/823521452.db2.gz SEPBWYVQTZWJSE-GFCCVEGCSA-N -1 1 396.253 4.361 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000177756197 823521499 /nfs/dbraw/zinc/52/14/99/823521499.db2.gz ZDBUOQCAQJVHFG-MRXNPFEDSA-N -1 1 383.517 4.419 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000041494723 821198476 /nfs/dbraw/zinc/19/84/76/821198476.db2.gz NSAGPXSYZJKOKA-HNNXBMFYSA-N -1 1 375.819 4.201 20 30 GIEDMM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)s1)c1nnc2n1CCCCC2 ZINC000041509345 821201217 /nfs/dbraw/zinc/20/12/17/821201217.db2.gz MHWLAUYIDIOSPA-HNNXBMFYSA-N -1 1 380.448 4.362 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc([C@@H](C)C(F)(F)F)cc2)n1 ZINC000453625024 822395016 /nfs/dbraw/zinc/39/50/16/822395016.db2.gz GGJPFVJJIFBETG-ZWNOBZJWSA-N -1 1 396.390 4.476 20 30 GIEDMM CCc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)sc1C ZINC000046707304 822508024 /nfs/dbraw/zinc/50/80/24/822508024.db2.gz ZXDSOLYTBWFGTA-ZDUSSCGKSA-N -1 1 397.525 4.286 20 30 GIEDMM N#Cc1ccc(NCc2cccc(Br)c2[O-])c(Br)c1 ZINC000048796351 822683757 /nfs/dbraw/zinc/68/37/57/822683757.db2.gz YKEVNZLQGDJASM-UHFFFAOYSA-N -1 1 382.055 4.401 20 30 GIEDMM C=CC1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000455776060 822724368 /nfs/dbraw/zinc/72/43/68/822724368.db2.gz RTFAHVABRXVLBM-UHFFFAOYSA-N -1 1 399.516 4.226 20 30 GIEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1F ZINC000050821540 822739669 /nfs/dbraw/zinc/73/96/69/822739669.db2.gz IEWZJAYCVOAIJM-CYBMUJFWSA-N -1 1 381.432 4.213 20 30 GIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000052028211 822788466 /nfs/dbraw/zinc/78/84/66/822788466.db2.gz JAJRLMXSBYGQNM-UHFFFAOYSA-N -1 1 383.483 4.272 20 30 GIEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1[O-] ZINC000457350508 822869649 /nfs/dbraw/zinc/86/96/49/822869649.db2.gz CSWQQUHAGMXAFN-KRWDZBQOSA-N -1 1 380.835 4.161 20 30 GIEDMM N#C[C@@H](C(=O)CC1CCCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000175089450 822880284 /nfs/dbraw/zinc/88/02/84/822880284.db2.gz XJPURASKHAESPM-HNNXBMFYSA-N -1 1 383.517 4.400 20 30 GIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)c1 ZINC000055664283 822996123 /nfs/dbraw/zinc/99/61/23/822996123.db2.gz ADDCYENBYUQLFF-UHFFFAOYSA-N -1 1 392.480 4.441 20 30 GIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c(C)c1 ZINC000170975729 824025435 /nfs/dbraw/zinc/02/54/35/824025435.db2.gz DALIGBFBMIEIAY-UHFFFAOYSA-N -1 1 376.503 4.200 20 30 GIEDMM CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187911484 823157028 /nfs/dbraw/zinc/15/70/28/823157028.db2.gz XTHUWADOUXUPCG-UHFFFAOYSA-N -1 1 389.455 4.404 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)c3cccc4[nH]ccc43)nc2C)n[n-]c1=S ZINC000176262636 823166378 /nfs/dbraw/zinc/16/63/78/823166378.db2.gz WYMAFAKLUSSYTP-UHFFFAOYSA-N -1 1 396.501 4.292 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)c3ccc(C)cc3F)nc2C)n[n-]c1=S ZINC000176565738 823238402 /nfs/dbraw/zinc/23/84/02/823238402.db2.gz FXGFZQCZFPYYJK-UHFFFAOYSA-N -1 1 389.481 4.258 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cc(C)ccc1C ZINC000121867001 823266401 /nfs/dbraw/zinc/26/64/01/823266401.db2.gz TXUQGUIUTNIFDE-KRWDZBQOSA-N -1 1 383.455 4.174 20 30 GIEDMM C=CCC1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000188715425 823291616 /nfs/dbraw/zinc/29/16/16/823291616.db2.gz WBUDGAVYZMOIAP-UHFFFAOYSA-N -1 1 384.501 4.481 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cccc(Cl)c1 ZINC000122120748 823309077 /nfs/dbraw/zinc/30/90/77/823309077.db2.gz XPNVMIKXBBWHIB-INIZCTEOSA-N -1 1 389.846 4.211 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000410115017 823395526 /nfs/dbraw/zinc/39/55/26/823395526.db2.gz DREPFMSWLUYOMG-SFHVURJKSA-N -1 1 386.517 4.189 20 30 GIEDMM CSc1nc(C)c(CCC(=O)Nc2scc(C(C)(C)C)c2C#N)c(=O)[n-]1 ZINC000410926971 823522610 /nfs/dbraw/zinc/52/26/10/823522610.db2.gz JMROXOPAMMVLSM-UHFFFAOYSA-N -1 1 390.534 4.015 20 30 GIEDMM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c1C#N ZINC000123755312 823537801 /nfs/dbraw/zinc/53/78/01/823537801.db2.gz PGPACTRWRHHMHQ-UHFFFAOYSA-N -1 1 379.441 4.333 20 30 GIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3c(F)cccc3F)s2)cc1 ZINC000043701904 821443866 /nfs/dbraw/zinc/44/38/66/821443866.db2.gz DAPRIMNHTGCVMY-UHFFFAOYSA-N -1 1 388.424 4.233 20 30 GIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1 ZINC000181462952 821837879 /nfs/dbraw/zinc/83/78/79/821837879.db2.gz OJFQXKCSRPZIOS-KRWDZBQOSA-N -1 1 383.455 4.202 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc([C@H](C)C(F)(F)F)cc2)n1 ZINC000453625021 822395099 /nfs/dbraw/zinc/39/50/99/822395099.db2.gz GGJPFVJJIFBETG-GWCFXTLKSA-N -1 1 396.390 4.476 20 30 GIEDMM N#CC(=C([O-])c1ccc(Br)s1)c1ccc(C(F)(F)F)cn1 ZINC000048828660 822685203 /nfs/dbraw/zinc/68/52/03/822685203.db2.gz HXKLPSCBIPBLDA-QMMMGPOBSA-N -1 1 375.169 4.414 20 30 GIEDMM CCOc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000186442726 822896388 /nfs/dbraw/zinc/89/63/88/822896388.db2.gz MHKOSDCQWMZJAC-UHFFFAOYSA-N -1 1 397.780 4.245 20 30 GIEDMM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000055664275 822995911 /nfs/dbraw/zinc/99/59/11/822995911.db2.gz XPKJVFCGIHTOJC-UHFFFAOYSA-N -1 1 378.453 4.132 20 30 GIEDMM N#Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1Oc1ccccc1 ZINC000190142855 823542617 /nfs/dbraw/zinc/54/26/17/823542617.db2.gz NRXKURFNTBODFZ-UHFFFAOYSA-N -1 1 381.391 4.444 20 30 GIEDMM N#CC(=C([O-])c1ccccc1NC(=O)c1ccsc1)c1cnc2ccccc2n1 ZINC000190937606 823626999 /nfs/dbraw/zinc/62/69/99/823626999.db2.gz DYAGJLFRTJIYER-INIZCTEOSA-N -1 1 398.447 4.434 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000064478360 823827277 /nfs/dbraw/zinc/82/72/77/823827277.db2.gz MLVFPTFGYDIJGN-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM CCOC(=O)C1=C(NC(=O)c2cnc(CC)s2)[N-]c2ccccc2N=C1C ZINC000065048996 823930526 /nfs/dbraw/zinc/93/05/26/823930526.db2.gz UIFGZYPVVGZDIJ-UHFFFAOYSA-N -1 1 384.461 4.003 20 30 GIEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Cc3ccc(F)cc3)n2)c1 ZINC000170709710 823950437 /nfs/dbraw/zinc/95/04/37/823950437.db2.gz MGLTWJIATPGHFX-QGZVFWFLSA-N -1 1 393.443 4.143 20 30 GIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000409499299 823235396 /nfs/dbraw/zinc/23/53/96/823235396.db2.gz HGJGFYBLEHMLCY-UHFFFAOYSA-N -1 1 386.498 4.484 20 30 GIEDMM Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000057433062 823296216 /nfs/dbraw/zinc/29/62/16/823296216.db2.gz GKBXERRWUAZATC-UHFFFAOYSA-N -1 1 397.500 4.208 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000021007246 818647731 /nfs/dbraw/zinc/64/77/31/818647731.db2.gz YWIHZUDCRXXJMI-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)CCc3ccc(C)cc3)n2)n[n-]c1=S ZINC000023041911 818890990 /nfs/dbraw/zinc/89/09/90/818890990.db2.gz QWIKQIISMWOGGU-UHFFFAOYSA-N -1 1 399.545 4.054 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000024457904 819058833 /nfs/dbraw/zinc/05/88/33/819058833.db2.gz BIMQYARGRWENQK-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000410136670 823399528 /nfs/dbraw/zinc/39/95/28/823399528.db2.gz KHAQKJXHCIHNKE-MRXNPFEDSA-N -1 1 390.480 4.019 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1C(F)(F)F ZINC000177621416 823502828 /nfs/dbraw/zinc/50/28/28/823502828.db2.gz YJBXBANLOGHRAG-UHFFFAOYSA-N -1 1 393.346 4.033 20 30 GIEDMM CSc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000123456068 823510656 /nfs/dbraw/zinc/51/06/56/823510656.db2.gz WEJKNHFJPMPYCV-CQSZACIVSA-N -1 1 395.509 4.075 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000041521482 821205094 /nfs/dbraw/zinc/20/50/94/821205094.db2.gz XMINZBCEWJQWDO-MRXNPFEDSA-N -1 1 392.440 4.462 20 30 GIEDMM Cc1scc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000180733126 821423052 /nfs/dbraw/zinc/42/30/52/821423052.db2.gz FBGDVQFSMXINIZ-GFCCVEGCSA-N -1 1 383.498 4.032 20 30 GIEDMM N#C[C@H](C(=O)c1ccc(F)c(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362118 822570773 /nfs/dbraw/zinc/57/07/73/822570773.db2.gz UXUZKHKDOOKLOH-LLVKDONJSA-N -1 1 385.395 4.044 20 30 GIEDMM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1ccc2ccccc2n1 ZINC000048858411 822686489 /nfs/dbraw/zinc/68/64/89/822686489.db2.gz VOPKSSQBQFWHRI-SFHVURJKSA-N -1 1 389.418 4.435 20 30 GIEDMM C=CCCCN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455783741 822726048 /nfs/dbraw/zinc/72/60/48/822726048.db2.gz ZXXINAKLLUAEJY-UHFFFAOYSA-N -1 1 387.505 4.226 20 30 GIEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000064070010 823742965 /nfs/dbraw/zinc/74/29/65/823742965.db2.gz XZSBAVNHYYXEJQ-UHFFFAOYSA-N -1 1 377.473 4.125 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(COCCc3ccccc3)c2)c1 ZINC000064938606 823916130 /nfs/dbraw/zinc/91/61/30/823916130.db2.gz OBCVLVSUMAUBNY-UHFFFAOYSA-N -1 1 392.480 4.118 20 30 GIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192389373 823968481 /nfs/dbraw/zinc/96/84/81/823968481.db2.gz CYIFFWQLTPUPQZ-UHFFFAOYSA-N -1 1 385.670 4.083 20 30 GIEDMM Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000121330923 823164730 /nfs/dbraw/zinc/16/47/30/823164730.db2.gz GRXYXKUBRANNCY-CQSZACIVSA-N -1 1 397.887 4.315 20 30 GIEDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000176686746 823268061 /nfs/dbraw/zinc/26/80/61/823268061.db2.gz UVDAUIGYDFYHBD-UHFFFAOYSA-N -1 1 397.431 4.302 20 30 GIEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000008294881 818031687 /nfs/dbraw/zinc/03/16/87/818031687.db2.gz UEXYUXDNJQTYDO-UHFFFAOYSA-N -1 1 386.517 4.009 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000122337851 823340210 /nfs/dbraw/zinc/34/02/10/823340210.db2.gz JWVLBNDXRYQWRC-OAHLLOKOSA-N -1 1 384.461 4.086 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000410136669 823399584 /nfs/dbraw/zinc/39/95/84/823399584.db2.gz KHAQKJXHCIHNKE-INIZCTEOSA-N -1 1 390.480 4.019 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)cc(OC(C)C)c2)n1 ZINC000177588019 823497247 /nfs/dbraw/zinc/49/72/47/823497247.db2.gz PMFJHGMXORUQKS-CQSZACIVSA-N -1 1 379.279 4.491 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1C(F)(F)F ZINC000177622211 823503174 /nfs/dbraw/zinc/50/31/74/823503174.db2.gz HUQWTXCYLOSYHE-UHFFFAOYSA-N -1 1 376.306 4.315 20 30 GIEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000031435214 820810602 /nfs/dbraw/zinc/81/06/02/820810602.db2.gz SQSHKRKRUWRUCT-HNNXBMFYSA-N -1 1 391.500 4.055 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(I)c2)n1 ZINC000177747107 823520029 /nfs/dbraw/zinc/52/00/29/823520029.db2.gz COBWXFGBXBHHIZ-GFCCVEGCSA-N -1 1 396.253 4.361 20 30 GIEDMM N#Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[O-] ZINC000189986189 823521771 /nfs/dbraw/zinc/52/17/71/823521771.db2.gz FRKUXYCOYZDRHM-UHFFFAOYSA-N -1 1 375.409 4.064 20 30 GIEDMM COCCOCc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1F ZINC000177769702 823523528 /nfs/dbraw/zinc/52/35/28/823523528.db2.gz HFRQTYQCNNQUON-OAHLLOKOSA-N -1 1 376.453 4.059 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@](C)=O)c3)n2)cc1 ZINC000041512564 821202349 /nfs/dbraw/zinc/20/23/49/821202349.db2.gz UGDUUUFFRDEKHR-DNOBIOAJSA-N -1 1 394.521 4.487 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@@](C)=O)c3)n2)cc1 ZINC000041512568 821202391 /nfs/dbraw/zinc/20/23/91/821202391.db2.gz UGDUUUFFRDEKHR-MYUZEXMDSA-N -1 1 394.521 4.487 20 30 GIEDMM CSc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000453587879 822389188 /nfs/dbraw/zinc/38/91/88/822389188.db2.gz LJXQTOJKSUREIR-CQSZACIVSA-N -1 1 395.509 4.488 20 30 GIEDMM COC(=O)c1coc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)c1 ZINC000184114011 822580179 /nfs/dbraw/zinc/58/01/79/822580179.db2.gz CJVLXTINZFYZJY-UHFFFAOYSA-N -1 1 378.409 4.017 20 30 GIEDMM Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1F ZINC000050821542 822739637 /nfs/dbraw/zinc/73/96/37/822739637.db2.gz IEWZJAYCVOAIJM-ZDUSSCGKSA-N -1 1 381.432 4.213 20 30 GIEDMM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1NC(=O)c1ccco1 ZINC000190895836 823621198 /nfs/dbraw/zinc/62/11/98/823621198.db2.gz BQEGCCCITIMLSR-INIZCTEOSA-N -1 1 396.406 4.274 20 30 GIEDMM N#CC(=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1)c1cnc2ccccc2n1 ZINC000190930322 823626202 /nfs/dbraw/zinc/62/62/02/823626202.db2.gz CDNRGCKYFDZEDZ-IBGZPJMESA-N -1 1 392.418 4.372 20 30 GIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000462098972 823827564 /nfs/dbraw/zinc/82/75/64/823827564.db2.gz DMGQJECWGPJWTA-UHFFFAOYSA-N -1 1 384.288 4.488 20 30 GIEDMM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188390775 823232301 /nfs/dbraw/zinc/23/23/01/823232301.db2.gz KBGNMXPYDAXEPS-SFHVURJKSA-N -1 1 388.471 4.214 20 30 GIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000057125578 823251682 /nfs/dbraw/zinc/25/16/82/823251682.db2.gz QUNYMOSBZXLOGL-UHFFFAOYSA-N -1 1 389.436 4.331 20 30 GIEDMM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000121819748 823257546 /nfs/dbraw/zinc/25/75/46/823257546.db2.gz ONEMIIPYDBMLRW-UHFFFAOYSA-N -1 1 389.465 4.453 20 30 GIEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccccc1 ZINC000004285700 817516632 /nfs/dbraw/zinc/51/66/32/817516632.db2.gz ORJGWRVOKTWFRX-UHFFFAOYSA-N -1 1 391.452 4.235 20 30 GIEDMM C[C@@H]1CCC[C@H](CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000122407462 823350249 /nfs/dbraw/zinc/35/02/49/823350249.db2.gz JESAELXNNWMQQQ-VNHYZAJKSA-N -1 1 383.517 4.256 20 30 GIEDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1[N+](=O)[O-] ZINC000026547959 820112714 /nfs/dbraw/zinc/11/27/14/820112714.db2.gz QNZNMEMFABRTCL-UHFFFAOYSA-N -1 1 393.852 4.159 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)c1 ZINC000032086531 820895515 /nfs/dbraw/zinc/89/55/15/820895515.db2.gz ZANKDGRATNAMQS-UHFFFAOYSA-N -1 1 375.453 4.053 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(I)c2)n1 ZINC000177747095 823520034 /nfs/dbraw/zinc/52/00/34/823520034.db2.gz COBWXFGBXBHHIZ-LBPRGKRZSA-N -1 1 396.253 4.361 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(I)cc2)n1 ZINC000177756505 823521424 /nfs/dbraw/zinc/52/14/24/823521424.db2.gz SEPBWYVQTZWJSE-LBPRGKRZSA-N -1 1 396.253 4.361 20 30 GIEDMM C=CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000036309958 821071285 /nfs/dbraw/zinc/07/12/85/821071285.db2.gz CJOOHQRCHQGBHK-UHFFFAOYSA-N -1 1 386.517 4.009 20 30 GIEDMM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514165 821203266 /nfs/dbraw/zinc/20/32/66/821203266.db2.gz WTYSDKWNNJLSAK-HNNXBMFYSA-N -1 1 381.844 4.052 20 30 GIEDMM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)cs1 ZINC000041534534 821205830 /nfs/dbraw/zinc/20/58/30/821205830.db2.gz DVIZYAODQAKUIK-INIZCTEOSA-N -1 1 376.437 4.461 20 30 GIEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c(C)c1F ZINC000181147268 821663634 /nfs/dbraw/zinc/66/36/34/821663634.db2.gz WFBAKUXTOPBUSI-GFCCVEGCSA-N -1 1 394.493 4.338 20 30 GIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000182322081 822202133 /nfs/dbraw/zinc/20/21/33/822202133.db2.gz MTSTUDQAHQBFFB-UHFFFAOYSA-N -1 1 396.468 4.164 20 30 GIEDMM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000182851947 822379053 /nfs/dbraw/zinc/37/90/53/822379053.db2.gz HCZZTBOFQJKIQU-CQSZACIVSA-N -1 1 393.353 4.280 20 30 GIEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1 ZINC000045526880 822393460 /nfs/dbraw/zinc/39/34/60/822393460.db2.gz NLAIZPVZRDZSNK-UHFFFAOYSA-N -1 1 381.478 4.151 20 30 GIEDMM Cc1cc(Br)c([O-])c(NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000182923959 822393617 /nfs/dbraw/zinc/39/36/17/822393617.db2.gz NGSUXCBECINFEG-UHFFFAOYSA-N -1 1 391.290 4.207 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1CC(C)C ZINC000179384895 822474809 /nfs/dbraw/zinc/47/48/09/822474809.db2.gz GESCXFILKJHIKV-CYBMUJFWSA-N -1 1 385.418 4.336 20 30 GIEDMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000184033786 822568043 /nfs/dbraw/zinc/56/80/43/822568043.db2.gz YGXPXEAGZOTOEJ-UHFFFAOYSA-N -1 1 386.420 4.241 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000179961143 822586109 /nfs/dbraw/zinc/58/61/09/822586109.db2.gz ONCZYGZEJVOASU-DVOMOZLQSA-N -1 1 398.488 4.332 20 30 GIEDMM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1ccc2ccccc2n1 ZINC000048858414 822686510 /nfs/dbraw/zinc/68/65/10/822686510.db2.gz VOPKSSQBQFWHRI-GOSISDBHSA-N -1 1 389.418 4.435 20 30 GIEDMM C=C(C)CN(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455805079 822729379 /nfs/dbraw/zinc/72/93/79/822729379.db2.gz WQKIDGQTAHYERF-UHFFFAOYSA-N -1 1 387.505 4.144 20 30 GIEDMM C=CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455804526 822729385 /nfs/dbraw/zinc/72/93/85/822729385.db2.gz WNKRCBLCRJXVQS-INIZCTEOSA-N -1 1 387.505 4.190 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NCc3ccccc3)c(Cl)c2)cn1 ZINC000174718103 822827895 /nfs/dbraw/zinc/82/78/95/822827895.db2.gz KEKRIGKKKVEFLG-UHFFFAOYSA-N -1 1 398.875 4.020 20 30 GIEDMM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)cc1Cl ZINC000186631441 822926326 /nfs/dbraw/zinc/92/63/26/822926326.db2.gz WPHWCSHYDPYQFI-UHFFFAOYSA-N -1 1 376.652 4.023 20 30 GIEDMM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000190572312 823587385 /nfs/dbraw/zinc/58/73/85/823587385.db2.gz FQDFRJCSLDWUTE-UHFFFAOYSA-N -1 1 390.483 4.197 20 30 GIEDMM N#CC(=C([O-])c1ccccc1NC(=O)c1cccs1)c1cnc2ccccc2n1 ZINC000190891940 823620526 /nfs/dbraw/zinc/62/05/26/823620526.db2.gz IZCZUDFPNKPIEQ-OAHLLOKOSA-N -1 1 398.447 4.434 20 30 GIEDMM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000192200365 823899451 /nfs/dbraw/zinc/89/94/51/823899451.db2.gz FAENGVWNAHNBBT-CQSZACIVSA-N -1 1 384.386 4.414 20 30 GIEDMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000171055017 824049628 /nfs/dbraw/zinc/04/96/28/824049628.db2.gz PSAQRUFEOCCRJQ-UHFFFAOYSA-N -1 1 383.860 4.383 20 30 GIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1C(F)(F)F ZINC000571339194 823167455 /nfs/dbraw/zinc/16/74/55/823167455.db2.gz WBBFAIXHZGRPTD-UHFFFAOYSA-N -1 1 398.406 4.497 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cc(C)ccc1C ZINC000121866819 823266333 /nfs/dbraw/zinc/26/63/33/823266333.db2.gz TXUQGUIUTNIFDE-QGZVFWFLSA-N -1 1 383.455 4.174 20 30 GIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000122103013 823306714 /nfs/dbraw/zinc/30/67/14/823306714.db2.gz HRKYWAGBCFAUKP-CYBMUJFWSA-N -1 1 375.819 4.107 20 30 GIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3ccc(O)cc3)cc2)cc1 ZINC000016438888 818442161 /nfs/dbraw/zinc/44/21/61/818442161.db2.gz KDODYFOOJCIHGK-GIDUJCDVSA-N -1 1 393.464 4.398 20 30 in-vivo GIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1Br ZINC000026547838 820112525 /nfs/dbraw/zinc/11/25/25/820112525.db2.gz KUYGXVJESFHWAS-UHFFFAOYSA-N -1 1 393.306 4.360 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(F)c(OC)c3)n2)cc1 ZINC000123253189 823485803 /nfs/dbraw/zinc/48/58/03/823485803.db2.gz ZVFFMVJRCJCVLI-OAHLLOKOSA-N -1 1 382.416 4.456 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1 ZINC000032596834 820975259 /nfs/dbraw/zinc/97/52/59/820975259.db2.gz XUZRIYACWQNDGN-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000041533932 821206180 /nfs/dbraw/zinc/20/61/80/821206180.db2.gz XUVMEHLHIDUVDI-SFHVURJKSA-N -1 1 387.464 4.427 20 30 GIEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c(C)c1F ZINC000181147108 821663366 /nfs/dbraw/zinc/66/33/66/821663366.db2.gz ANUBJTRPFXLTJB-GFCCVEGCSA-N -1 1 394.493 4.195 20 30 GIEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000181708043 821953270 /nfs/dbraw/zinc/95/32/70/821953270.db2.gz SQMUPJFUNVVFAQ-UHFFFAOYSA-N -1 1 398.456 4.137 20 30 GIEDMM CCc1sc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000046707294 822507784 /nfs/dbraw/zinc/50/77/84/822507784.db2.gz YKZCQSXNGHSYGK-GFCCVEGCSA-N -1 1 397.525 4.286 20 30 GIEDMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266238 822752983 /nfs/dbraw/zinc/75/29/83/822752983.db2.gz FVNCRPWOKCMUHB-UHFFFAOYSA-N -1 1 398.776 4.110 20 30 GIEDMM CC(=O)N(c1nc(/C=C2\Oc3cc([O-])ccc3C2=O)cs1)c1ccc(C)cc1 ZINC000054897876 822920334 /nfs/dbraw/zinc/92/03/34/822920334.db2.gz DJQBAISMHYCQNF-OCKHKDLRSA-N -1 1 392.436 4.458 20 30 GIEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000055430266 822962284 /nfs/dbraw/zinc/96/22/84/822962284.db2.gz CQUTZKQFBIGNNP-UHFFFAOYSA-N -1 1 387.395 4.267 20 30 GIEDMM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000055590459 822983027 /nfs/dbraw/zinc/98/30/27/822983027.db2.gz AVKDFBMVKDODPD-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000055630002 822989796 /nfs/dbraw/zinc/98/97/96/822989796.db2.gz UROIRBWGFJSKKN-UHFFFAOYSA-N -1 1 396.443 4.272 20 30 GIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055640018 822990886 /nfs/dbraw/zinc/99/08/86/822990886.db2.gz SMDHBKLOYLZEPK-UHFFFAOYSA-N -1 1 384.379 4.189 20 30 GIEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190291105 823559649 /nfs/dbraw/zinc/55/96/49/823559649.db2.gz NNKLOYFIGIGFPW-AWEZNQCLSA-N -1 1 386.498 4.114 20 30 GIEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190291543 823559689 /nfs/dbraw/zinc/55/96/89/823559689.db2.gz MKOYQSGWSLXOAI-CQSZACIVSA-N -1 1 386.498 4.256 20 30 GIEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c(=O)o1 ZINC000125861447 823731709 /nfs/dbraw/zinc/73/17/09/823731709.db2.gz LGEGXCZAAFQQHF-GLCJEOIMSA-N -1 1 396.826 4.147 20 30 GIEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Cc3ccc(F)cc3)n2)c1 ZINC000170709707 823950072 /nfs/dbraw/zinc/95/00/72/823950072.db2.gz MGLTWJIATPGHFX-KRWDZBQOSA-N -1 1 393.443 4.143 20 30 GIEDMM Cc1ccc(OCc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)o2)c(C)c1 ZINC000121294750 823156957 /nfs/dbraw/zinc/15/69/57/823156957.db2.gz AGWZLPZGYOXKAU-LJQANCHMSA-N -1 1 388.423 4.437 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)c3cscc3C)nc2C)n[n-]c1=S ZINC000176565718 823238384 /nfs/dbraw/zinc/23/83/84/823238384.db2.gz OVYKMFNQTUBKHK-UHFFFAOYSA-N -1 1 377.520 4.181 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000410115016 823395642 /nfs/dbraw/zinc/39/56/42/823395642.db2.gz DREPFMSWLUYOMG-GOSISDBHSA-N -1 1 386.517 4.189 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000410127637 823397523 /nfs/dbraw/zinc/39/75/23/823397523.db2.gz CCFQKHUQAPLHCS-KRWDZBQOSA-N -1 1 390.480 4.019 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000410126741 823397561 /nfs/dbraw/zinc/39/75/61/823397561.db2.gz DELMZPKPSFJRPN-GOSISDBHSA-N -1 1 386.517 4.189 20 30 GIEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410417471 823491403 /nfs/dbraw/zinc/49/14/03/823491403.db2.gz KRDVHEHWDJTICK-UHFFFAOYSA-N -1 1 379.627 4.458 20 30 GIEDMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2C)c1 ZINC000460826665 823523702 /nfs/dbraw/zinc/52/37/02/823523702.db2.gz HNNMPWIQQCMOBW-UHFFFAOYSA-N -1 1 379.441 4.163 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3cccnc3)c2)n1 ZINC000177761182 823521888 /nfs/dbraw/zinc/52/18/88/823521888.db2.gz DUQBLVJAVISINB-QGZVFWFLSA-N -1 1 390.468 4.404 20 30 GIEDMM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)s1)c1nnc2n1CCCCC2 ZINC000041509341 821201244 /nfs/dbraw/zinc/20/12/44/821201244.db2.gz MHWLAUYIDIOSPA-OAHLLOKOSA-N -1 1 380.448 4.362 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000041515297 821203181 /nfs/dbraw/zinc/20/31/81/821203181.db2.gz ZLOZPDWYIWHXLN-QGZVFWFLSA-N -1 1 379.416 4.333 20 30 GIEDMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000182902094 822389259 /nfs/dbraw/zinc/38/92/59/822389259.db2.gz NNHQJTIAISLRIX-UHFFFAOYSA-N -1 1 377.263 4.331 20 30 GIEDMM Cc1cc(Br)c([O-])c(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000182912856 822391658 /nfs/dbraw/zinc/39/16/58/822391658.db2.gz LGRPPLHNVPRYHZ-UHFFFAOYSA-N -1 1 377.263 4.066 20 30 GIEDMM CC1(C)CCC[C@@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000179377494 822473518 /nfs/dbraw/zinc/47/35/18/822473518.db2.gz CAHUHTMEBXBQCM-OCCSQVGLSA-N -1 1 383.517 4.256 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(C(F)(F)F)c1 ZINC000055565471 822980439 /nfs/dbraw/zinc/98/04/39/822980439.db2.gz ROAYSSFEBLZDFR-UHFFFAOYSA-N -1 1 378.734 4.170 20 30 GIEDMM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)c1 ZINC000055590461 822983008 /nfs/dbraw/zinc/98/30/08/822983008.db2.gz PWBKRGSKWIPSID-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1OC(C)C ZINC000055639942 822990849 /nfs/dbraw/zinc/99/08/49/822990849.db2.gz PLDZVKDLTZJPFH-UHFFFAOYSA-N -1 1 388.489 4.266 20 30 GIEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000055664049 822995924 /nfs/dbraw/zinc/99/59/24/822995924.db2.gz LDCXFOVEEBPLOX-UHFFFAOYSA-N -1 1 392.480 4.070 20 30 GIEDMM C=CCC(C)(C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412296466 823644048 /nfs/dbraw/zinc/64/40/48/823644048.db2.gz ZBJUHBTWAPIBQH-UHFFFAOYSA-N -1 1 377.076 4.458 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1C ZINC000187467875 823068906 /nfs/dbraw/zinc/06/89/06/823068906.db2.gz YRWXCIHLYXXBGD-MRXNPFEDSA-N -1 1 383.455 4.120 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)cc1 ZINC000012649473 818174793 /nfs/dbraw/zinc/17/47/93/818174793.db2.gz XXPHXXCSENNFNZ-UHFFFAOYSA-N -1 1 381.482 4.046 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000409871222 823331565 /nfs/dbraw/zinc/33/15/65/823331565.db2.gz QPXOZGDFAQXVPF-UHFFFAOYSA-N -1 1 375.409 4.023 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000122337611 823340269 /nfs/dbraw/zinc/34/02/69/823340269.db2.gz JWVLBNDXRYQWRC-HNNXBMFYSA-N -1 1 384.461 4.086 20 30 GIEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000022016505 818764081 /nfs/dbraw/zinc/76/40/81/818764081.db2.gz MPGXMEUIXAKCTQ-SSDVNMTOSA-N -1 1 395.418 4.315 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)c1 ZINC000123164719 823472660 /nfs/dbraw/zinc/47/26/60/823472660.db2.gz RUKLWRDYCOISLN-UHFFFAOYSA-N -1 1 381.482 4.046 20 30 GIEDMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000028781593 820357301 /nfs/dbraw/zinc/35/73/01/820357301.db2.gz JTRVEEFIUYDAFQ-UHFFFAOYSA-N -1 1 380.425 4.160 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(C)c3C)n2)n[n-]c1=S ZINC000030688582 820666163 /nfs/dbraw/zinc/66/61/63/820666163.db2.gz FPSSLTOKTLYZNJ-UHFFFAOYSA-N -1 1 385.518 4.043 20 30 GIEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c2ccccc12 ZINC000032591139 820973714 /nfs/dbraw/zinc/97/37/14/820973714.db2.gz ABOQDIXCKZPJIU-UHFFFAOYSA-N -1 1 380.469 4.494 20 30 GIEDMM Cc1nc(COc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)no1 ZINC000041501005 821200027 /nfs/dbraw/zinc/20/00/27/821200027.db2.gz PSXNDLVJJVRHHV-HNNXBMFYSA-N -1 1 390.424 4.057 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)CCC(=O)N4)n2)cc1 ZINC000041512728 821202460 /nfs/dbraw/zinc/20/24/60/821202460.db2.gz XTVOZOWEBRZKFW-KRWDZBQOSA-N -1 1 387.464 4.493 20 30 GIEDMM COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190121805 823540302 /nfs/dbraw/zinc/54/03/02/823540302.db2.gz BWCDMENUZWPWRJ-UHFFFAOYSA-N -1 1 378.453 4.177 20 30 GIEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c(C)c1F ZINC000181147251 821663538 /nfs/dbraw/zinc/66/35/38/821663538.db2.gz WFBAKUXTOPBUSI-LBPRGKRZSA-N -1 1 394.493 4.338 20 30 GIEDMM N#C[C@@H](C(=O)CCCc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817524 822684394 /nfs/dbraw/zinc/68/43/94/822684394.db2.gz IHIKEZZBRFGEES-INIZCTEOSA-N -1 1 391.496 4.063 20 30 GIEDMM C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455775159 822724194 /nfs/dbraw/zinc/72/41/94/822724194.db2.gz QUZDEUCEDOETEB-IBGZPJMESA-N -1 1 399.516 4.368 20 30 GIEDMM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051155404 822748602 /nfs/dbraw/zinc/74/86/02/822748602.db2.gz ZGQLXQZGXCQHRY-OAHLLOKOSA-N -1 1 381.844 4.052 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)C3C(C)(C)C3(C)C)nc2C)n[n-]c1=S ZINC000174720065 822828157 /nfs/dbraw/zinc/82/81/57/822828157.db2.gz YXYMUVYFVSMNCO-UHFFFAOYSA-N -1 1 377.539 4.179 20 30 GIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)cc1 ZINC000055664274 822995885 /nfs/dbraw/zinc/99/58/85/822995885.db2.gz YENPXRVWSVLMTQ-UHFFFAOYSA-N -1 1 392.480 4.441 20 30 GIEDMM C[C@@H]1[C@H](C(=O)[N-][C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461095882 823576079 /nfs/dbraw/zinc/57/60/79/823576079.db2.gz FFBBZJKJQIFRDQ-BDODKLCJSA-N -1 1 377.231 4.206 20 30 GIEDMM C[C@@H]1[C@@H](C(=O)[N-][C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461095885 823576116 /nfs/dbraw/zinc/57/61/16/823576116.db2.gz FFBBZJKJQIFRDQ-WHFVKQHSSA-N -1 1 377.231 4.206 20 30 GIEDMM C=CCSc1ccccc1NC(=O)CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000570528619 823050206 /nfs/dbraw/zinc/05/02/06/823050206.db2.gz GKHZCPJNTNMRNS-UHFFFAOYSA-N -1 1 375.519 4.062 20 30 GIEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000121286160 823155408 /nfs/dbraw/zinc/15/54/08/823155408.db2.gz DNSSUJBAHXMRIW-NSHDSACASA-N -1 1 387.873 4.486 20 30 GIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000460420953 823383643 /nfs/dbraw/zinc/38/36/43/823383643.db2.gz HASOKNWDHAELOR-UHFFFAOYSA-N -1 1 398.406 4.424 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000410133504 823398879 /nfs/dbraw/zinc/39/88/79/823398879.db2.gz ICWNZWKFRAHYJP-SFHVURJKSA-N -1 1 386.517 4.189 20 30 GIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1Cc1ccccc1 ZINC000123040350 823451716 /nfs/dbraw/zinc/45/17/16/823451716.db2.gz BZTHHIPIBRNMQV-SFHVURJKSA-N -1 1 397.482 4.261 20 30 GIEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460831681 823524640 /nfs/dbraw/zinc/52/46/40/823524640.db2.gz OWHKQACFDHLKHI-UHFFFAOYSA-N -1 1 398.528 4.425 20 30 GIEDMM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000041495222 821198367 /nfs/dbraw/zinc/19/83/67/821198367.db2.gz JBFZRKUUOOQRRD-GFCCVEGCSA-N -1 1 390.424 4.268 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C[S@@](C)=O)c3)n2)cc1 ZINC000041512572 821202319 /nfs/dbraw/zinc/20/23/19/821202319.db2.gz UGDUUUFFRDEKHR-CLYVBNDRSA-N -1 1 394.521 4.487 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(CC)CC)cc2)n1 ZINC000453627030 822395385 /nfs/dbraw/zinc/39/53/85/822395385.db2.gz KWKQKFKMNDQZOC-INIZCTEOSA-N -1 1 386.473 4.377 20 30 GIEDMM C[C@H](CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000046707212 822507707 /nfs/dbraw/zinc/50/77/07/822507707.db2.gz XFISRXLVOWMHIO-CZUORRHYSA-N -1 1 391.496 4.233 20 30 GIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000456122780 822780682 /nfs/dbraw/zinc/78/06/82/822780682.db2.gz WMCMHSNBFCLXLF-UHFFFAOYSA-N -1 1 382.464 4.089 20 30 GIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@H](C)OC)nc2C)cc1 ZINC000175108307 822883707 /nfs/dbraw/zinc/88/37/07/822883707.db2.gz OZHWTDBPRICWEQ-WMLDXEAASA-N -1 1 399.516 4.463 20 30 GIEDMM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000060915591 823566250 /nfs/dbraw/zinc/56/62/50/823566250.db2.gz XDURQYVJZWBAPV-UHFFFAOYSA-N -1 1 399.501 4.374 20 30 GIEDMM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1NC(=O)c1ccco1 ZINC000190895854 823621205 /nfs/dbraw/zinc/62/12/05/823621205.db2.gz BQEGCCCITIMLSR-MRXNPFEDSA-N -1 1 396.406 4.274 20 30 GIEDMM CC(C)c1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000125048427 823647965 /nfs/dbraw/zinc/64/79/65/823647965.db2.gz BTZWEGOVDQUTAP-INIZCTEOSA-N -1 1 390.468 4.290 20 30 GIEDMM C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)C1 ZINC000062930736 823649606 /nfs/dbraw/zinc/64/96/06/823649606.db2.gz CISVVURYTMSXRK-UZLBHIALSA-N -1 1 384.501 4.454 20 30 GIEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCc3ccccc3Cl)c2)c(=O)o1 ZINC000125861660 823731941 /nfs/dbraw/zinc/73/19/41/823731941.db2.gz LGEGXCZAAFQQHF-LCCNJJIFSA-N -1 1 396.826 4.147 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCCc3ccccc3)c2)cc1 ZINC000064938607 823916225 /nfs/dbraw/zinc/91/62/25/823916225.db2.gz ISNMMONZUUIFLD-UHFFFAOYSA-N -1 1 392.480 4.118 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)CCCCSC)nc2C)n[n-]c1=S ZINC000121792999 823252749 /nfs/dbraw/zinc/25/27/49/823252749.db2.gz FWERLAOETUUGJC-UHFFFAOYSA-N -1 1 383.568 4.030 20 30 GIEDMM N#Cc1ccc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1[O-] ZINC000410096112 823390196 /nfs/dbraw/zinc/39/01/96/823390196.db2.gz CSBJTURKJATLIL-UHFFFAOYSA-N -1 1 392.352 4.384 20 30 GIEDMM C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000189881651 823509491 /nfs/dbraw/zinc/50/94/91/823509491.db2.gz IWCHVMYCQGJDTE-UHFFFAOYSA-N -1 1 385.533 4.223 20 30 GIEDMM C[C@@H]1[C@H](C(=O)[N-][C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461095883 823576101 /nfs/dbraw/zinc/57/61/01/823576101.db2.gz FFBBZJKJQIFRDQ-DRTBCBBWSA-N -1 1 377.231 4.206 20 30 GIEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CCS2)c1nc2ccccc2s1 ZINC000041504218 821200810 /nfs/dbraw/zinc/20/08/10/821200810.db2.gz KIVMVEPZYCWHIE-GFCCVEGCSA-N -1 1 379.466 4.221 20 30 GIEDMM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514922 821203072 /nfs/dbraw/zinc/20/30/72/821203072.db2.gz SRKCFLCICAYMDD-ZDUSSCGKSA-N -1 1 398.831 4.444 20 30 GIEDMM N#CC(=C([O-])c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000041537635 821206622 /nfs/dbraw/zinc/20/66/22/821206622.db2.gz LBOFIAJWXWYHFN-SFHVURJKSA-N -1 1 387.464 4.427 20 30 GIEDMM C[C@@H](CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000046707210 822507755 /nfs/dbraw/zinc/50/77/55/822507755.db2.gz XFISRXLVOWMHIO-XJKSGUPXSA-N -1 1 391.496 4.233 20 30 GIEDMM C=CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)C1CC1 ZINC000455795270 822728062 /nfs/dbraw/zinc/72/80/62/822728062.db2.gz PJXWUSJPOOHQHT-UHFFFAOYSA-N -1 1 399.516 4.287 20 30 GIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@@H](C)OC)nc2C)cc1 ZINC000175108275 822883686 /nfs/dbraw/zinc/88/36/86/822883686.db2.gz OZHWTDBPRICWEQ-RHSMWYFYSA-N -1 1 399.516 4.463 20 30 GIEDMM N#Cc1ccccc1Sc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000175219333 822907470 /nfs/dbraw/zinc/90/74/70/822907470.db2.gz SMLQRNDMAAJSLX-UHFFFAOYSA-N -1 1 389.362 4.099 20 30 GIEDMM N#CC(=C([O-])c1ccc(OCc2ccccc2)nc1)c1cnc2ccccc2n1 ZINC000190950333 823629269 /nfs/dbraw/zinc/62/92/69/823629269.db2.gz HRIKRRRPZNBWCE-GOSISDBHSA-N -1 1 380.407 4.094 20 30 GIEDMM N#CC(=C([O-])c1c2c(sc1-n1cccc1)CCC2)c1cnc2ccccc2n1 ZINC000190972579 823632813 /nfs/dbraw/zinc/63/28/13/823632813.db2.gz VICXCRDWKBTWTH-OAHLLOKOSA-N -1 1 384.464 4.461 20 30 GIEDMM N#Cc1ccc(Cc2cnc(NC([O-])=Nc3cc(C4CCCC4)[nH]n3)s2)cc1 ZINC000574446577 823733065 /nfs/dbraw/zinc/73/30/65/823733065.db2.gz JZMFVWLZGCBGDX-UHFFFAOYSA-N -1 1 392.488 4.052 20 30 GIEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714200 823869253 /nfs/dbraw/zinc/86/92/53/823869253.db2.gz SDKQQQWQEOLKNK-NSHDSACASA-N -1 1 384.363 4.307 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1C ZINC000187467893 823068860 /nfs/dbraw/zinc/06/88/60/823068860.db2.gz YRWXCIHLYXXBGD-INIZCTEOSA-N -1 1 383.455 4.120 20 30 GIEDMM Cc1c(Cl)cncc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000459296030 823157566 /nfs/dbraw/zinc/15/75/66/823157566.db2.gz MPLBEZBALURJRP-NSHDSACASA-N -1 1 398.875 4.123 20 30 GIEDMM COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)s2)cc1 ZINC000188407294 823235490 /nfs/dbraw/zinc/23/54/90/823235490.db2.gz ONLWOTQZXWVSJL-GFCCVEGCSA-N -1 1 393.468 4.195 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000006416250 817689379 /nfs/dbraw/zinc/68/93/79/817689379.db2.gz OYGYGHOJJGLBSZ-UHFFFAOYSA-N -1 1 394.296 4.397 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cccc(Cl)c1 ZINC000122120483 823309035 /nfs/dbraw/zinc/30/90/35/823309035.db2.gz XPNVMIKXBBWHIB-MRXNPFEDSA-N -1 1 389.846 4.211 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(C)cc1 ZINC000122124065 823309622 /nfs/dbraw/zinc/30/96/22/823309622.db2.gz XXGKJVDTOJFTPV-QGZVFWFLSA-N -1 1 383.455 4.120 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000024457941 819058950 /nfs/dbraw/zinc/05/89/50/819058950.db2.gz DAAAVNJYGWITAR-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM C=CC[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000410139551 823400082 /nfs/dbraw/zinc/40/00/82/823400082.db2.gz LMDLYCDEDFBEHD-KRWDZBQOSA-N -1 1 390.480 4.019 20 30 GIEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1cccs1 ZINC000123183473 823475241 /nfs/dbraw/zinc/47/52/41/823475241.db2.gz GPMIENGBPFXPOQ-UHFFFAOYSA-N -1 1 397.481 4.297 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)cc(OC(C)C)c2)n1 ZINC000177588005 823497192 /nfs/dbraw/zinc/49/71/92/823497192.db2.gz PMFJHGMXORUQKS-AWEZNQCLSA-N -1 1 379.279 4.491 20 30 GIEDMM COCCOc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1 ZINC000044027674 821506449 /nfs/dbraw/zinc/50/64/49/821506449.db2.gz NZYMZZDLWIFRTK-KRXBUXKQSA-N -1 1 377.234 4.076 20 30 GIEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1 ZINC000047362641 822570712 /nfs/dbraw/zinc/57/07/12/822570712.db2.gz XIHCSMBPAXEJLO-OAHLLOKOSA-N -1 1 377.469 4.383 20 30 GIEDMM N#Cc1c2c(sc1[N-]C(=O)c1cc(COc3ccccc3F)on1)CCCC2 ZINC000184903768 822710464 /nfs/dbraw/zinc/71/04/64/822710464.db2.gz IDWAICHVCJJDQP-UHFFFAOYSA-N -1 1 397.431 4.457 20 30 GIEDMM C=CCN(C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C)C1CC1 ZINC000455780298 822725465 /nfs/dbraw/zinc/72/54/65/822725465.db2.gz FXNHMRJLFNLCCX-UHFFFAOYSA-N -1 1 399.516 4.287 20 30 GIEDMM N#CC(=C([O-])c1ccccc1NC(=O)c1cccs1)c1cnc2ccccc2n1 ZINC000190891921 823620538 /nfs/dbraw/zinc/62/05/38/823620538.db2.gz IZCZUDFPNKPIEQ-HNNXBMFYSA-N -1 1 398.447 4.434 20 30 GIEDMM N#CC(=C([O-])c1ccc(OCc2ccccc2)nc1)c1cnc2ccccc2n1 ZINC000190950313 823629276 /nfs/dbraw/zinc/62/92/76/823629276.db2.gz HRIKRRRPZNBWCE-SFHVURJKSA-N -1 1 380.407 4.094 20 30 GIEDMM N#CC(=C([O-])c1ccnc(OCc2ccccc2)c1)c1cnc2ccccc2n1 ZINC000190978454 823633681 /nfs/dbraw/zinc/63/36/81/823633681.db2.gz WEFJIFQOUZQFSJ-SFHVURJKSA-N -1 1 380.407 4.094 20 30 GIEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)cc1Br ZINC000190989909 823635626 /nfs/dbraw/zinc/63/56/26/823635626.db2.gz CJVLHXKCYOESNV-CQSZACIVSA-N -1 1 380.245 4.499 20 30 GIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000462101007 823828180 /nfs/dbraw/zinc/82/81/80/823828180.db2.gz HMYXEEMCJJMMKJ-UHFFFAOYSA-N -1 1 383.395 4.200 20 30 GIEDMM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000192200371 823899554 /nfs/dbraw/zinc/89/95/54/823899554.db2.gz FAENGVWNAHNBBT-AWEZNQCLSA-N -1 1 384.386 4.414 20 30 GIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000409872450 823332061 /nfs/dbraw/zinc/33/20/61/823332061.db2.gz IWPITZKDIJAVQE-UHFFFAOYSA-N -1 1 395.396 4.060 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000410123802 823397147 /nfs/dbraw/zinc/39/71/47/823397147.db2.gz QRMDYFAECUNXGV-MRXNPFEDSA-N -1 1 390.480 4.019 20 30 GIEDMM Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122882311 823428357 /nfs/dbraw/zinc/42/83/57/823428357.db2.gz SFFSNYXPYDARSC-CYBMUJFWSA-N -1 1 394.500 4.418 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)c3cc(C)ccc3C)n2)n[n-]c1=S ZINC000030688547 820666033 /nfs/dbraw/zinc/66/60/33/820666033.db2.gz CZUSYVVKYZPRAI-UHFFFAOYSA-N -1 1 385.518 4.043 20 30 GIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1Cl ZINC000460829188 823524160 /nfs/dbraw/zinc/52/41/60/823524160.db2.gz NAGNHJUUWAINRX-UHFFFAOYSA-N -1 1 394.855 4.473 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000177775204 823524340 /nfs/dbraw/zinc/52/43/40/823524340.db2.gz QEUXASLVAQYSIW-AWEZNQCLSA-N -1 1 384.461 4.265 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1cccc(Cl)c1 ZINC000041494405 821198247 /nfs/dbraw/zinc/19/82/47/821198247.db2.gz CENMTIUYINTTSM-HNNXBMFYSA-N -1 1 375.819 4.201 20 30 GIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1 ZINC000181462931 821837554 /nfs/dbraw/zinc/83/75/54/821837554.db2.gz OJFQXKCSRPZIOS-QGZVFWFLSA-N -1 1 383.455 4.202 20 30 GIEDMM CSc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000453587868 822389324 /nfs/dbraw/zinc/38/93/24/822389324.db2.gz LJXQTOJKSUREIR-AWEZNQCLSA-N -1 1 395.509 4.488 20 30 GIEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000179739544 822539862 /nfs/dbraw/zinc/53/98/62/822539862.db2.gz BERCCIRWLCHUJC-UHFFFAOYSA-N -1 1 376.503 4.280 20 30 GIEDMM N#C[C@@H](C(=O)c1ccc(F)c(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362120 822570792 /nfs/dbraw/zinc/57/07/92/822570792.db2.gz UXUZKHKDOOKLOH-NSHDSACASA-N -1 1 385.395 4.044 20 30 GIEDMM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1ccc2ccccc2n1 ZINC000047375928 822572256 /nfs/dbraw/zinc/57/22/56/822572256.db2.gz XIGFQOBCSBWKRV-LJQANCHMSA-N -1 1 378.435 4.399 20 30 GIEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051155402 822748567 /nfs/dbraw/zinc/74/85/67/822748567.db2.gz BLHIWHNWAVGHAA-HNNXBMFYSA-N -1 1 396.859 4.444 20 30 GIEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051155401 822748596 /nfs/dbraw/zinc/74/85/96/822748596.db2.gz BLHIWHNWAVGHAA-OAHLLOKOSA-N -1 1 396.859 4.444 20 30 GIEDMM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000055629994 822989693 /nfs/dbraw/zinc/98/96/93/822989693.db2.gz WFBYCLSAOQUHNF-UHFFFAOYSA-N -1 1 378.453 4.132 20 30 GIEDMM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2F)n1 ZINC000190976684 823633530 /nfs/dbraw/zinc/63/35/30/823633530.db2.gz BVWQQQGOYRWFCD-INIZCTEOSA-N -1 1 385.402 4.062 20 30 GIEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C#N)ccc2C)c1 ZINC000064070016 823742921 /nfs/dbraw/zinc/74/29/21/823742921.db2.gz ZJZQPKJGISYSSB-UHFFFAOYSA-N -1 1 377.473 4.125 20 30 GIEDMM Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000121331080 823164734 /nfs/dbraw/zinc/16/47/34/823164734.db2.gz GRXYXKUBRANNCY-AWEZNQCLSA-N -1 1 397.887 4.315 20 30 GIEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000057123184 823251217 /nfs/dbraw/zinc/25/12/17/823251217.db2.gz LCWYSTCZVSVFBO-UHFFFAOYSA-N -1 1 392.436 4.354 20 30 GIEDMM Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000057433449 823296586 /nfs/dbraw/zinc/29/65/86/823296586.db2.gz AIAXNZREQCICNP-UHFFFAOYSA-N -1 1 397.500 4.208 20 30 GIEDMM N#Cc1ccc(C(=O)N2CCC(c3ccccc3Br)CC2)cc1[O-] ZINC000189269842 823384358 /nfs/dbraw/zinc/38/43/58/823384358.db2.gz NCRLBCBPWFGQSF-UHFFFAOYSA-N -1 1 385.261 4.046 20 30 GIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1Cc1ccccc1 ZINC000123040151 823451722 /nfs/dbraw/zinc/45/17/22/823451722.db2.gz BZTHHIPIBRNMQV-GOSISDBHSA-N -1 1 397.482 4.261 20 30 GIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2cccnc12 ZINC000410341256 823467760 /nfs/dbraw/zinc/46/77/60/823467760.db2.gz SGBXXKHIOPDPQE-UHFFFAOYSA-N -1 1 391.374 4.235 20 30 GIEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(CC#N)cc2)c1 ZINC000028436442 820336439 /nfs/dbraw/zinc/33/64/39/820336439.db2.gz HFYIWALNUUVGHE-UHFFFAOYSA-N -1 1 377.473 4.011 20 30 GIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc3c(c(Br)c2)OCO3)n1 ZINC000177745330 823519610 /nfs/dbraw/zinc/51/96/10/823519610.db2.gz YHFVTVANFVVRPO-JTQLQIEISA-N -1 1 393.262 4.248 20 30 GIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000041494721 821198090 /nfs/dbraw/zinc/19/80/90/821198090.db2.gz NSAGPXSYZJKOKA-OAHLLOKOSA-N -1 1 375.819 4.201 20 30 GIEDMM Cc1nc(COc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)no1 ZINC000041501001 821200121 /nfs/dbraw/zinc/20/01/21/821200121.db2.gz PSXNDLVJJVRHHV-OAHLLOKOSA-N -1 1 390.424 4.057 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(CC)CC)cc2)n1 ZINC000453627035 822395324 /nfs/dbraw/zinc/39/53/24/822395324.db2.gz KWKQKFKMNDQZOC-MRXNPFEDSA-N -1 1 386.473 4.377 20 30 GIEDMM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(Cl)cc1Cl ZINC000179644642 822518813 /nfs/dbraw/zinc/51/88/13/822518813.db2.gz MTEHAVQUADCWCC-UHFFFAOYSA-N -1 1 376.652 4.023 20 30 GIEDMM C=CCCCNC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455802113 822729021 /nfs/dbraw/zinc/72/90/21/822729021.db2.gz VAMWYIXTMFBSIM-UHFFFAOYSA-N -1 1 387.505 4.192 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(NC(N)=O)c3)n2)cc1 ZINC000051150909 822748404 /nfs/dbraw/zinc/74/84/04/822748404.db2.gz GTEBWPXUBOOMEW-MRXNPFEDSA-N -1 1 376.441 4.099 20 30 GIEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Oc2ncccc2C#N)cc1C ZINC000055588305 822982785 /nfs/dbraw/zinc/98/27/85/822982785.db2.gz IEIQVQVHEQJGGL-UHFFFAOYSA-N -1 1 397.431 4.302 20 30 GIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000190539677 823584419 /nfs/dbraw/zinc/58/44/19/823584419.db2.gz BKESBKPDQOOHOK-OAHLLOKOSA-N -1 1 385.423 4.007 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000191570855 823702126 /nfs/dbraw/zinc/70/21/26/823702126.db2.gz VKEYJXPOUKZMGY-UHFFFAOYSA-N -1 1 375.490 4.357 20 30 GIEDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168597892 823904433 /nfs/dbraw/zinc/90/44/33/823904433.db2.gz NIKSVTSUBLUQKR-UHFFFAOYSA-N -1 1 385.670 4.083 20 30 GIEDMM Cc1ccc(OCc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)o2)c(C)c1 ZINC000121294891 823156941 /nfs/dbraw/zinc/15/69/41/823156941.db2.gz AGWZLPZGYOXKAU-IBGZPJMESA-N -1 1 388.423 4.437 20 30 GIEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(CCC#N)CCC(C)C)c1 ZINC000176224763 823157022 /nfs/dbraw/zinc/15/70/22/823157022.db2.gz TWEDLQMRHGIRFS-UHFFFAOYSA-N -1 1 385.537 4.095 20 30 GIEDMM N#CC(=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2[nH]1 ZINC000121524282 823199987 /nfs/dbraw/zinc/19/99/87/823199987.db2.gz DUJXNQBLKRJWBL-AWEZNQCLSA-N -1 1 395.344 4.257 20 30 GIEDMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188390750 823232166 /nfs/dbraw/zinc/23/21/66/823232166.db2.gz KBGNMXPYDAXEPS-GOSISDBHSA-N -1 1 388.471 4.214 20 30 GIEDMM N#Cc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1[O-] ZINC000189046240 823347567 /nfs/dbraw/zinc/34/75/67/823347567.db2.gz PINNXGMVBAASKM-UHFFFAOYSA-N -1 1 383.860 4.013 20 30 GIEDMM C[C@@H]1CCC[C@@H](CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000122407954 823350178 /nfs/dbraw/zinc/35/01/78/823350178.db2.gz JESAELXNNWMQQQ-UMVBOHGHSA-N -1 1 383.517 4.256 20 30 GIEDMM C=CCN(Cc1ccc(OC)cc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058206055 823368540 /nfs/dbraw/zinc/36/85/40/823368540.db2.gz QNVLXZJEQKKLOD-UHFFFAOYSA-N -1 1 386.546 4.247 20 30 GIEDMM O=C(COC(c1ccccc1)c1ccccc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026254249 820075824 /nfs/dbraw/zinc/07/58/24/820075824.db2.gz MVYRKWOAJJCGLQ-UHFFFAOYSA-N -1 1 376.338 4.218 20 30 GIEDMM O=S(=O)([N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1F ZINC000026877414 820157192 /nfs/dbraw/zinc/15/71/92/820157192.db2.gz YLATUKRUJULLTA-IUCAKERBSA-N -1 1 393.324 4.014 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000028641184 820346746 /nfs/dbraw/zinc/34/67/46/820346746.db2.gz SRRCLPFYLJMWDT-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM N#C[C@@H](C(=O)c1ccc(Cl)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000060488421 823533716 /nfs/dbraw/zinc/53/37/16/823533716.db2.gz MEYIXVNBOGMNPK-VIFPVBQESA-N -1 1 389.889 4.068 20 30 GIEDMM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496046 821199248 /nfs/dbraw/zinc/19/92/48/821199248.db2.gz ZCCIDXKUNLZGGT-OAHLLOKOSA-N -1 1 376.416 4.400 20 30 GIEDMM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000041533937 821206230 /nfs/dbraw/zinc/20/62/30/821206230.db2.gz XUVMEHLHIDUVDI-GOSISDBHSA-N -1 1 387.464 4.427 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)CCc3cccc(C)c3)n2)n[n-]c1=S ZINC000044543557 821604796 /nfs/dbraw/zinc/60/47/96/821604796.db2.gz SEXTVNYBIQJHJL-UHFFFAOYSA-N -1 1 399.545 4.054 20 30 GIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000178941125 822423394 /nfs/dbraw/zinc/42/33/94/822423394.db2.gz SRGCOQKHMAMXIC-UHFFFAOYSA-N -1 1 378.734 4.170 20 30 GIEDMM N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706942 822507645 /nfs/dbraw/zinc/50/76/45/822507645.db2.gz YEYHETLXCGPTCH-ZDUSSCGKSA-N -1 1 383.860 4.419 20 30 GIEDMM CCOc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707063 822507717 /nfs/dbraw/zinc/50/77/17/822507717.db2.gz RFSMGYNSSLEGHB-OAHLLOKOSA-N -1 1 393.468 4.164 20 30 GIEDMM Cc1cc(C)cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707048 822507791 /nfs/dbraw/zinc/50/77/91/822507791.db2.gz OKQANTACGAJOSW-OAHLLOKOSA-N -1 1 377.469 4.383 20 30 GIEDMM N#CC(=C([O-])c1ccc(Br)s1)c1ccc(C(F)(F)F)cn1 ZINC000048828658 822685117 /nfs/dbraw/zinc/68/51/17/822685117.db2.gz HXKLPSCBIPBLDA-MRVPVSSYSA-N -1 1 375.169 4.414 20 30 GIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@@H](C)OC)nc2C)cc1 ZINC000175108266 822883561 /nfs/dbraw/zinc/88/35/61/822883561.db2.gz OZHWTDBPRICWEQ-PBHICJAKSA-N -1 1 399.516 4.463 20 30 GIEDMM CC(=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000054429644 822884733 /nfs/dbraw/zinc/88/47/33/822884733.db2.gz BBUMWOHXQNMBPN-SICOMBFOSA-N -1 1 389.480 4.143 20 30 GIEDMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055619496 822988407 /nfs/dbraw/zinc/98/84/07/822988407.db2.gz LKGUDVUMPMXERM-UHFFFAOYSA-N -1 1 399.697 4.392 20 30 GIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)cc1 ZINC000055630001 822989758 /nfs/dbraw/zinc/98/97/58/822989758.db2.gz YEQYSHQNGLMPCM-UHFFFAOYSA-N -1 1 392.480 4.441 20 30 GIEDMM Cc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000123842646 823544726 /nfs/dbraw/zinc/54/47/26/823544726.db2.gz BTECYXFMBULPIW-CZUORRHYSA-N -1 1 391.496 4.152 20 30 GIEDMM N#CC(=C([O-])c1ccccc1NC(=O)c1ccccc1)c1cnc2ccccc2n1 ZINC000190966746 823631775 /nfs/dbraw/zinc/63/17/75/823631775.db2.gz NFIHVGIAOFOQTG-GOSISDBHSA-N -1 1 392.418 4.372 20 30 GIEDMM N#C[C@@H](C(=O)c1csc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000191372584 823678054 /nfs/dbraw/zinc/67/80/54/823678054.db2.gz NVEDKDHLDJRFFZ-JTQLQIEISA-N -1 1 389.889 4.068 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000191569713 823701615 /nfs/dbraw/zinc/70/16/15/823701615.db2.gz OQJNMTQMJLDHDQ-UHFFFAOYSA-N -1 1 389.517 4.365 20 30 GIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)ccc1Cl ZINC000063879268 823704813 /nfs/dbraw/zinc/70/48/13/823704813.db2.gz QJMZSADEQJRXRP-UHFFFAOYSA-N -1 1 389.889 4.500 20 30 GIEDMM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188464693 823244682 /nfs/dbraw/zinc/24/46/82/823244682.db2.gz KFTTZKGGSATVRW-UHFFFAOYSA-N -1 1 396.834 4.020 20 30 GIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000189246271 823381020 /nfs/dbraw/zinc/38/10/20/823381020.db2.gz JPVCEONJKBCMAO-UHFFFAOYSA-N -1 1 382.407 4.393 20 30 GIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460458157 823396230 /nfs/dbraw/zinc/39/62/30/823396230.db2.gz YVHLMPNRXBGECA-UHFFFAOYSA-N -1 1 388.395 4.156 20 30 GIEDMM C=CC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000410133503 823398716 /nfs/dbraw/zinc/39/87/16/823398716.db2.gz ICWNZWKFRAHYJP-GOSISDBHSA-N -1 1 386.517 4.189 20 30 GIEDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410325769 823463675 /nfs/dbraw/zinc/46/36/75/823463675.db2.gz LORDWINMZVAGHT-SNVBAGLBSA-N -1 1 386.399 4.005 20 30 GIEDMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc2C)c1 ZINC000460822965 823522466 /nfs/dbraw/zinc/52/24/66/823522466.db2.gz HTXBXRRFPWSZNR-UHFFFAOYSA-N -1 1 393.468 4.472 20 30 GIEDMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2C)c1 ZINC000460823292 823522532 /nfs/dbraw/zinc/52/25/32/823522532.db2.gz PSPOFKOQDOTIRX-UHFFFAOYSA-N -1 1 379.441 4.163 20 30 GIEDMM N#CC(=C([O-])c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000041537641 821206743 /nfs/dbraw/zinc/20/67/43/821206743.db2.gz LBOFIAJWXWYHFN-GOSISDBHSA-N -1 1 387.464 4.427 20 30 GIEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c2ccccc12 ZINC000180176754 822632808 /nfs/dbraw/zinc/63/28/08/822632808.db2.gz DALGIWBOKGOWJH-UHFFFAOYSA-N -1 1 399.859 4.124 20 30 GIEDMM C=CCCN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000455778318 822724855 /nfs/dbraw/zinc/72/48/55/822724855.db2.gz DLNXIEFATCJZNH-UHFFFAOYSA-N -1 1 387.505 4.144 20 30 GIEDMM N#CC(=C([O-])c1cccc(NC(=O)NC2CC2)c1)c1nc2ccccc2s1 ZINC000054802153 822913806 /nfs/dbraw/zinc/91/38/06/822913806.db2.gz SMJUSQHQTISFBC-HNNXBMFYSA-N -1 1 376.441 4.070 20 30 GIEDMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000055639918 822990785 /nfs/dbraw/zinc/99/07/85/822990785.db2.gz RTZWVTLWNNUQBG-UHFFFAOYSA-N -1 1 388.489 4.205 20 30 GIEDMM COc1cccc(C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2)c1 ZINC000187235347 823028871 /nfs/dbraw/zinc/02/88/71/823028871.db2.gz SSMDEVVGBINWIC-LJQANCHMSA-N -1 1 395.418 4.293 20 30 GIEDMM N#CC(=C([O-])c1cc2c(s1)-c1ccccc1CC2)c1nnc2n1CCCCC2 ZINC000060851465 823562279 /nfs/dbraw/zinc/56/22/79/823562279.db2.gz IHLQDINXZDEZTD-QGZVFWFLSA-N -1 1 388.496 4.322 20 30 GIEDMM N#CC(=C([O-])c1ccccc1NC(=O)c1ccccc1)c1cnc2ccccc2n1 ZINC000190966733 823631772 /nfs/dbraw/zinc/63/17/72/823631772.db2.gz NFIHVGIAOFOQTG-SFHVURJKSA-N -1 1 392.418 4.372 20 30 GIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1Cl ZINC000063911669 823710164 /nfs/dbraw/zinc/71/01/64/823710164.db2.gz KCRGWTQKORHANM-UHFFFAOYSA-N -1 1 378.734 4.170 20 30 GIEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000121286292 823155464 /nfs/dbraw/zinc/15/54/64/823155464.db2.gz DNSSUJBAHXMRIW-LLVKDONJSA-N -1 1 387.873 4.486 20 30 GIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc(N2CCOC2=O)cc1 ZINC000121517381 823198598 /nfs/dbraw/zinc/19/85/98/823198598.db2.gz YYWLWTUYAXHHGE-LREOWRDNSA-N -1 1 388.217 4.007 20 30 GIEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)oc1C ZINC000057120374 823250887 /nfs/dbraw/zinc/25/08/87/823250887.db2.gz LXFSJHLAUHGFON-UHFFFAOYSA-N -1 1 387.848 4.284 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000024457851 819058875 /nfs/dbraw/zinc/05/88/75/819058875.db2.gz FAGLTGAPFOSRFD-UHFFFAOYSA-N -1 1 392.908 4.179 20 30 GIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1 ZINC000460442406 823390968 /nfs/dbraw/zinc/39/09/68/823390968.db2.gz FBSWBCASGOPPPP-UHFFFAOYSA-N -1 1 388.395 4.156 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(F)c(OC)c3)n2)cc1 ZINC000123252924 823485694 /nfs/dbraw/zinc/48/56/94/823485694.db2.gz ZVFFMVJRCJCVLI-HNNXBMFYSA-N -1 1 382.416 4.456 20 30 GIEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(Cl)o3)s2)cc1 ZINC000032531051 820965374 /nfs/dbraw/zinc/96/53/74/820965374.db2.gz AFPLOUQBJFVMKP-UHFFFAOYSA-N -1 1 376.850 4.201 20 30 GIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1Cl ZINC000032589408 820973495 /nfs/dbraw/zinc/97/34/95/820973495.db2.gz PPINSWDAGFVZDV-UHFFFAOYSA-N -1 1 393.198 4.267 20 30 GIEDMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2C)c1 ZINC000460826334 823523434 /nfs/dbraw/zinc/52/34/34/823523434.db2.gz HDRNXLMMDFTHNG-UHFFFAOYSA-N -1 1 393.468 4.472 20 30 GIEDMM O=C(CCOCC(F)(F)F)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000182378399 822221350 /nfs/dbraw/zinc/22/13/50/822221350.db2.gz LRANDXZCBVRPMX-LLVKDONJSA-N -1 1 397.237 4.394 20 30 GIEDMM N#C[C@H](C(=O)c1cc(F)cc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707266 822507729 /nfs/dbraw/zinc/50/77/29/822507729.db2.gz UQLVRZYNGKFYMI-CYBMUJFWSA-N -1 1 385.395 4.044 20 30 GIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@H](C)OC)nc2C)cc1 ZINC000175108293 822883620 /nfs/dbraw/zinc/88/36/20/822883620.db2.gz OZHWTDBPRICWEQ-YOEHRIQHSA-N -1 1 399.516 4.463 20 30 GIEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2ncc(C)c(=O)[n-]2)c1C#N ZINC000569473465 822927068 /nfs/dbraw/zinc/92/70/68/822927068.db2.gz ZMXZDRDPZGKGEI-UHFFFAOYSA-N -1 1 399.520 4.017 20 30 GIEDMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2o1 ZINC000055586270 822982477 /nfs/dbraw/zinc/98/24/77/822982477.db2.gz TZGCXGUZMSRHSJ-UHFFFAOYSA-N -1 1 375.837 4.277 20 30 GIEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000063181226 823654695 /nfs/dbraw/zinc/65/46/95/823654695.db2.gz LLKUHTDPEHEUNM-UHFFFAOYSA-N -1 1 391.880 4.060 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000191571123 823702048 /nfs/dbraw/zinc/70/20/48/823702048.db2.gz DPIJYWJBOYZTFG-UHFFFAOYSA-N -1 1 386.517 4.041 20 30 GIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063913147 823710060 /nfs/dbraw/zinc/71/00/60/823710060.db2.gz CFZBSVAEYWKKCX-UHFFFAOYSA-N -1 1 375.343 4.210 20 30 GIEDMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168596450 823904578 /nfs/dbraw/zinc/90/45/78/823904578.db2.gz HWKPRUQOVABJSU-UHFFFAOYSA-N -1 1 385.670 4.083 20 30 GIEDMM Cc1ccc(NC(=O)CCCC#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000462298681 823915774 /nfs/dbraw/zinc/91/57/74/823915774.db2.gz OTJZZXJYIOZXPN-UHFFFAOYSA-N -1 1 391.880 4.082 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1Cl ZINC000065079796 823937347 /nfs/dbraw/zinc/93/73/47/823937347.db2.gz ODGXHIQOCCEMPE-UHFFFAOYSA-N -1 1 385.832 4.200 20 30 GIEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121755582 823244109 /nfs/dbraw/zinc/24/41/09/823244109.db2.gz OIKDEVZNYKHGBR-CYBMUJFWSA-N -1 1 383.766 4.095 20 30 GIEDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410325768 823463584 /nfs/dbraw/zinc/46/35/84/823463584.db2.gz LORDWINMZVAGHT-JTQLQIEISA-N -1 1 386.399 4.005 20 30 GIEDMM C#Cc1cccc(NC(=O)CCn2c(-c3ccc(OCC)cc3)n[n-]c2=S)c1 ZINC000029476579 820460763 /nfs/dbraw/zinc/46/07/63/820460763.db2.gz SRVVOUSDMXNWNJ-UHFFFAOYSA-N -1 1 392.484 4.016 20 30 GIEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c(C)c1F ZINC000181147090 821663344 /nfs/dbraw/zinc/66/33/44/821663344.db2.gz ANUBJTRPFXLTJB-LBPRGKRZSA-N -1 1 394.493 4.195 20 30 GIEDMM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000182851967 822379035 /nfs/dbraw/zinc/37/90/35/822379035.db2.gz HCZZTBOFQJKIQU-AWEZNQCLSA-N -1 1 393.353 4.280 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc([C@H](C)C(F)(F)F)cc2)n1 ZINC000453625022 822395069 /nfs/dbraw/zinc/39/50/69/822395069.db2.gz GGJPFVJJIFBETG-GXFFZTMASA-N -1 1 396.390 4.476 20 30 GIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)cc2C)n1 ZINC000453628076 822395506 /nfs/dbraw/zinc/39/55/06/822395506.db2.gz MESHGBLEEPGMCR-GFCCVEGCSA-N -1 1 382.363 4.137 20 30 GIEDMM Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000046707115 822507654 /nfs/dbraw/zinc/50/76/54/822507654.db2.gz LRXCFHHFKSAZBK-HNNXBMFYSA-N -1 1 377.469 4.383 20 30 GIEDMM CCc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707103 822507799 /nfs/dbraw/zinc/50/77/99/822507799.db2.gz PGGKNOYMLJOFQX-OAHLLOKOSA-N -1 1 377.469 4.328 20 30 GIEDMM N#C[C@H](C(=O)c1cc2ccccc2o1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707207 822507805 /nfs/dbraw/zinc/50/78/05/822507805.db2.gz BITAZROIZYLCIW-CYBMUJFWSA-N -1 1 389.436 4.100 20 30 GIEDMM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1ccc2ccccc2n1 ZINC000047375927 822572305 /nfs/dbraw/zinc/57/23/05/822572305.db2.gz XIGFQOBCSBWKRV-IBGZPJMESA-N -1 1 378.435 4.399 20 30 GIEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC[C@@H]2C)cc1C ZINC000185629022 822804192 /nfs/dbraw/zinc/80/41/92/822804192.db2.gz APPCMEQJPQXQHU-INIZCTEOSA-N -1 1 399.516 4.055 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1Cl ZINC000063879267 823704739 /nfs/dbraw/zinc/70/47/39/823704739.db2.gz CJAILTNDYNSLAG-UHFFFAOYSA-N -1 1 389.889 4.500 20 30 GIEDMM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc2cc(Cl)ccc2s1 ZINC000165625759 823855969 /nfs/dbraw/zinc/85/59/69/823855969.db2.gz IZRSUNRBZRYBTN-AWEZNQCLSA-N -1 1 379.832 4.020 20 30 GIEDMM C=CCCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000176496975 823221478 /nfs/dbraw/zinc/22/14/78/823221478.db2.gz NDPMQVYLPROHTI-UHFFFAOYSA-N -1 1 394.880 4.141 20 30 GIEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000057123182 823251417 /nfs/dbraw/zinc/25/14/17/823251417.db2.gz AKUNDTJZACJMEB-UHFFFAOYSA-N -1 1 392.436 4.354 20 30 GIEDMM C=CCn1c(-c2sc(NC(=O)C(C)=C3CCCC3)nc2C)n[n-]c1=S ZINC000176629488 823252738 /nfs/dbraw/zinc/25/27/38/823252738.db2.gz GCUDRCNBXDSCIT-UHFFFAOYSA-N -1 1 375.523 4.388 20 30 GIEDMM C=CCn1c(Cc2csc(NC(=O)C[C@H](C)c3ccccc3)n2)n[n-]c1=S ZINC000026042544 820052580 /nfs/dbraw/zinc/05/25/80/820052580.db2.gz SJGVKWIOUGRTKT-ZDUSSCGKSA-N -1 1 399.545 4.306 20 30 GIEDMM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514925 821203163 /nfs/dbraw/zinc/20/31/63/821203163.db2.gz SRKCFLCICAYMDD-CYBMUJFWSA-N -1 1 398.831 4.444 20 30 GIEDMM N#C[C@H](C(=O)CCC1CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707117 822507700 /nfs/dbraw/zinc/50/77/00/822507700.db2.gz RNTBOZUXGIJTDJ-OAHLLOKOSA-N -1 1 383.517 4.400 20 30 GIEDMM Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000047359180 822570493 /nfs/dbraw/zinc/57/04/93/822570493.db2.gz KQLLRAKUCJRXJN-GFCCVEGCSA-N -1 1 380.473 4.408 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([S@](C)=O)cc3)n2)cc1 ZINC000051150945 822748372 /nfs/dbraw/zinc/74/83/72/822748372.db2.gz FAHGMKBGHPPNOS-WGDIFIGCSA-N -1 1 380.494 4.346 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C(C)(C)C ZINC000051656477 822772058 /nfs/dbraw/zinc/77/20/58/822772058.db2.gz GJGCJSWNOYDQHQ-LBPRGKRZSA-N -1 1 385.418 4.435 20 30 GIEDMM CC(=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000054429646 822884745 /nfs/dbraw/zinc/88/47/45/822884745.db2.gz BBUMWOHXQNMBPN-BYIUCRAPSA-N -1 1 389.480 4.143 20 30 GIEDMM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000055664279 822996141 /nfs/dbraw/zinc/99/61/41/822996141.db2.gz QBZREOLPPOMDNJ-UHFFFAOYSA-N -1 1 396.443 4.272 20 30 GIEDMM N#Cc1cccc(COc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2)c1 ZINC000570365678 823029599 /nfs/dbraw/zinc/02/95/99/823029599.db2.gz OZSSUTGVYXOGSI-UHFFFAOYSA-N -1 1 380.350 4.373 20 30 GIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190291524 823559576 /nfs/dbraw/zinc/55/95/76/823559576.db2.gz MKOYQSGWSLXOAI-AWEZNQCLSA-N -1 1 386.498 4.256 20 30 GIEDMM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190736165 823603304 /nfs/dbraw/zinc/60/33/04/823603304.db2.gz MOQKNGAEUXYGJW-UHFFFAOYSA-N -1 1 388.471 4.139 20 30 GIEDMM C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)C1 ZINC000062930737 823649634 /nfs/dbraw/zinc/64/96/34/823649634.db2.gz IOCNLQRKUBIVEY-UZLBHIALSA-N -1 1 384.501 4.454 20 30 GIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(OC)c(F)c3)n2)cc1 ZINC000121853354 823263311 /nfs/dbraw/zinc/26/33/11/823263311.db2.gz PXVPYHVABMILBN-OAHLLOKOSA-N -1 1 382.416 4.456 20 30 GIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000026544119 820112035 /nfs/dbraw/zinc/11/20/35/820112035.db2.gz AWUSIRQFWUZPBF-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)c2)n1 ZINC000410337211 823466964 /nfs/dbraw/zinc/46/69/64/823466964.db2.gz IVYLZEVSYVJBDA-UHFFFAOYSA-N -1 1 389.889 4.444 20 30 GIEDMM CSc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000123456197 823510754 /nfs/dbraw/zinc/51/07/54/823510754.db2.gz WEJKNHFJPMPYCV-AWEZNQCLSA-N -1 1 395.509 4.075 20 30 GIEDMM COc1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)c([N+](=O)[O-])cc1F ZINC000410927770 823522810 /nfs/dbraw/zinc/52/28/10/823522810.db2.gz IIBRHKOQUDYMRR-UHFFFAOYSA-N -1 1 377.397 4.225 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)CCC(=O)N4)n2)cc1 ZINC000041512732 821202770 /nfs/dbraw/zinc/20/27/70/821202770.db2.gz XTVOZOWEBRZKFW-QGZVFWFLSA-N -1 1 387.464 4.493 20 30 GIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000041521480 821205078 /nfs/dbraw/zinc/20/50/78/821205078.db2.gz XMINZBCEWJQWDO-INIZCTEOSA-N -1 1 392.440 4.462 20 30 GIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C(C)(C)C ZINC000051656476 822771996 /nfs/dbraw/zinc/77/19/96/822771996.db2.gz GJGCJSWNOYDQHQ-GFCCVEGCSA-N -1 1 385.418 4.435 20 30 GIEDMM CCOc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000054801803 822913821 /nfs/dbraw/zinc/91/38/21/822913821.db2.gz OCNHMDMBYSNFBE-OAHLLOKOSA-N -1 1 393.468 4.164 20 30 GIEDMM COc1ccc(OCc2nc(/C=C3/Cc4cc([O-])ccc4C3=O)cs2)cc1 ZINC000187230518 823028146 /nfs/dbraw/zinc/02/81/46/823028146.db2.gz MSQWPEJWVHRJSO-ZROIWOOFSA-N -1 1 379.437 4.259 20 30 GIEDMM Cc1cccc([C@@H](C)C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000123843007 823544916 /nfs/dbraw/zinc/54/49/16/823544916.db2.gz BTECYXFMBULPIW-CJNGLKHVSA-N -1 1 391.496 4.152 20 30 GIEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1NC(=O)CC(C)C ZINC000190975217 823633153 /nfs/dbraw/zinc/63/31/53/823633153.db2.gz WKGGUFWVIKUJLL-KRWDZBQOSA-N -1 1 386.455 4.413 20 30 GIEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1NC(=O)CC(C)C ZINC000190975234 823633160 /nfs/dbraw/zinc/63/31/60/823633160.db2.gz WKGGUFWVIKUJLL-QGZVFWFLSA-N -1 1 386.455 4.413 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000191568245 823701354 /nfs/dbraw/zinc/70/13/54/823701354.db2.gz IDQPURZPGZDFDO-UHFFFAOYSA-N -1 1 391.464 4.265 20 30 GIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000191568701 823701364 /nfs/dbraw/zinc/70/13/64/823701364.db2.gz PDQNSFGBCPAYOZ-UHFFFAOYSA-N -1 1 398.528 4.466 20 30 GIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000462098932 823827455 /nfs/dbraw/zinc/82/74/55/823827455.db2.gz CZWMHNODWGYGDS-UHFFFAOYSA-N -1 1 395.484 4.343 20 30 GIEDMM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)s2)cc1 ZINC000188407314 823235570 /nfs/dbraw/zinc/23/55/70/823235570.db2.gz ONLWOTQZXWVSJL-LBPRGKRZSA-N -1 1 393.468 4.195 20 30 GIEDMM CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000006537225 817702252 /nfs/dbraw/zinc/70/22/52/817702252.db2.gz YKAXOESDXZUSIT-VOTSOKGWSA-N -1 1 392.205 4.358 20 30 GIEDMM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000057430571 823295414 /nfs/dbraw/zinc/29/54/14/823295414.db2.gz NNHFNZOQUKYYMS-UHFFFAOYSA-N -1 1 393.803 4.493 20 30 GIEDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NC1CCCCC1 ZINC000007932417 817963533 /nfs/dbraw/zinc/96/35/33/817963533.db2.gz GYUORPUHAIYPRV-UHFFFAOYSA-N -1 1 388.449 4.128 20 30 GIEDMM C[C@H](C#N)Sc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000017536795 818519652 /nfs/dbraw/zinc/51/96/52/818519652.db2.gz KFCLBQOZTCSDTI-SNVBAGLBSA-N -1 1 393.877 4.286 20 30 GIEDMM C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000025303398 819958689 /nfs/dbraw/zinc/95/86/89/819958689.db2.gz IOSWDTJNWFDHDQ-UHFFFAOYSA-N -1 1 386.517 4.142 20 30 GIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000026544123 820111853 /nfs/dbraw/zinc/11/18/53/820111853.db2.gz KENNWZLFQYZTQW-UHFFFAOYSA-N -1 1 382.416 4.077 20 30 GIEDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000026547954 820112581 /nfs/dbraw/zinc/11/25/81/820112581.db2.gz WVFXCOKMBVBGHR-UHFFFAOYSA-N -1 1 399.516 4.273 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(NC(N)=O)cc3)n2)cc1 ZINC000041512241 821202008 /nfs/dbraw/zinc/20/20/08/821202008.db2.gz RXVBSXZQDPQRAW-MRXNPFEDSA-N -1 1 376.441 4.099 20 30 GIEDMM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514162 821203412 /nfs/dbraw/zinc/20/34/12/821203412.db2.gz WTYSDKWNNJLSAK-OAHLLOKOSA-N -1 1 381.844 4.052 20 30 GIEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514302 821203435 /nfs/dbraw/zinc/20/34/35/821203435.db2.gz ORKHPMAALHGUSB-HNNXBMFYSA-N -1 1 396.859 4.444 20 30 GIEDMM Cc1scc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000180733145 821422912 /nfs/dbraw/zinc/42/29/12/821422912.db2.gz FBGDVQFSMXINIZ-LBPRGKRZSA-N -1 1 383.498 4.032 20 30 GIEDMM O=C(CCOCC(F)(F)F)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000182378382 822221279 /nfs/dbraw/zinc/22/12/79/822221279.db2.gz LRANDXZCBVRPMX-NSHDSACASA-N -1 1 397.237 4.394 20 30 GIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([S@](C)=O)cc3)n2)cc1 ZINC000051150943 822748443 /nfs/dbraw/zinc/74/84/43/822748443.db2.gz FAHGMKBGHPPNOS-MRDQGFSESA-N -1 1 380.494 4.346 20 30 GIEDMM N#C[C@H](C(=O)CC1CCCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000175089431 822880331 /nfs/dbraw/zinc/88/03/31/822880331.db2.gz XJPURASKHAESPM-OAHLLOKOSA-N -1 1 383.517 4.400 20 30 GIEDMM CC(=O)N(c1nc(/C=C2\Oc3cc([O-])ccc3C2=O)cs1)c1ccc(F)cc1 ZINC000054897888 822920323 /nfs/dbraw/zinc/92/03/23/822920323.db2.gz DVIIDVBZNXVRJP-LSCVHKIXSA-N -1 1 396.399 4.289 20 30 GIEDMM CC(=O)N(c1nc(/C=C2/Oc3cc([O-])ccc3C2=O)cs1)c1ccc(C)cc1 ZINC000054897878 822920439 /nfs/dbraw/zinc/92/04/39/822920439.db2.gz DJQBAISMHYCQNF-DJKKODMXSA-N -1 1 392.436 4.458 20 30 GIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000055640085 822990842 /nfs/dbraw/zinc/99/08/42/822990842.db2.gz GRYVISJDMDNUMC-UHFFFAOYSA-N -1 1 385.272 4.477 20 30 GIEDMM COc1cccc(C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2)c1 ZINC000187235370 823028788 /nfs/dbraw/zinc/02/87/88/823028788.db2.gz SSMDEVVGBINWIC-IBGZPJMESA-N -1 1 395.418 4.293 20 30 GIEDMM N#Cc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1[O-] ZINC000190723964 823602273 /nfs/dbraw/zinc/60/22/73/823602273.db2.gz OURYFFWFORHJQP-UHFFFAOYSA-N -1 1 381.819 4.078 20 30 GIEDMM C=C(C)C[C@@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412281832 823642615 /nfs/dbraw/zinc/64/26/15/823642615.db2.gz ALUZHJFRORBSNN-MRVPVSSYSA-N -1 1 377.076 4.458 20 30 GIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000462104512 823829235 /nfs/dbraw/zinc/82/92/35/823829235.db2.gz RARSRVSTQOTEKV-UHFFFAOYSA-N -1 1 383.395 4.200 20 30 GIEDMM