smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H](CCC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214485 932117403 /nfs/dbraw/zinc/11/74/03/932117403.db2.gz DAMDECSLACNKCN-NSHDSACASA-N -1 1 290.315 3.241 20 30 CGEDMM C#C[C@H]1CCC[C@H]1Oc1cc([O-])ccc1C(=O)CC ZINC001229478003 932158314 /nfs/dbraw/zinc/15/83/14/932158314.db2.gz SJWMZLNXBNFZNW-XHDPSFHLSA-N -1 1 258.317 3.166 20 30 CGEDMM CCCCCCC[C@H](C)Oc1nc(C(=O)OC)c[n-]1 ZINC001230279678 932551598 /nfs/dbraw/zinc/55/15/98/932551598.db2.gz HJIFBROETYZLTP-NSHDSACASA-N -1 1 268.357 3.324 20 30 CGEDMM COc1cc(C(F)(F)F)c(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242566047 932702791 /nfs/dbraw/zinc/70/27/91/932702791.db2.gz GPJIHPAAXJWQOR-UHFFFAOYSA-N -1 1 294.232 3.353 20 30 CGEDMM COc1cc(-c2cc(F)c([O-])c(F)c2)ccc1CC#N ZINC001244094218 932706941 /nfs/dbraw/zinc/70/69/41/932706941.db2.gz QHIPEKUVJLVADF-UHFFFAOYSA-N -1 1 275.254 3.412 20 30 CGEDMM C=CCCCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001467375630 937717746 /nfs/dbraw/zinc/71/77/46/937717746.db2.gz PLOGSJZTDYFMEI-UHFFFAOYSA-N -1 1 288.322 3.166 20 30 CGEDMM CC(=O)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1[O-] ZINC001472525333 937777143 /nfs/dbraw/zinc/77/71/43/937777143.db2.gz DELLTSSECSMKPZ-UHFFFAOYSA-N -1 1 294.310 3.027 20 30 CGEDMM N#Cc1cc(C(=O)Nc2c([O-])cccc2Cl)cs1 ZINC001556784708 938205819 /nfs/dbraw/zinc/20/58/19/938205819.db2.gz CCAABUDMFDBQJC-UHFFFAOYSA-N -1 1 278.720 3.231 20 30 CGEDMM N#Cc1ccc([O-])c(Nc2cc(F)c(C#N)c(F)c2)c1 ZINC001203677648 957891595 /nfs/dbraw/zinc/89/15/95/957891595.db2.gz ABWANDFGAYZCMN-UHFFFAOYSA-N -1 1 271.226 3.157 20 30 CGEDMM Cc1ccccc1C(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590507661 346848820 /nfs/dbraw/zinc/84/88/20/346848820.db2.gz GTYOTQKWHXZEGD-UHFFFAOYSA-N -1 1 294.354 3.237 20 30 CGEDMM CCc1ccc(C(=O)Nc2cc(C#N)ccc2NC)c([O-])c1 ZINC000436671834 529609513 /nfs/dbraw/zinc/60/95/13/529609513.db2.gz AXWWYDOAHYGPRT-UHFFFAOYSA-N -1 1 295.342 3.120 20 30 CGEDMM Cc1csc(C(C#N)=C([O-])c2cccc3cnccc32)n1 ZINC000075025174 345491531 /nfs/dbraw/zinc/49/15/31/345491531.db2.gz DMGYTOTVIYNYHO-AWEZNQCLSA-N -1 1 293.351 3.490 20 30 CGEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000589175767 346787307 /nfs/dbraw/zinc/78/73/07/346787307.db2.gz USUNHXRFRXBTNU-MRXNPFEDSA-N -1 1 286.375 3.353 20 30 CGEDMM N#CC1(CNC(=O)c2cc3ccccc3cc2[O-])CCCC1 ZINC000593779943 347114968 /nfs/dbraw/zinc/11/49/68/347114968.db2.gz OXPYWNYJILXAOQ-UHFFFAOYSA-N -1 1 294.354 3.359 20 30 CGEDMM C[C@H](N=c1[n-]c(C#N)c(Cl)s1)C1CCCC1 ZINC000596128500 347386056 /nfs/dbraw/zinc/38/60/56/347386056.db2.gz LXXGKSLOGKPEBY-ZETCQYMHSA-N -1 1 255.774 3.081 20 30 CGEDMM N#Cc1[n-]c(=N[C@@H]2CCCC(F)(F)C2)sc1Cl ZINC000596166316 347393210 /nfs/dbraw/zinc/39/32/10/347393210.db2.gz TWTWWXCSHJPRLD-ZCFIWIBFSA-N -1 1 277.727 3.080 20 30 CGEDMM CC(C)(C)[C@H]1C[C@@H](N=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596178563 347394752 /nfs/dbraw/zinc/39/47/52/347394752.db2.gz KWBZONYLJGCDPU-WCBMZHEXSA-N -1 1 299.827 3.096 20 30 CGEDMM CCC(F)(F)C(C)(C)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000600388725 347798454 /nfs/dbraw/zinc/79/84/54/347798454.db2.gz OBWWJPQMWLJAHD-UHFFFAOYSA-N -1 1 296.317 3.065 20 30 CGEDMM CCc1cccc(C(=O)Nc2cc(C#N)ccc2C)c1[O-] ZINC000611279726 348435152 /nfs/dbraw/zinc/43/51/52/348435152.db2.gz HEINEUHHSYKEDP-UHFFFAOYSA-N -1 1 280.327 3.387 20 30 CGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(C2)CCCCC3)c1 ZINC000614299951 348666287 /nfs/dbraw/zinc/66/62/87/348666287.db2.gz QFQFTYWMXAALIQ-UHFFFAOYSA-N -1 1 284.359 3.060 20 30 CGEDMM Cc1cc(C)c(NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000614364109 348669909 /nfs/dbraw/zinc/66/99/09/348669909.db2.gz XPSNPOXIXGRUOF-UHFFFAOYSA-N -1 1 280.327 3.441 20 30 CGEDMM C=CCN(C(=O)c1ccc2ccccc2c1[O-])[C@H](C)COC ZINC000617575793 348976059 /nfs/dbraw/zinc/97/60/59/348976059.db2.gz FHVUPVBNMFNAPW-CYBMUJFWSA-N -1 1 299.370 3.209 20 30 CGEDMM C=CC[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000617776997 349007324 /nfs/dbraw/zinc/00/73/24/349007324.db2.gz GHBJHNNXRTYKPU-CYBMUJFWSA-N -1 1 296.370 3.369 20 30 CGEDMM Cc1cccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c1C ZINC000358742498 233186533 /nfs/dbraw/zinc/18/65/33/233186533.db2.gz FQPSLPJIGALIGJ-UHFFFAOYSA-N -1 1 294.354 3.153 20 30 CGEDMM C=CC[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000628485238 350553889 /nfs/dbraw/zinc/55/38/89/350553889.db2.gz FRNMZIYOQDHPEV-JTQLQIEISA-N -1 1 265.740 3.084 20 30 CGEDMM C=C(C)CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023513 350927875 /nfs/dbraw/zinc/92/78/75/350927875.db2.gz UXOLVLPEXHVBLB-UHFFFAOYSA-N -1 1 250.367 3.426 20 30 CGEDMM Cn1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430593727 372390483 /nfs/dbraw/zinc/39/04/83/372390483.db2.gz FKHDHLASWBIKDY-LLVKDONJSA-N -1 1 287.388 3.269 20 30 CGEDMM N#Cc1ccc(C(=O)N[C@H](c2cccs2)C2CC2)cc1[O-] ZINC000442641860 373060607 /nfs/dbraw/zinc/06/06/07/373060607.db2.gz BBIDGQAYMDPCQT-HNNXBMFYSA-N -1 1 298.367 3.206 20 30 CGEDMM C[C@@H](CN(C)C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442646487 373060968 /nfs/dbraw/zinc/06/09/68/373060968.db2.gz JZFKGDOBIPDQST-ZDUSSCGKSA-N -1 1 294.354 3.140 20 30 CGEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCC[C@@H]1C ZINC000188071687 375152276 /nfs/dbraw/zinc/15/22/76/375152276.db2.gz QLGNEGVXSKFION-WFASDCNBSA-N -1 1 286.375 3.305 20 30 CGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1[O-] ZINC000188224270 375179427 /nfs/dbraw/zinc/17/94/27/375179427.db2.gz NLRWRSFUTWOWMR-CYBMUJFWSA-N -1 1 298.367 3.303 20 30 CGEDMM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188997354 375307721 /nfs/dbraw/zinc/30/77/21/375307721.db2.gz AVIPMXJFKXNYQC-HNNXBMFYSA-N -1 1 286.375 3.305 20 30 CGEDMM CCCN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190027532 375469489 /nfs/dbraw/zinc/46/94/89/375469489.db2.gz OPWPEICHYFKWKL-UHFFFAOYSA-N -1 1 294.354 3.316 20 30 CGEDMM CCCCCN(C(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000190866391 375544555 /nfs/dbraw/zinc/54/45/55/375544555.db2.gz LGTQCAPFDRVXEJ-UHFFFAOYSA-N -1 1 274.364 3.305 20 30 CGEDMM [O-]c1ccc(C=NNc2ccc(F)cn2)cc1Cl ZINC000731318101 572406585 /nfs/dbraw/zinc/40/65/85/572406585.db2.gz IOIFXHZYJZGUNQ-UHFFFAOYSA-N -1 1 265.675 3.026 20 30 CGEDMM N#Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC000346845241 218034231 /nfs/dbraw/zinc/03/42/31/218034231.db2.gz MITVIHNZKQFYOB-UHFFFAOYSA-N -1 1 290.681 3.309 20 30 CGEDMM C=C[C@@](C)(CCOC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289085433 392413316 /nfs/dbraw/zinc/41/33/16/392413316.db2.gz NLDRIZIWSIFMEY-HNNXBMFYSA-N -1 1 292.310 3.062 20 30 CGEDMM C=C[C@](C)(CCOC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289085437 392413334 /nfs/dbraw/zinc/41/33/34/392413334.db2.gz NLDRIZIWSIFMEY-OAHLLOKOSA-N -1 1 292.310 3.062 20 30 CGEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(C(C)(C)C)n1 ZINC000187227561 262128542 /nfs/dbraw/zinc/12/85/42/262128542.db2.gz UVPDIDLEMRUAOS-WQLSENKSSA-N -1 1 296.370 3.246 20 30 CGEDMM C[C@H](C[C@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000331228487 264151276 /nfs/dbraw/zinc/15/12/76/264151276.db2.gz FHNLHUPBLPNMDC-MWLCHTKSSA-N -1 1 283.755 3.308 20 30 CGEDMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000248917650 287792395 /nfs/dbraw/zinc/79/23/95/287792395.db2.gz KCWZGENOVLXPQP-TYNCELHUSA-N -1 1 284.359 3.057 20 30 CGEDMM CC[C@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188489265 281040011 /nfs/dbraw/zinc/04/00/11/281040011.db2.gz XJEISTXIUHNBBK-AWEZNQCLSA-N -1 1 272.348 3.059 20 30 CGEDMM N#CCC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000093097643 326930764 /nfs/dbraw/zinc/93/07/64/326930764.db2.gz BGASVCCSKOXIDG-OAHLLOKOSA-N -1 1 298.317 3.306 20 30 CGEDMM C=CCCCCCSc1nc(C(=O)OC)c[n-]1 ZINC000193539753 329058846 /nfs/dbraw/zinc/05/88/46/329058846.db2.gz SWJOWUZTKKDLQO-UHFFFAOYSA-N -1 1 254.355 3.035 20 30 CGEDMM C=CCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000310244535 333056006 /nfs/dbraw/zinc/05/60/06/333056006.db2.gz CGDGVUPOHZRPQE-UHFFFAOYSA-N -1 1 298.180 3.241 20 30 CGEDMM [O-]c1ccc(C=NNCc2ccc(F)cc2F)cc1Cl ZINC000727060368 571710202 /nfs/dbraw/zinc/71/02/02/571710202.db2.gz MQWYRIJMQDGVMO-UHFFFAOYSA-N -1 1 296.704 3.448 20 30 CGEDMM CC(=NOCc1ccccc1)c1ccc(F)cc1[O-] ZINC000727776741 571768362 /nfs/dbraw/zinc/76/83/62/571768362.db2.gz DRBOOKOQXVGNPV-UHFFFAOYSA-N -1 1 259.280 3.472 20 30 CGEDMM Cc1cc(C(=O)/C=C/c2cccc(C#N)c2)ccc1[O-] ZINC000728231719 571797322 /nfs/dbraw/zinc/79/73/22/571797322.db2.gz NYSPDRZAFYLJDB-FNORWQNLSA-N -1 1 263.296 3.468 20 30 CGEDMM O=C(/C=C\c1ccnn1C1CCC1)c1cccc([O-])c1F ZINC000899389960 620685641 /nfs/dbraw/zinc/68/56/41/620685641.db2.gz RMOWSGJNZXWAFE-FPLPWBNLSA-N -1 1 286.306 3.349 20 30 CGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826297516 608091940 /nfs/dbraw/zinc/09/19/40/608091940.db2.gz KIUHSZHYPYEXQP-WAYWQWQTSA-N -1 1 296.355 3.133 20 30 CGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826297516 608091941 /nfs/dbraw/zinc/09/19/41/608091941.db2.gz KIUHSZHYPYEXQP-WAYWQWQTSA-N -1 1 296.355 3.133 20 30 CGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826297515 608091946 /nfs/dbraw/zinc/09/19/46/608091946.db2.gz KIUHSZHYPYEXQP-AATRIKPKSA-N -1 1 296.355 3.133 20 30 CGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826297515 608091947 /nfs/dbraw/zinc/09/19/47/608091947.db2.gz KIUHSZHYPYEXQP-AATRIKPKSA-N -1 1 296.355 3.133 20 30 CGEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000890653467 617732884 /nfs/dbraw/zinc/73/28/84/617732884.db2.gz KYPWJJOUMUWMIQ-LLVKDONJSA-N -1 1 297.276 3.039 20 30 CGEDMM C=C(C)C(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760868 617816863 /nfs/dbraw/zinc/81/68/63/617816863.db2.gz CGFSMEFSGVTKNM-UHFFFAOYSA-N -1 1 267.756 3.264 20 30 CGEDMM C=C[C@@H](C)ON=C(C)c1ccc(Br)cc1[O-] ZINC000844621278 617957703 /nfs/dbraw/zinc/95/77/03/617957703.db2.gz FSYPXNQANRSNAW-MRVPVSSYSA-N -1 1 284.153 3.470 20 30 CGEDMM O=C(/C=C\c1ccc(F)cc1F)c1cc(O)ccc1[O-] ZINC000255158413 618006409 /nfs/dbraw/zinc/00/64/09/618006409.db2.gz XNRLYMCUTRANOV-DJWKRKHSSA-N -1 1 276.238 3.272 20 30 CGEDMM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([O-])c(Cl)c1 ZINC000901305317 620852312 /nfs/dbraw/zinc/85/23/12/620852312.db2.gz CBFLXVUQFUGSKL-DDFAGTSDSA-N -1 1 296.798 3.315 20 30 CGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cncn1C(C)C)O2 ZINC000901460539 620894629 /nfs/dbraw/zinc/89/46/29/620894629.db2.gz UUDBSAHBTKXHHC-RZNTYIFUSA-N -1 1 284.315 3.094 20 30 CGEDMM CC[C@H]1CC[C@H](C(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904188956 621886977 /nfs/dbraw/zinc/88/69/77/621886977.db2.gz UIJXEOTWJJUUIS-WCQYABFASA-N -1 1 283.755 3.015 20 30 CGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccs1)O2 ZINC000045008162 622836045 /nfs/dbraw/zinc/83/60/45/622836045.db2.gz NUNSVCCALSYRDO-KPKJPENVSA-N -1 1 258.298 3.378 20 30 CGEDMM C=CCC(F)(F)C(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000839293235 626335765 /nfs/dbraw/zinc/33/57/65/626335765.db2.gz HMTGOZGVAHGSJY-VIFPVBQESA-N -1 1 271.229 3.045 20 30 CGEDMM Cc1cccc2c1OC/C(=C\c1ccc([O-])c(F)c1)C2=O ZINC000755589320 626629829 /nfs/dbraw/zinc/62/98/29/626629829.db2.gz QPTJBGKPVZCSBN-KPKJPENVSA-N -1 1 284.286 3.498 20 30 CGEDMM Cc1cccc(C)c1CN=Nc1ccccc1C(=O)[O-] ZINC000755602275 626631038 /nfs/dbraw/zinc/63/10/38/626631038.db2.gz VGRVWAMOSOOQJB-UHFFFAOYSA-N -1 1 268.316 3.448 20 30 CGEDMM N#Cc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1F ZINC000756265359 626687680 /nfs/dbraw/zinc/68/76/80/626687680.db2.gz HNEBZVJPPMLMLP-KRXBUXKQSA-N -1 1 267.259 3.299 20 30 CGEDMM COc1c(O)cccc1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000757468334 626780941 /nfs/dbraw/zinc/78/09/41/626780941.db2.gz QILFUVRVZHXKSP-VQHVLOKHSA-N -1 1 284.311 3.311 20 30 CGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccccc2F)c1 ZINC000757473801 626781679 /nfs/dbraw/zinc/78/16/79/626781679.db2.gz PQNZTSVZQLVELQ-FNORWQNLSA-N -1 1 286.258 3.126 20 30 CGEDMM CCc1cnccc1C(C)N=Nc1ccccc1C(=O)[O-] ZINC000765570083 627259644 /nfs/dbraw/zinc/25/96/44/627259644.db2.gz QDNATGBYEGITLB-UHFFFAOYSA-N -1 1 283.331 3.178 20 30 CGEDMM CC(=NOCc1cccnc1)c1ccc([O-])c(Cl)c1 ZINC000768784145 627498817 /nfs/dbraw/zinc/49/88/17/627498817.db2.gz MDLQZASHBOZXEO-UHFFFAOYSA-N -1 1 276.723 3.381 20 30 CGEDMM Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c(O)c1 ZINC000774136708 627949644 /nfs/dbraw/zinc/94/96/44/627949644.db2.gz RWIKAIPBZFKMSU-VURMDHGXSA-N -1 1 282.295 3.295 20 30 CGEDMM COc1ccsc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780187632 628460002 /nfs/dbraw/zinc/46/00/02/628460002.db2.gz HEZXCYYVGAWOQS-NTMALXAHSA-N -1 1 272.325 3.285 20 30 CGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccnc(Cl)c1 ZINC000782194384 628623625 /nfs/dbraw/zinc/62/36/25/628623625.db2.gz NUGLUBLHNMFWEB-IWQZZHSRSA-N -1 1 277.682 3.476 20 30 CGEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccnc(F)c1 ZINC000794720321 629571643 /nfs/dbraw/zinc/57/16/43/629571643.db2.gz PZDPTVUGZJBLTE-IWQZZHSRSA-N -1 1 277.682 3.476 20 30 CGEDMM O=C(/C=C/c1ccnn1CC1CCC1)c1ccc([O-])cc1 ZINC000865212624 630025356 /nfs/dbraw/zinc/02/53/56/630025356.db2.gz NGWCPUVYQRUQEW-RMKNXTFCSA-N -1 1 282.343 3.285 20 30 CGEDMM Cc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000809622360 630765462 /nfs/dbraw/zinc/76/54/62/630765462.db2.gz FCFFALWKBQGNSE-JTQLQIEISA-N -1 1 286.356 3.125 20 30 CGEDMM CCCCCCCCNC(=O)c1cc([O-])cc(C#N)c1 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CGEDMM Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000338172055 376273680 /nfs/dbraw/zinc/27/36/80/376273680.db2.gz DSRSUYPMGSCROM-UHFFFAOYSA-N -1 1 286.718 3.478 20 30 CGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000225226619 376298667 /nfs/dbraw/zinc/29/86/67/376298667.db2.gz DEPCOFSUXBOHDS-UHFFFAOYSA-N -1 1 298.776 3.074 20 30 CGEDMM C=CCCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000545321085 376812432 /nfs/dbraw/zinc/81/24/32/376812432.db2.gz ZAMJHRPUHLXMNP-UHFFFAOYSA-N -1 1 279.361 3.067 20 30 CGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ncccc1O ZINC000566882427 377502486 /nfs/dbraw/zinc/50/24/86/377502486.db2.gz QKWDTBPAIGHVRC-WBVHZDCISA-N -1 1 293.370 3.059 20 30 CGEDMM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000350580124 379566683 /nfs/dbraw/zinc/56/66/83/379566683.db2.gz PHNZBGWLGWUFLW-UHFFFAOYSA-N -1 1 287.662 3.227 20 30 CGEDMM C=CCCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000279122024 194294129 /nfs/dbraw/zinc/29/41/29/194294129.db2.gz AHOODSWPYBWXMO-UHFFFAOYSA-N -1 1 283.755 3.140 20 30 CGEDMM C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2sccc2[n-]1 ZINC000662086527 419334255 /nfs/dbraw/zinc/33/42/55/419334255.db2.gz UUTDVBCSJKKYEQ-PHIMTYICSA-N -1 1 287.388 3.080 20 30 CGEDMM CC1(C)C[C@@]1(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000291397074 263122046 /nfs/dbraw/zinc/12/20/46/263122046.db2.gz HFBYVMSIPYYIBP-ZDUSSCGKSA-N -1 1 298.720 3.240 20 30 CGEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000537181771 330411842 /nfs/dbraw/zinc/41/18/42/330411842.db2.gz MCOQLINXCXALKW-LBPRGKRZSA-N -1 1 293.388 3.456 20 30 CGEDMM C=C[C@@](C)(CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456790055 331204121 /nfs/dbraw/zinc/20/41/21/331204121.db2.gz VICKRAFQNSLTEN-ZDUSSCGKSA-N -1 1 255.264 3.211 20 30 CGEDMM CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(F)cc1[O-] ZINC000727776945 571768419 /nfs/dbraw/zinc/76/84/19/571768419.db2.gz JPQHQUOJDNGEED-UHFFFAOYSA-N -1 1 284.294 3.244 20 30 CGEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(O)c(C)c1 ZINC000728226801 571796468 /nfs/dbraw/zinc/79/64/68/571796468.db2.gz 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CGEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1c([O-])cccc1F ZINC000780980333 628527694 /nfs/dbraw/zinc/52/76/94/628527694.db2.gz PGUUDLYLLLGPKL-ZDUSSCGKSA-N -1 1 296.342 3.441 20 30 CGEDMM [O-]c1ccc(C=NNc2ccnc(F)c2)cc1Cl ZINC000781126552 628538959 /nfs/dbraw/zinc/53/89/59/628538959.db2.gz COHUQTYZVORQOB-UHFFFAOYSA-N -1 1 265.675 3.026 20 30 CGEDMM Cc1nc(F)ccc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000782300521 628635726 /nfs/dbraw/zinc/63/57/26/628635726.db2.gz GIHRUSYRTOPEOC-YWEYNIOJSA-N -1 1 257.264 3.131 20 30 CGEDMM [O-]c1ccc(Cl)c(F)c1C=NOCc1cccnc1 ZINC000790171955 629188697 /nfs/dbraw/zinc/18/86/97/629188697.db2.gz KAIOLQZPQDOLMW-UHFFFAOYSA-N -1 1 280.686 3.130 20 30 CGEDMM C#CCCCCCSc1nc(CC)c(C)c(=O)[n-]1 ZINC000865369736 630079538 /nfs/dbraw/zinc/07/95/38/630079538.db2.gz AGQJYZQEKQDSEN-UHFFFAOYSA-N -1 1 264.394 3.339 20 30 CGEDMM COC(=O)c1cc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])c[nH]1 ZINC000799895714 630240607 /nfs/dbraw/zinc/24/06/07/630240607.db2.gz RRJHAMAJRWRBNL-SNAWJCMRSA-N -1 1 299.326 3.020 20 30 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799707323 /nfs/dbraw/zinc/70/73/23/799707323.db2.gz IRQBFGUXYWUZTO-NVNXTCNLSA-N -1 1 280.323 3.361 20 30 CGEDMM CCOc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])cc1F ZINC001243772893 802992769 /nfs/dbraw/zinc/99/27/69/802992769.db2.gz SVVAJIMTVWITPR-CYVLTUHYSA-N -1 1 286.306 3.411 20 30 CGEDMM COc1ncc(-c2cc(C)c([O-])c(Cl)c2)cc1C#N ZINC001244537014 803424013 /nfs/dbraw/zinc/42/40/13/803424013.db2.gz FEZNFSOLTOKJRM-UHFFFAOYSA-N -1 1 274.707 3.296 20 30 CGEDMM N#CCc1ncccc1-c1c(Cl)ccc([O-])c1F ZINC001244543616 803430954 /nfs/dbraw/zinc/43/09/54/803430954.db2.gz XYNBYFCGDZAHAV-UHFFFAOYSA-N -1 1 262.671 3.313 20 30 CGEDMM COc1ccc(-c2ccccc2C=N[O-])cc1C#N ZINC001244711163 803509698 /nfs/dbraw/zinc/50/96/98/803509698.db2.gz VTMUEWJYMMXIHJ-UHFFFAOYSA-N -1 1 252.273 3.042 20 30 CGEDMM CCCOc1ccc(-c2ccccc2C=N[O-])cn1 ZINC001245235207 803672757 /nfs/dbraw/zinc/67/27/57/803672757.db2.gz YQGQDZZVWORHRT-UHFFFAOYSA-N -1 1 256.305 3.346 20 30 CGEDMM [O-]N=Cc1ccccc1-c1cncc(OCC2CC2)c1 ZINC001245246303 803678870 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816351454 /nfs/dbraw/zinc/35/14/54/816351454.db2.gz VLKCPTDGLRXIKH-RQZCQDPDSA-N -1 1 274.295 3.403 20 30 CGEDMM [O-]/N=C(\OC1CCCCC1)c1cc(F)ccc1F ZINC001223888551 816697893 /nfs/dbraw/zinc/69/78/93/816697893.db2.gz MIYCUHAZMKGAPM-SSZFMOIBSA-N -1 1 255.264 3.450 20 30 CGEDMM [O-]/N=C/c1ccc(F)c(-c2cnccc2Br)c1 ZINC001243059029 823231166 /nfs/dbraw/zinc/23/11/66/823231166.db2.gz QUWXKROQONVTFH-OMCISZLKSA-N -1 1 295.111 3.458 20 30 CGEDMM N#Cc1cccnc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001225406288 817041333 /nfs/dbraw/zinc/04/13/33/817041333.db2.gz SIAPZSZUHRRMMB-HNNXBMFYSA-N -1 1 294.266 3.142 20 30 CGEDMM C#C[C@H](C)Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225811380 817185994 /nfs/dbraw/zinc/18/59/94/817185994.db2.gz WBNBKXCTVXLEHZ-LBPRGKRZSA-N -1 1 266.296 3.024 20 30 CGEDMM CC1(C)CC(Oc2cccc(/C=N/[O-])c2)CC(C)(C)N1O ZINC001226114088 817275625 /nfs/dbraw/zinc/27/56/25/817275625.db2.gz FEZGVGGZCXSUFY-GZTJUZNOSA-N -1 1 292.379 3.284 20 30 CGEDMM C=C[C@H](CCCCCCC)Oc1cnc[n-]c1=O ZINC001227051176 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CGEDMM Cc1nc(-c2ccncc2)cc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242563572 823033521 /nfs/dbraw/zinc/03/35/21/823033521.db2.gz SQMWDQPPUXYYCF-UHFFFAOYSA-N -1 1 288.310 3.091 20 30 CGEDMM Cc1cc(-c2ccc([O-])c(C#N)c2)nc(C(C)C)n1 ZINC001242563663 823034460 /nfs/dbraw/zinc/03/44/60/823034460.db2.gz KAAKDPOJXOFIGO-UHFFFAOYSA-N -1 1 253.305 3.153 20 30 CGEDMM Cc1noc(-c2ccc(-c3ccc([O-])c(C#N)c3)cc2F)n1 ZINC001242565183 823035099 /nfs/dbraw/zinc/03/50/99/823035099.db2.gz PMHFNNLVNPUUDP-UHFFFAOYSA-N -1 1 295.273 3.428 20 30 CGEDMM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001338309434 936316090 /nfs/dbraw/zinc/31/60/90/936316090.db2.gz WECKCAUNUXOZAG-NSHDSACASA-N -1 1 286.709 3.240 20 30 CGEDMM CCn1ccnc1C(C#N)=C([O-])c1occc1C(C)C ZINC001344864936 936547279 /nfs/dbraw/zinc/54/72/79/936547279.db2.gz WHKJCVJJRBGXGU-GFCCVEGCSA-N -1 1 271.320 3.109 20 30 CGEDMM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cc(F)ccc1[O-] ZINC001447291162 937367803 /nfs/dbraw/zinc/36/78/03/937367803.db2.gz ZCFQDPFLEJYUIG-UHFFFAOYSA-N -1 1 295.273 3.137 20 30 CGEDMM CCCCN([O-])C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001458023070 937449574 /nfs/dbraw/zinc/44/95/74/937449574.db2.gz LEDGCPPRDWNLDA-UHFFFAOYSA-N -1 1 277.698 3.450 20 30 CGEDMM N#Cc1c[nH]c2c1cccc2C(=O)Nc1ccc(F)c([O-])c1 ZINC001157167978 931979169 /nfs/dbraw/zinc/97/91/69/931979169.db2.gz NZQRHYCFZACIQJ-UHFFFAOYSA-N -1 1 295.273 3.137 20 30 CGEDMM N#Cc1cccc(Nc2cc(Cl)ncc2[O-])c1F ZINC001216414554 932019512 /nfs/dbraw/zinc/01/95/12/932019512.db2.gz VJEYZQUQIYBUIO-UHFFFAOYSA-N -1 1 263.659 3.195 20 30 CGEDMM C=C[C@H](CCC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214482 932116977 /nfs/dbraw/zinc/11/69/77/932116977.db2.gz DAMDECSLACNKCN-LLVKDONJSA-N -1 1 290.315 3.241 20 30 CGEDMM C=CCC[C@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229399204 932145326 /nfs/dbraw/zinc/14/53/26/932145326.db2.gz HUUPPYHZQVJPRL-NSHDSACASA-N -1 1 251.282 3.424 20 30 CGEDMM C/C(=N\[O-])c1ccccc1O[C@@H](C)c1ccncc1 ZINC001229736719 932476509 /nfs/dbraw/zinc/47/65/09/932476509.db2.gz IMGLLJNRHKQFIQ-OOIIIRTPSA-N -1 1 256.305 3.420 20 30 CGEDMM C/C(=N\[O-])c1ccccc1OC[C@H]1COc2ccccc2O1 ZINC001229736918 932477702 /nfs/dbraw/zinc/47/77/02/932477702.db2.gz LLZGDKLJMPORCG-HTMJNSLASA-N -1 1 299.326 3.104 20 30 CGEDMM C=C[C@@H](CCCCCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282623 932550750 /nfs/dbraw/zinc/55/07/50/932550750.db2.gz XBRJZASQSKSUTH-NSHDSACASA-N -1 1 266.341 3.100 20 30 CGEDMM COC(=O)c1nc2cc(-c3cc(F)cc(C#N)c3)ccc2[n-]1 ZINC001241657872 932699955 /nfs/dbraw/zinc/69/99/55/932699955.db2.gz LYGPUNZSWHRSHW-UHFFFAOYSA-N -1 1 295.273 3.027 20 30 CGEDMM COC(=O)c1nc2ccc(-c3cc(F)cc(C#N)c3)cc2[n-]1 ZINC001241657872 932699959 /nfs/dbraw/zinc/69/99/59/932699959.db2.gz LYGPUNZSWHRSHW-UHFFFAOYSA-N -1 1 295.273 3.027 20 30 CGEDMM N#Cc1cc(-c2ccc(OC(F)(F)F)nc2)ccc1[O-] ZINC001242565952 932702612 /nfs/dbraw/zinc/70/26/12/932702612.db2.gz XZIHGDCBRPGMEG-UHFFFAOYSA-N -1 1 280.205 3.224 20 30 CGEDMM C=CCC[C@@H]1CCCN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001304460966 932849829 /nfs/dbraw/zinc/84/98/29/932849829.db2.gz YKUYKQNOSCZRHD-CQSZACIVSA-N -1 1 287.359 3.084 20 30 CGEDMM CSc1ccc([O-])c(C(=O)Nc2cccc(C#N)c2)c1 ZINC001463578396 937676859 /nfs/dbraw/zinc/67/68/59/937676859.db2.gz UARHNOSYKWVQNR-UHFFFAOYSA-N -1 1 284.340 3.238 20 30 CGEDMM C=CCN(CC=C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001538656198 938119874 /nfs/dbraw/zinc/11/98/74/938119874.db2.gz KDQGWEHKWZNJNY-UHFFFAOYSA-N -1 1 283.327 3.065 20 30 CGEDMM CC[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC001540242084 938129071 /nfs/dbraw/zinc/12/90/71/938129071.db2.gz NCBMWVVIHAYDEZ-SCSAIBSYSA-N -1 1 287.150 3.031 20 30 CGEDMM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001556842516 938206101 /nfs/dbraw/zinc/20/61/01/938206101.db2.gz JUCAPTQVHDDVLF-OAHLLOKOSA-N -1 1 298.317 3.088 20 30 CGEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC001557129841 938208022 /nfs/dbraw/zinc/20/80/22/938208022.db2.gz MESBGXBINHVNIY-LLVKDONJSA-N -1 1 298.317 3.236 20 30 CGEDMM C=CCCCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC001588596023 963284639 /nfs/dbraw/zinc/28/46/39/963284639.db2.gz FICVDWDKUIIDNX-UHFFFAOYSA-N -1 1 276.315 3.131 20 30 CGEDMM C=CCCCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC001588596023 963284652 /nfs/dbraw/zinc/28/46/52/963284652.db2.gz FICVDWDKUIIDNX-UHFFFAOYSA-N -1 1 276.315 3.131 20 30 CGEDMM CCc1cc(=O)[n-]c(SCc2cccc(C#N)c2F)n1 ZINC000436206118 529567003 /nfs/dbraw/zinc/56/70/03/529567003.db2.gz FXYIYQISJGUAIJ-UHFFFAOYSA-N -1 1 289.335 3.048 20 30 CGEDMM CCc1ccc(C(=O)Nc2cccc(C#N)c2)c([O-])c1 ZINC000436801865 529610760 /nfs/dbraw/zinc/61/07/60/529610760.db2.gz FYKSJAYQLHOOPW-UHFFFAOYSA-N -1 1 266.300 3.079 20 30 CGEDMM N#CC1(NC(=O)c2ccc(Cl)cc2[O-])CCCCC1 ZINC000040217111 344960496 /nfs/dbraw/zinc/96/04/96/344960496.db2.gz WVSWFYMLFMQDRN-UHFFFAOYSA-N -1 1 278.739 3.002 20 30 CGEDMM CC(C)c1csc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589164161 346786160 /nfs/dbraw/zinc/78/61/60/346786160.db2.gz REQGBMBOMMQIJT-UHFFFAOYSA-N -1 1 287.344 3.096 20 30 CGEDMM Cn1ccc2c1cccc2NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589175108 346787029 /nfs/dbraw/zinc/78/70/29/346787029.db2.gz PNTVYPWBMHSHPX-UHFFFAOYSA-N -1 1 291.310 3.008 20 30 CGEDMM CCCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCC1 ZINC000589189234 346788375 /nfs/dbraw/zinc/78/83/75/346788375.db2.gz PQTNBJLPIXEFCL-MRXNPFEDSA-N -1 1 286.375 3.353 20 30 CGEDMM CC(C)c1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589209513 346790755 /nfs/dbraw/zinc/79/07/55/346790755.db2.gz GYKGDKLHTBYTMY-UHFFFAOYSA-N -1 1 294.354 3.317 20 30 CGEDMM C=CCCC[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596186715 347395933 /nfs/dbraw/zinc/39/59/33/347395933.db2.gz VHXBXSSURNMNQP-QMMMGPOBSA-N -1 1 255.774 3.247 20 30 CGEDMM CS[C@H](CN=c1[n-]c(C#N)c(Cl)s1)C(C)(C)C ZINC000596191077 347396419 /nfs/dbraw/zinc/39/64/19/347396419.db2.gz HDRGNPGSLOYGFE-MRVPVSSYSA-N -1 1 289.857 3.280 20 30 CGEDMM CCc1cc(=O)[n-]c(S[C@@H](C#N)CCc2ccccc2)n1 ZINC000601080566 347865128 /nfs/dbraw/zinc/86/51/28/347865128.db2.gz DYNMAZKSBAXENW-CQSZACIVSA-N -1 1 299.399 3.362 20 30 CGEDMM CCCc1[n-]n(-c2cccc(C#N)c2)c(=O)c1CC ZINC000601932382 347925116 /nfs/dbraw/zinc/92/51/16/347925116.db2.gz SWFOBQSZNNQFPB-CYBMUJFWSA-N -1 1 255.321 3.087 20 30 CGEDMM C[C@H](c1cccs1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614296707 348665626 /nfs/dbraw/zinc/66/56/26/348665626.db2.gz NUDIGOKEOYMQCV-SNVBAGLBSA-N -1 1 286.356 3.159 20 30 CGEDMM N#CC1(NC(=O)c2cc3ccccc3cc2[O-])CCCC1 ZINC000121781380 370894872 /nfs/dbraw/zinc/89/48/72/370894872.db2.gz SEFDHTKKGITOHJ-UHFFFAOYSA-N -1 1 280.327 3.112 20 30 CGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000010514744 368583946 /nfs/dbraw/zinc/58/39/46/368583946.db2.gz PORCBCAHLUUKTN-UHFFFAOYSA-N -1 1 292.747 3.012 20 30 CGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCc2ccccc21 ZINC000188250926 375185432 /nfs/dbraw/zinc/18/54/32/375185432.db2.gz FBSDEFGZLUBFJR-MRXNPFEDSA-N -1 1 292.338 3.023 20 30 CGEDMM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188450514 375216016 /nfs/dbraw/zinc/21/60/16/375216016.db2.gz VKCHFQFUFMRNCZ-LLVKDONJSA-N -1 1 274.364 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296.278 3.046 20 30 CGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3ccccc3)o2)n1 ZINC000917528324 624282513 /nfs/dbraw/zinc/28/25/13/624282513.db2.gz AEUWQNMLNHNKLJ-UHFFFAOYSA-N -1 1 294.314 3.197 20 30 CGEDMM C[C@@H](NN=Cc1cccc(F)c1[O-])c1ccccc1 ZINC000755664432 626635362 /nfs/dbraw/zinc/63/53/62/626635362.db2.gz LCDHVEXHZFJLAV-LLVKDONJSA-N -1 1 258.296 3.216 20 30 CGEDMM COc1cc(F)cc(NN=Cc2cccc(F)c2[O-])c1 ZINC000755769974 626644354 /nfs/dbraw/zinc/64/43/54/626644354.db2.gz RSGWARIVOYOPSZ-UHFFFAOYSA-N -1 1 278.258 3.125 20 30 CGEDMM CC(=NNc1cc(C)ccn1)c1ccc(O)c(F)c1 ZINC000755899310 626657734 /nfs/dbraw/zinc/65/77/34/626657734.db2.gz AQEYISDWVOSBOB-UHFFFAOYSA-N -1 1 259.284 3.071 20 30 CGEDMM Cc1ccccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757475153 626782433 /nfs/dbraw/zinc/78/24/33/626782433.db2.gz YLDHNGASXJUMOQ-VURMDHGXSA-N -1 1 282.295 3.295 20 30 CGEDMM Cc1cc(N=NCc2cc(Cl)c([O-])cc2Cl)ncn1 ZINC000758109275 626827639 /nfs/dbraw/zinc/82/76/39/626827639.db2.gz HOJJKQQPQACKCL-UHFFFAOYSA-N -1 1 297.145 3.243 20 30 CGEDMM COc1ccsc1/C=C1/Oc2cc([O-])cc(C)c2C1=O ZINC000764432732 627207485 /nfs/dbraw/zinc/20/74/85/627207485.db2.gz MIVNVMYWPJZCMO-KPKJPENVSA-N -1 1 288.324 3.387 20 30 CGEDMM Cc1cc(=O)[n-]c(NN=C2C[C@H](C)c3c2cccc3C)n1 ZINC000766679862 627352584 /nfs/dbraw/zinc/35/25/84/627352584.db2.gz ZNOGWOVBFNZEBR-JTQLQIEISA-N -1 1 282.347 3.122 20 30 CGEDMM CC1(C#N)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000780782454 628517136 /nfs/dbraw/zinc/51/71/36/628517136.db2.gz RAFSDWIDRWZGLF-UHFFFAOYSA-N -1 1 282.746 3.310 20 30 CGEDMM CC[C@@H](C#N)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000781177070 628544228 /nfs/dbraw/zinc/54/42/28/628544228.db2.gz MDNVXGUYJVDWPN-LURJTMIESA-N -1 1 274.103 3.158 20 30 CGEDMM CC[C@H](C#N)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000781177071 628544370 /nfs/dbraw/zinc/54/43/70/628544370.db2.gz MDNVXGUYJVDWPN-ZCFIWIBFSA-N -1 1 274.103 3.158 20 30 CGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccnc(Cl)c1 ZINC000782194383 628623611 /nfs/dbraw/zinc/62/36/11/628623611.db2.gz NUGLUBLHNMFWEB-HNQUOIGGSA-N -1 1 277.682 3.476 20 30 CGEDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1cccc(C#N)c1 ZINC000784519454 628818980 /nfs/dbraw/zinc/81/89/80/628818980.db2.gz UYDOZGFCCZSTTB-SNVBAGLBSA-N -1 1 285.274 3.321 20 30 CGEDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1ccc(C#N)cc1 ZINC000784517913 628819192 /nfs/dbraw/zinc/81/91/92/628819192.db2.gz PFMIPGBPMWLBEK-SNVBAGLBSA-N -1 1 285.274 3.321 20 30 CGEDMM C=C[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000787681353 629021945 /nfs/dbraw/zinc/02/19/45/629021945.db2.gz PMTKNJOOVBNNRI-JTQLQIEISA-N -1 1 265.740 3.226 20 30 CGEDMM O=C([O-])c1ccccc1N=NCc1ccc(Cl)cc1 ZINC000812442741 631261920 /nfs/dbraw/zinc/26/19/20/631261920.db2.gz IBYUWTSNJZRQLT-UHFFFAOYSA-N -1 1 274.707 3.484 20 30 CGEDMM CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(Cl)cc1 ZINC000826701058 633427394 /nfs/dbraw/zinc/42/73/94/633427394.db2.gz UDYQZIHBBLDOFL-JTQLQIEISA-N -1 1 272.682 3.066 20 30 CGEDMM CCc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1F ZINC000871956760 633926940 /nfs/dbraw/zinc/92/69/40/633926940.db2.gz BWQHAHABHRRDIS-NSHDSACASA-N -1 1 299.227 3.028 20 30 CGEDMM CC(C)CON=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872360024 634117825 /nfs/dbraw/zinc/11/78/25/634117825.db2.gz XUBDFLMLPRGDPY-UHFFFAOYSA-N -1 1 299.396 3.497 20 30 CGEDMM C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000846554915 636202034 /nfs/dbraw/zinc/20/20/34/636202034.db2.gz LTCKJYQTVIUKEF-NXEZZACHSA-N -1 1 253.729 3.066 20 30 CGEDMM O=C(/C=C/c1cccnc1Cl)c1cc(O)ccc1[O-] ZINC000156659032 639981414 /nfs/dbraw/zinc/98/14/14/639981414.db2.gz OSFDWUDYMZKMGC-HWKANZROSA-N -1 1 275.691 3.042 20 30 CGEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc3ccccc23)n1 ZINC000254759932 640914466 /nfs/dbraw/zinc/91/44/66/640914466.db2.gz OAXWPNMYCBEQSJ-UHFFFAOYSA-N -1 1 278.315 3.090 20 30 CGEDMM CCOc1ccc2nc(-c3ccc(C#N)cc3[O-])n(C)c2c1 ZINC001251336029 805885609 /nfs/dbraw/zinc/88/56/09/805885609.db2.gz YHAHWSXCPYBEBA-UHFFFAOYSA-N -1 1 293.326 3.216 20 30 CGEDMM C=CCN(C(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001160488905 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C=Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259125282 807675423 /nfs/dbraw/zinc/67/54/23/807675423.db2.gz STSAPLASHCEMDU-UHFFFAOYSA-N -1 1 284.340 3.002 20 30 CGEDMM CCCCCCCC[C@@H](CC)[NH2+]CCP(=O)([O-])[O-] ZINC001172504173 808360764 /nfs/dbraw/zinc/36/07/64/808360764.db2.gz VZOMSSRSNUXDRH-CYBMUJFWSA-N -1 1 279.361 3.283 20 30 CGEDMM N#Cc1cc(Nc2cc(F)c([O-])c(F)c2)cs1 ZINC001213377428 815273184 /nfs/dbraw/zinc/27/31/84/815273184.db2.gz OOCCAJXTDYFBRX-UHFFFAOYSA-N -1 1 252.245 3.347 20 30 CGEDMM N#Cc1ccc(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175268165 809333496 /nfs/dbraw/zinc/33/34/96/809333496.db2.gz JAAYULIGHLRLIS-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM CC[C@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001181830619 810075608 /nfs/dbraw/zinc/07/56/08/810075608.db2.gz GJELIHBNGSZFLJ-GFCCVEGCSA-N -1 1 260.337 3.275 20 30 CGEDMM C=CCC1(S(=O)(=O)[N-]c2cccc3cccnc32)CC1 ZINC001190762508 810647249 /nfs/dbraw/zinc/64/72/49/810647249.db2.gz KBXDKBYWOLUQSX-UHFFFAOYSA-N -1 1 288.372 3.085 20 30 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CGEDMM COC(=O)c1ccc([O-])c(Nc2cc(C#N)ccc2C)c1 ZINC001210501823 814492230 /nfs/dbraw/zinc/49/22/30/814492230.db2.gz VXTQLXQHSDAWKF-UHFFFAOYSA-N -1 1 282.299 3.103 20 30 CGEDMM Cc1cc(-c2noc(-c3cccc([O-])c3F)n2)ccc1C#N ZINC001215988710 815653190 /nfs/dbraw/zinc/65/31/90/815653190.db2.gz GTUWUKWNYPOEPC-UHFFFAOYSA-N -1 1 295.273 3.428 20 30 CGEDMM CN(C)Cc1cccc(Nc2scc([O-])c2C#N)c1F ZINC001216227727 815746592 /nfs/dbraw/zinc/74/65/92/815746592.db2.gz HEUDPSBPNXIAPL-UHFFFAOYSA-N -1 1 291.351 3.270 20 30 CGEDMM CCc1cc([N-]c2nonc2C2CC2)ccc1C#N ZINC001216316582 815779350 /nfs/dbraw/zinc/77/93/50/815779350.db2.gz WAGKTZKHNISMTQ-UHFFFAOYSA-N -1 1 254.293 3.125 20 30 CGEDMM CC(=O)c1ccc([O-])cc1O[C@H](C#N)c1cccc(F)c1 ZINC001225618131 817114426 /nfs/dbraw/zinc/11/44/26/817114426.db2.gz CIWUMGNMKFYPCV-MRXNPFEDSA-N -1 1 285.274 3.378 20 30 CGEDMM CC(C)Oc1ccc(COc2cccc(/C=N/[O-])c2)cn1 ZINC001226115175 817276869 /nfs/dbraw/zinc/27/68/69/817276869.db2.gz XLJJKBXTYAPCOE-VCHYOVAHSA-N -1 1 286.331 3.256 20 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C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443291495 393750509 /nfs/dbraw/zinc/75/05/09/393750509.db2.gz FVYSJBOKPSSAJX-RISCZKNCSA-N -1 1 286.375 3.208 20 30 CGEDMM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000452510501 394074553 /nfs/dbraw/zinc/07/45/53/394074553.db2.gz NBCLESAZRCRPSQ-QGZVFWFLSA-N -1 1 286.375 3.305 20 30 CGEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)C1=CCCC1 ZINC000457174161 394325014 /nfs/dbraw/zinc/32/50/14/394325014.db2.gz CPSHHTRRFRCHIC-UHFFFAOYSA-N -1 1 284.359 3.130 20 30 CGEDMM Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000280932293 263065069 /nfs/dbraw/zinc/06/50/69/263065069.db2.gz HJGDFGDOCGRHNR-RMKNXTFCSA-N -1 1 270.332 3.374 20 30 CGEDMM C[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000331228486 264151516 /nfs/dbraw/zinc/15/15/16/264151516.db2.gz FHNLHUPBLPNMDC-KOLCDFICSA-N -1 1 283.755 3.308 20 30 CGEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000188268698 266097012 /nfs/dbraw/zinc/09/70/12/266097012.db2.gz 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280.755 3.105 20 30 CGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cnn(CC(F)F)c2)c1 ZINC000814190738 631543198 /nfs/dbraw/zinc/54/31/98/631543198.db2.gz VPRQKOCJAREBJI-HYXAFXHYSA-N -1 1 292.285 3.058 20 30 CGEDMM CCC(CC)CNN=Cc1cccc([O-])c1Cl ZINC000814906152 631674856 /nfs/dbraw/zinc/67/48/56/631674856.db2.gz ICXKEDVPZXEFJL-UHFFFAOYSA-N -1 1 254.761 3.405 20 30 CGEDMM C=CCC(F)(F)C(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000815711749 631819850 /nfs/dbraw/zinc/81/98/50/631819850.db2.gz YPVBUTKAVMQCEU-SSDOTTSWSA-N -1 1 273.245 3.291 20 30 CGEDMM Cc1nc(C)c(/C=C2\CCc3cc([O-])ccc3C2=O)o1 ZINC000821039127 632716171 /nfs/dbraw/zinc/71/61/71/632716171.db2.gz PKNVJGXJLOTZFA-XYOKQWHBSA-N -1 1 269.300 3.210 20 30 CGEDMM COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1F ZINC000205685563 632899570 /nfs/dbraw/zinc/89/95/70/632899570.db2.gz BQMYITXJYWKEDE-WAPJZHGLSA-N -1 1 272.275 3.436 20 30 CGEDMM COCCc1ccnc(N[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866356700 633098566 /nfs/dbraw/zinc/09/85/66/633098566.db2.gz 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CGEDMM C=C(C)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000165915414 331306510 /nfs/dbraw/zinc/30/65/10/331306510.db2.gz BTYHHXKKBSWSEV-UHFFFAOYSA-N -1 1 255.317 3.194 20 30 CGEDMM N#CC(=C([O-])c1cc(C2CCCCC2)[nH]n1)c1ccccn1 ZINC000136538754 334157183 /nfs/dbraw/zinc/15/71/83/334157183.db2.gz GOTRYJBDMNRJNZ-ZDUSSCGKSA-N -1 1 294.358 3.342 20 30 CGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1nc(Cl)cs1 ZINC000367001205 534848935 /nfs/dbraw/zinc/84/89/35/534848935.db2.gz ONFYWBCESQWWCT-WTKPLQERSA-N -1 1 279.704 3.118 20 30 CGEDMM O=C([O-])c1ccc(CN=Nc2cccc(F)c2F)cc1 ZINC000743443042 572662279 /nfs/dbraw/zinc/66/22/79/572662279.db2.gz OCUDKSVOMDNWDM-UHFFFAOYSA-N -1 1 276.242 3.109 20 30 CGEDMM Cc1cc(=O)[n-]c(N=NC(C)[C@H](C)C2CCCCC2)n1 ZINC000747624643 572937552 /nfs/dbraw/zinc/93/75/52/572937552.db2.gz PLLDZYMHTQPJRK-NSHDSACASA-N -1 1 276.384 3.495 20 30 CGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(Cl)nc1 ZINC000748998684 572987849 /nfs/dbraw/zinc/98/78/49/572987849.db2.gz OAGDLFKEBDMAGB-LFYBBSHMSA-N -1 1 273.675 3.057 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ZINC001186225341 810321468 /nfs/dbraw/zinc/32/14/68/810321468.db2.gz AVLBAGKWOZIOKF-JTQLQIEISA-N -1 1 284.290 3.411 20 30 CGEDMM Cc1ccc(NC(=O)Nc2c([O-])cccc2C#N)cc1F ZINC001187989771 810438534 /nfs/dbraw/zinc/43/85/34/810438534.db2.gz NZIUHBFWSVDVQH-UHFFFAOYSA-N -1 1 285.278 3.355 20 30 CGEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC001187994941 810439785 /nfs/dbraw/zinc/43/97/85/810439785.db2.gz VEZLGJDJSVUZRX-UHFFFAOYSA-N -1 1 295.408 3.055 20 30 CGEDMM CCCCCCCCS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC001188029301 810444921 /nfs/dbraw/zinc/44/49/21/810444921.db2.gz ONPUNVIVEMJAMX-GFCCVEGCSA-N -1 1 297.411 3.454 20 30 CGEDMM CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccn2)c([O-])c1 ZINC001192314767 810786715 /nfs/dbraw/zinc/78/67/15/810786715.db2.gz STAIHDNSBMCRQC-UHFFFAOYSA-N -1 1 295.342 3.209 20 30 CGEDMM N#Cc1c([O-])csc1NC(=O)N[C@@H]1CCc2ccccc21 ZINC001192961833 810836350 /nfs/dbraw/zinc/83/63/50/810836350.db2.gz XSEFPODXXNMTOP-GFCCVEGCSA-N -1 1 299.355 3.134 20 30 CGEDMM N#Cc1cccc([O-])c1NC(=O)N[C@@H]1CCc2ccccc21 ZINC001192993001 810839928 /nfs/dbraw/zinc/83/99/28/810839928.db2.gz DYTUOLWJLJWWET-CQSZACIVSA-N -1 1 293.326 3.073 20 30 CGEDMM Cc1noc(Nc2cc(F)c([O-])c(Cl)c2)c1C#N ZINC001214480659 815415581 /nfs/dbraw/zinc/41/55/81/815415581.db2.gz XIDFPTFWHGFCIA-UHFFFAOYSA-N -1 1 267.647 3.096 20 30 CGEDMM CCC(CC)COC(=O)Nc1c([O-])cccc1C#N ZINC001194708478 811113500 /nfs/dbraw/zinc/11/35/00/811113500.db2.gz AEXPUOYSRDGHOV-UHFFFAOYSA-N -1 1 262.309 3.249 20 30 CGEDMM CCOc1ccccc1NC(=O)Nc1c([O-])cccc1C#N ZINC001202146066 812024962 /nfs/dbraw/zinc/02/49/62/812024962.db2.gz CEZWBXZUSWSFFS-UHFFFAOYSA-N -1 1 297.314 3.307 20 30 CGEDMM COc1ccc(C)cc1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001202868663 812189663 /nfs/dbraw/zinc/18/96/63/812189663.db2.gz DKXVLQXKWXOXMO-UHFFFAOYSA-N -1 1 297.314 3.225 20 30 CGEDMM CC(C)(C)c1noc(Nc2ccc(F)c([O-])c2)c1C#N ZINC001211215592 814852507 /nfs/dbraw/zinc/85/25/07/814852507.db2.gz WHNGROPTYWURNZ-UHFFFAOYSA-N -1 1 275.283 3.432 20 30 CGEDMM Cc1cc(Nc2nc3ncccc3cc2C#N)cc([O-])c1F ZINC001216078047 815683672 /nfs/dbraw/zinc/68/36/72/815683672.db2.gz ZLGNYZLLGJPHDE-UHFFFAOYSA-N -1 1 294.289 3.398 20 30 CGEDMM C#C[C@H](CCC)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223592498 816654325 /nfs/dbraw/zinc/65/43/25/816654325.db2.gz AYANZXYMRXVQLZ-GMXMXKFQSA-N -1 1 251.713 3.294 20 30 CGEDMM CCOC(=O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001243040921 823220218 /nfs/dbraw/zinc/22/02/18/823220218.db2.gz KOEWJNZPLRWMQB-VCHYOVAHSA-N -1 1 287.290 3.478 20 30 CGEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CCC=CO1 ZINC001227120648 817565296 /nfs/dbraw/zinc/56/52/96/817565296.db2.gz PYLKGFHKIYNCTQ-ZDUSSCGKSA-N -1 1 288.343 3.395 20 30 CGEDMM COCOc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001243184188 823279044 /nfs/dbraw/zinc/27/90/44/823279044.db2.gz AZVDAQJNSJDFDR-RQZCQDPDSA-N -1 1 275.279 3.284 20 30 CGEDMM Cc1cccc(OC[C@@H](C)Oc2cc([O-])ccc2C#N)c1 ZINC001228006389 817781647 /nfs/dbraw/zinc/78/16/47/817781647.db2.gz ANNBUXBPTKGUMA-CYBMUJFWSA-N -1 1 283.327 3.419 20 30 CGEDMM COc1ccccc1[C@@H](C)Oc1cc([O-])ccc1C#N ZINC001228004766 817781939 /nfs/dbraw/zinc/78/19/39/817781939.db2.gz GEISVVHNLWNJSK-LLVKDONJSA-N -1 1 269.300 3.412 20 30 CGEDMM COc1ccc([C@H](C)Oc2cc([O-])ccc2C#N)cc1OC ZINC001228006818 817782737 /nfs/dbraw/zinc/78/27/37/817782737.db2.gz ISRPLDPUHSVIHM-NSHDSACASA-N -1 1 299.326 3.421 20 30 CGEDMM COc1ccc2c(c1)CC[C@H](Oc1cc([O-])ccc1C#N)C2 ZINC001228007819 817783224 /nfs/dbraw/zinc/78/32/24/817783224.db2.gz TXKYPOHUSXGLBH-KRWDZBQOSA-N -1 1 295.338 3.209 20 30 CGEDMM C=C[C@@H](CCCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231264655 818066910 /nfs/dbraw/zinc/06/69/10/818066910.db2.gz TWMOUUQBMMDVEQ-JTQLQIEISA-N -1 1 266.297 3.127 20 30 CGEDMM C[C@@]1(C#N)CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419775 818615823 /nfs/dbraw/zinc/61/58/23/818615823.db2.gz LYYIRXDFKKXQPV-ZDUSSCGKSA-N -1 1 284.281 3.147 20 30 CGEDMM C#C[C@H](Oc1cc([O-])c(O)cc1C(=O)CCC)C(C)C ZINC001233495792 818627673 /nfs/dbraw/zinc/62/76/73/818627673.db2.gz LYBHLQSKAUKMJA-HNNXBMFYSA-N -1 1 276.332 3.117 20 30 CGEDMM N#CCOc1ccccc1-c1ccc([O-])c(F)c1F ZINC001243342503 823357954 /nfs/dbraw/zinc/35/79/54/823357954.db2.gz HAOMTNKUTYEYQQ-UHFFFAOYSA-N -1 1 261.227 3.240 20 30 CGEDMM COC(=O)c1cc(-c2c(F)ccc(C)c2[O-])ccc1C#N ZINC001236414944 819459759 /nfs/dbraw/zinc/45/97/59/819459759.db2.gz NWRIHEIPBMIAOM-UHFFFAOYSA-N -1 1 285.274 3.165 20 30 CGEDMM CC(C)Oc1cc(-c2ccccc2C=N[O-])ccn1 ZINC001236570570 819539294 /nfs/dbraw/zinc/53/92/94/819539294.db2.gz ORQZXTUQYUEVAY-UHFFFAOYSA-N -1 1 256.305 3.344 20 30 CGEDMM O=c1[nH]c2ccccc2cc1-c1ccccc1C=N[O-] ZINC001238883569 820147321 /nfs/dbraw/zinc/14/73/21/820147321.db2.gz ICJRQNFFKVMCMF-UHFFFAOYSA-N -1 1 264.284 3.416 20 30 CGEDMM CCOC(=O)c1cc(-c2ccc([O-])c(F)c2)ccc1C#N ZINC001240787894 821328210 /nfs/dbraw/zinc/32/82/10/821328210.db2.gz VIAHXRUPGCDGAQ-UHFFFAOYSA-N -1 1 285.274 3.247 20 30 CGEDMM COc1cc(OC)cc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001241132191 821586785 /nfs/dbraw/zinc/58/67/85/821586785.db2.gz MQBKTHNJKNJVPS-RQZCQDPDSA-N -1 1 275.279 3.318 20 30 CGEDMM N#Cc1cc(C(F)(F)F)cnc1-c1cc([O-])cc(F)c1 ZINC001241256197 821676172 /nfs/dbraw/zinc/67/61/72/821676172.db2.gz PNLBLTCZJBXRQL-UHFFFAOYSA-N -1 1 282.196 3.484 20 30 CGEDMM [O-]N=Cc1ccccc1-c1ccnc(Br)c1 ZINC001241712938 822095085 /nfs/dbraw/zinc/09/50/85/822095085.db2.gz RJBZRIWDTVZOML-UHFFFAOYSA-N -1 1 277.121 3.319 20 30 CGEDMM Cc1cccc(-c2ncnc3ccc(C#N)cc32)c1[O-] ZINC001242344002 822957372 /nfs/dbraw/zinc/95/73/72/822957372.db2.gz LXJZCLYQJUXWJM-UHFFFAOYSA-N -1 1 261.284 3.183 20 30 CGEDMM CCOC(=O)Cc1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242563395 823032945 /nfs/dbraw/zinc/03/29/45/823032945.db2.gz GBZRKACSLVWQGC-UHFFFAOYSA-N -1 1 281.311 3.036 20 30 CGEDMM CC(=O)Nc1cc(F)c(-c2ccc([O-])c(C#N)c2)cc1C ZINC001242563241 823032994 /nfs/dbraw/zinc/03/29/94/823032994.db2.gz CGDSMPAGFCYTIS-UHFFFAOYSA-N -1 1 284.290 3.337 20 30 CGEDMM COc1cc(-c2ccc([O-])c(C#N)c2)cc2ncccc21 ZINC001242565385 823035435 /nfs/dbraw/zinc/03/54/35/823035435.db2.gz AESLJLSLTMJALD-UHFFFAOYSA-N -1 1 276.295 3.488 20 30 CGEDMM COC(=O)c1cc(C)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242565486 823035519 /nfs/dbraw/zinc/03/55/19/823035519.db2.gz HBKMQLZPXQHFSB-UHFFFAOYSA-N -1 1 267.284 3.026 20 30 CGEDMM CCOc1cc(F)cc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565773 823036007 /nfs/dbraw/zinc/03/60/07/823036007.db2.gz SCONDAGGADJVQA-UHFFFAOYSA-N -1 1 257.264 3.469 20 30 CGEDMM Cc1noc2cc(-c3ccc([O-])c(C#N)c3)ccc12 ZINC001242565508 823036040 /nfs/dbraw/zinc/03/60/40/823036040.db2.gz HZYPVKCUIQHSHI-UHFFFAOYSA-N -1 1 250.257 3.381 20 30 CGEDMM COC(=O)c1ccc(C)c(-c2ccc([O-])c(C#N)c2)c1C ZINC001242567002 823036481 /nfs/dbraw/zinc/03/64/81/823036481.db2.gz OJZFZHWKWUABOK-UHFFFAOYSA-N -1 1 281.311 3.334 20 30 CGEDMM CCSCc1ccccc1C([O-])=C(C#N)c1nccn1C ZINC001342268859 936464193 /nfs/dbraw/zinc/46/41/93/936464193.db2.gz QSAPJEPZGSAQSZ-CQSZACIVSA-N -1 1 299.399 3.163 20 30 CGEDMM CCc1ccsc1C([O-])=C(C#N)c1nccn1CC ZINC001344321796 936529588 /nfs/dbraw/zinc/52/95/88/936529588.db2.gz BKTBWRFBOZQWJO-NSHDSACASA-N -1 1 273.361 3.017 20 30 CGEDMM CCc1ccc(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001344321976 936529609 /nfs/dbraw/zinc/52/96/09/936529609.db2.gz FPFRZAMKENDMHC-VIFPVBQESA-N -1 1 293.779 3.187 20 30 CGEDMM CC(C)Cc1ccc(C([O-])=C(C#N)c2nccn2C)s1 ZINC001346538074 936851949 /nfs/dbraw/zinc/85/19/49/936851949.db2.gz UQVDXDOYGQUPQP-GFCCVEGCSA-N -1 1 287.388 3.170 20 30 CGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cc(F)ccc1F ZINC000209183406 928884036 /nfs/dbraw/zinc/88/40/36/928884036.db2.gz RQZOYHJXAAMPIP-NSIKDUERSA-N -1 1 274.222 3.287 20 30 CGEDMM C=CC[C@H](CCC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396143 932145372 /nfs/dbraw/zinc/14/53/72/932145372.db2.gz QJLLYYNVPUBLSP-LLVKDONJSA-N -1 1 251.282 3.424 20 30 CGEDMM C[C@H](CS)Oc1cc([O-])c(Cl)cc1Cl ZINC001229406567 932146355 /nfs/dbraw/zinc/14/63/55/932146355.db2.gz ZAOFMGFZXPXBGM-RXMQYKEDSA-N -1 1 253.150 3.396 20 30 CGEDMM C#C[C@H](CC(C)C)Oc1cc([O-])ccc1C(=O)CC ZINC001229479024 932158791 /nfs/dbraw/zinc/15/87/91/932158791.db2.gz XTROZMZFMKNEPT-CYBMUJFWSA-N -1 1 260.333 3.412 20 30 CGEDMM C=CC[C@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1 ZINC001230022182 932524312 /nfs/dbraw/zinc/52/43/12/932524312.db2.gz SFYADVLNAHVDHC-ZDUSSCGKSA-N -1 1 286.331 3.195 20 30 CGEDMM C[C@@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)[C@H](C)S ZINC001231049705 932665854 /nfs/dbraw/zinc/66/58/54/932665854.db2.gz NHLBDCUMRIXOAM-UHNVWZDZSA-N -1 1 292.191 3.350 20 30 CGEDMM C[C@@H](Oc1nc2cc(Cl)nc(Cl)c2[n-]1)[C@H](C)S ZINC001231049705 932665856 /nfs/dbraw/zinc/66/58/56/932665856.db2.gz NHLBDCUMRIXOAM-UHNVWZDZSA-N -1 1 292.191 3.350 20 30 CGEDMM Cc1noc(-c2ccc(-c3ccc([O-])c(C#N)c3)cc2)c1N ZINC001242565962 932703452 /nfs/dbraw/zinc/70/34/52/932703452.db2.gz YGTSFOLWZOOBMX-UHFFFAOYSA-N -1 1 291.310 3.477 20 30 CGEDMM C#CC[C@@H](NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001466163017 937706843 /nfs/dbraw/zinc/70/68/43/937706843.db2.gz IKTXDHOUROAHGN-CQSZACIVSA-N -1 1 283.302 3.026 20 30 CGEDMM C=CC[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC001331951955 935426363 /nfs/dbraw/zinc/42/63/63/935426363.db2.gz UZOJDILIPQIDJW-JQWIXIFHSA-N -1 1 259.305 3.113 20 30 CGEDMM Cc1ccc(C#N)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001556592363 938204719 /nfs/dbraw/zinc/20/47/19/938204719.db2.gz JFOHJLLGNZIZNP-UHFFFAOYSA-N -1 1 288.253 3.103 20 30 CGEDMM Cc1nc(S[C@H](C#N)CCc2ccccc2)[n-]c(=O)c1C ZINC001559393392 938225949 /nfs/dbraw/zinc/22/59/49/938225949.db2.gz QFTXYTGIHZHUDF-AWEZNQCLSA-N -1 1 299.399 3.416 20 30 CGEDMM C#C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC001588378330 963270369 /nfs/dbraw/zinc/27/03/69/963270369.db2.gz XAWVKARVNUESQP-ZDUSSCGKSA-N -1 1 279.767 3.176 20 30 CGEDMM C=C[C@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC001588692595 963298519 /nfs/dbraw/zinc/29/85/19/963298519.db2.gz FPRVVXCVHQOBFH-KBUNVGBDSA-N -1 1 292.137 3.422 20 30 CGEDMM C=CC[C@@H]1N(Cc2ncc(C(=O)[O-])s2)CCCC1(C)C ZINC001588773762 963313844 /nfs/dbraw/zinc/31/38/44/963313844.db2.gz IOCGDOXGPOHNNV-LBPRGKRZSA-N -1 1 294.420 3.408 20 30 CGEDMM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(C#N)o1)c1ccccc1 ZINC001589600928 964009179 /nfs/dbraw/zinc/00/91/79/964009179.db2.gz AMWAYSPGURHFMH-HNNXBMFYSA-N -1 1 298.342 3.093 20 30 CGEDMM CCCC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001595623716 981724008 /nfs/dbraw/zinc/72/40/08/981724008.db2.gz ZJPJNQTVFGNYNQ-UHFFFAOYSA-N -1 1 286.375 3.269 20 30 CGEDMM C=CCC1(NC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000590876211 346882719 /nfs/dbraw/zinc/88/27/19/346882719.db2.gz UURFEVWYNQRTIQ-UHFFFAOYSA-N -1 1 284.359 3.273 20 30 CGEDMM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589181339 346788229 /nfs/dbraw/zinc/78/82/29/346788229.db2.gz OWJGMOVLHCTKNI-JSGCOSHPSA-N -1 1 286.375 3.210 20 30 CGEDMM CCC(CC)(CC)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589190721 346789131 /nfs/dbraw/zinc/78/91/31/346789131.db2.gz LSTKBTHJSBHOET-UHFFFAOYSA-N -1 1 274.364 3.210 20 30 CGEDMM N#Cc1[n-]c(=NC2CCC(C(F)F)CC2)sc1Cl ZINC000596268572 347407688 /nfs/dbraw/zinc/40/76/88/347407688.db2.gz AEZUHKGUBHJBAZ-UHFFFAOYSA-N -1 1 291.754 3.326 20 30 CGEDMM C[C@@H](C#N)N(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000598125926 347629016 /nfs/dbraw/zinc/62/90/16/347629016.db2.gz PYRQPZCKZNTXBR-NSHDSACASA-N -1 1 280.327 3.062 20 30 CGEDMM CCCCc1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[n-]1 ZINC000601949467 347928497 /nfs/dbraw/zinc/92/84/97/347928497.db2.gz PWWISZCTGLTBNH-UHFFFAOYSA-N -1 1 275.739 3.495 20 30 CGEDMM CC(C)c1c(Cc2ccccc2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601935452 347925798 /nfs/dbraw/zinc/92/57/98/347925798.db2.gz JZFOOVAJLPAEAY-BBRMVZONSA-N -1 1 283.375 3.002 20 30 CGEDMM C=CCC(C)(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380906 350685710 /nfs/dbraw/zinc/68/57/10/350685710.db2.gz ZQKGEVKLXLPGRM-UHFFFAOYSA-N -1 1 285.347 3.119 20 30 CGEDMM C=CC1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000631221373 350995159 /nfs/dbraw/zinc/99/51/59/350995159.db2.gz GFNUUBIXZNWAGE-UHFFFAOYSA-N -1 1 279.767 3.013 20 30 CGEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632589637 351206132 /nfs/dbraw/zinc/20/61/32/351206132.db2.gz 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20 30 CGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)CCO3)c1 ZINC000156688503 622834480 /nfs/dbraw/zinc/83/44/80/622834480.db2.gz KVEHFCPJTPFFDN-GORDUTHDSA-N -1 1 296.322 3.232 20 30 CGEDMM Cc1ccc(C=NNc2ccccc2C(=O)[O-])cc1C ZINC000915955071 624079487 /nfs/dbraw/zinc/07/94/87/624079487.db2.gz AAULXSWSDLOHOY-UHFFFAOYSA-N -1 1 268.316 3.448 20 30 CGEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000916241433 624123854 /nfs/dbraw/zinc/12/38/54/624123854.db2.gz AUIWIOSHUIZPPX-UHFFFAOYSA-N -1 1 290.754 3.370 20 30 CGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000187230420 626182232 /nfs/dbraw/zinc/18/22/32/626182232.db2.gz KGRQKIZKHURRNE-KPKJPENVSA-N -1 1 281.267 3.123 20 30 CGEDMM [O-]c1c(F)cccc1C=NNc1ccc(Cl)nc1 ZINC000755754972 626643224 /nfs/dbraw/zinc/64/32/24/626643224.db2.gz VOQFIWTZPKHOGD-UHFFFAOYSA-N -1 1 265.675 3.026 20 30 CGEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1C ZINC000757468203 626780740 /nfs/dbraw/zinc/78/07/40/626780740.db2.gz QIDDMTLRNFXTRD-UTCJRWHESA-N -1 1 284.311 3.311 20 30 CGEDMM Cc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)s1 ZINC000757472400 626781792 /nfs/dbraw/zinc/78/17/92/626781792.db2.gz HBNKPFXZYVFUPQ-FNORWQNLSA-N -1 1 288.324 3.356 20 30 CGEDMM Cc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000757475181 626782254 /nfs/dbraw/zinc/78/22/54/626782254.db2.gz ZSIPIXMOVSVIIQ-FNORWQNLSA-N -1 1 282.295 3.295 20 30 CGEDMM N#CC1([N-]C(=O)C(F)(F)c2ccccc2F)CCCCC1 ZINC000765749018 627268467 /nfs/dbraw/zinc/26/84/67/627268467.db2.gz XIWZFXOVXCFIPE-UHFFFAOYSA-N -1 1 296.292 3.260 20 30 CGEDMM CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000772990953 627838652 /nfs/dbraw/zinc/83/86/52/627838652.db2.gz PTRYZFRBHPTJCZ-UHFFFAOYSA-N -1 1 293.326 3.483 20 30 CGEDMM C[C@@H](C#N)CNN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774584950 628006901 /nfs/dbraw/zinc/00/69/01/628006901.db2.gz FWQWDEZJJOKTSC-JTQLQIEISA-N -1 1 287.750 3.282 20 30 CGEDMM CCOc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1O ZINC000002887448 634646995 /nfs/dbraw/zinc/64/69/95/634646995.db2.gz RRCYLGNDHXOBFX-LZYBPNLTSA-N -1 1 298.294 3.113 20 30 CGEDMM C=CCC[C@H](C(=O)[N-]OCC(C)C)c1ccccc1 ZINC000777816623 628301069 /nfs/dbraw/zinc/30/10/69/628301069.db2.gz WEFHJJBXAKZBRS-HNNXBMFYSA-N -1 1 261.365 3.440 20 30 CGEDMM CC(C)(C)CCNN=Cc1ccc([O-])c(Cl)c1 ZINC000782903250 628666226 /nfs/dbraw/zinc/66/62/26/628666226.db2.gz SNCDDVWNZPFEMF-UHFFFAOYSA-N -1 1 254.761 3.405 20 30 CGEDMM CC(C)CC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785610913 628874466 /nfs/dbraw/zinc/87/44/66/628874466.db2.gz WQRHCBZUSPIZBU-UHFFFAOYSA-N -1 1 286.375 3.162 20 30 CGEDMM Cc1cccc(CNN=Cc2cccc([O-])c2Cl)c1 ZINC000814873383 631661185 /nfs/dbraw/zinc/66/11/85/631661185.db2.gz YSRGHXWRUUSPIN-UHFFFAOYSA-N -1 1 274.751 3.478 20 30 CGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C=C)cc2)c1 ZINC000821140352 632729098 /nfs/dbraw/zinc/72/90/98/632729098.db2.gz UTXVDWCCDWJSOS-UHFFFAOYSA-N -1 1 283.352 3.112 20 30 CGEDMM CCCn1cc(N[C@@H](C)c2cccc(C#N)c2[O-])cn1 ZINC000866322984 633080817 /nfs/dbraw/zinc/08/08/17/633080817.db2.gz 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/nfs/dbraw/zinc/55/58/61/636555861.db2.gz PBPAZPCLBGEJEZ-ZDUSSCGKSA-N -1 1 279.339 3.031 20 30 CGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cc3n(n2)CCCC3)c1 ZINC000848641031 636627495 /nfs/dbraw/zinc/62/74/95/636627495.db2.gz YHUQNLXSJCUOHJ-VURMDHGXSA-N -1 1 282.343 3.130 20 30 CGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(F)c(F)c1 ZINC000028621503 636822257 /nfs/dbraw/zinc/82/22/57/636822257.db2.gz FMBRCJJCDSUEKI-MKMNVTDBSA-N -1 1 274.222 3.287 20 30 CGEDMM COc1cccc(/C=C2\Cc3cc([O-])ccc3C2=O)c1F ZINC000195503146 640587580 /nfs/dbraw/zinc/58/75/80/640587580.db2.gz PQKNUQZHUOFZNF-KPKJPENVSA-N -1 1 284.286 3.362 20 30 CGEDMM N#Cc1ccc(-c2nc3c(cccc3Cl)[nH]2)c([O-])c1 ZINC001251331994 805882654 /nfs/dbraw/zinc/88/26/54/805882654.db2.gz FJPSZCCNLOVRGB-UHFFFAOYSA-N -1 1 269.691 3.461 20 30 CGEDMM C#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)(C)C ZINC001160298280 806252135 /nfs/dbraw/zinc/25/21/35/806252135.db2.gz WVILTCBXZYHEAK-GFCCVEGCSA-N -1 1 299.292 3.189 20 30 CGEDMM COc1cccc(/C=C2/Cc3cc([O-])ccc3C2=O)c1 ZINC000588535246 799708211 /nfs/dbraw/zinc/70/82/11/799708211.db2.gz STTWTCWLTQXLBQ-QPEQYQDCSA-N -1 1 266.296 3.223 20 30 CGEDMM COc1cccc(/C=C2/Cc3cc([O-])ccc3C2=O)c1F ZINC000588619210 799722016 /nfs/dbraw/zinc/72/20/16/799722016.db2.gz PQKNUQZHUOFZNF-GHXNOFRVSA-N -1 1 284.286 3.362 20 30 CGEDMM Cc1nc(-c2c([O-])cccc2Cl)ccc1CC#N ZINC001244035201 803153207 /nfs/dbraw/zinc/15/32/07/803153207.db2.gz BAKVTOUWDANGRB-UHFFFAOYSA-N -1 1 258.708 3.482 20 30 CGEDMM Cc1ccc([O-])c(-c2nc3ncccc3cc2C#N)c1 ZINC001244402938 803351378 /nfs/dbraw/zinc/35/13/78/803351378.db2.gz JTSICPIMQXJSBN-UHFFFAOYSA-N -1 1 261.284 3.183 20 30 CGEDMM Cc1ccc(C#N)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001137701983 803761206 /nfs/dbraw/zinc/76/12/06/803761206.db2.gz ONDXNNCLUUSKHW-UHFFFAOYSA-N -1 1 286.718 3.478 20 30 CGEDMM N#Cc1cccc(-n2[n-]c(CC3CCCC3)cc2=O)c1 ZINC001245932053 804061681 /nfs/dbraw/zinc/06/16/81/804061681.db2.gz MVIBVISGQPWBOY-UHFFFAOYSA-N -1 1 267.332 3.182 20 30 CGEDMM C#CCCc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC001245952106 804085597 /nfs/dbraw/zinc/08/55/97/804085597.db2.gz PAOITNHIKZEZLR-UHFFFAOYSA-N -1 1 296.248 3.042 20 30 CGEDMM C=C(C)CN(CC)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249777824 805241313 /nfs/dbraw/zinc/24/13/13/805241313.db2.gz ZSOZZLOFTXNOTA-UHFFFAOYSA-N -1 1 269.291 3.061 20 30 CGEDMM N#Cc1cc2cccnc2nc1Nc1cccc([O-])c1F ZINC001212546049 815060934 /nfs/dbraw/zinc/06/09/34/815060934.db2.gz BFVVGEFFCJBHOT-UHFFFAOYSA-N -1 1 280.262 3.090 20 30 CGEDMM N#Cc1ccc(NC(=O)c2cc3sccc3[nH]2)c([O-])c1 ZINC001152269094 805342858 /nfs/dbraw/zinc/34/28/58/805342858.db2.gz VAGJHTNTGALUTM-UHFFFAOYSA-N -1 1 283.312 3.059 20 30 CGEDMM N#C[C@H]1CC[C@H](NC(=O)c2c([O-])ccc3ccccc32)CC1 ZINC001153504845 805400000 /nfs/dbraw/zinc/40/00/00/805400000.db2.gz PGBPBMDLMFHWRU-MQMHXKEQSA-N -1 1 294.354 3.358 20 30 CGEDMM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)C1CCCCC1 ZINC001259814673 807689070 /nfs/dbraw/zinc/68/90/70/807689070.db2.gz MMWRCAVIMAFUEJ-UHFFFAOYSA-N -1 1 298.795 3.286 20 30 CGEDMM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1C#N ZINC001175100235 809270710 /nfs/dbraw/zinc/27/07/10/809270710.db2.gz OKLHDAAAIOCAFX-UHFFFAOYSA-N -1 1 276.242 3.294 20 30 CGEDMM N#CC[C@H](CC(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001303332933 809607889 /nfs/dbraw/zinc/60/78/89/809607889.db2.gz BYPIGWNVLNDMLC-CQSZACIVSA-N -1 1 298.317 3.323 20 30 CGEDMM C=CCn1cc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001176546727 809714871 /nfs/dbraw/zinc/71/48/71/809714871.db2.gz ZLSMSLSNLNAEKU-UHFFFAOYSA-N -1 1 267.691 3.311 20 30 CGEDMM C[C@H]1CC[C@H](NC(=O)Nc2scc([O-])c2C#N)CC1 ZINC001191795199 810743452 /nfs/dbraw/zinc/74/34/52/810743452.db2.gz RLCJBXVFIKOYQJ-KYZUINATSA-N -1 1 279.365 3.026 20 30 CGEDMM COc1cccc(NC(=S)Nc2ccc(C#N)cc2[O-])c1 ZINC001196057393 811312457 /nfs/dbraw/zinc/31/24/57/811312457.db2.gz UMWLYSUABCSIDY-UHFFFAOYSA-N -1 1 299.355 3.081 20 30 CGEDMM CCc1cc(C(=O)Nc2ccc(F)c([O-])c2)ccc1C#N ZINC001197291642 811411945 /nfs/dbraw/zinc/41/19/45/811411945.db2.gz CKMORIJZHKVREO-UHFFFAOYSA-N -1 1 284.290 3.218 20 30 CGEDMM N#Cc1ccc(NC(=O)c2cccc(C(F)F)c2)c([O-])c1 ZINC001197815215 811455224 /nfs/dbraw/zinc/45/52/24/811455224.db2.gz LALSURLFGOGQBG-UHFFFAOYSA-N -1 1 288.253 3.454 20 30 CGEDMM N#Cc1cc(NC(=O)Nc2c(F)cccc2F)ccc1[O-] ZINC001202043284 812003535 /nfs/dbraw/zinc/00/35/35/812003535.db2.gz QCWDQWPHSOPJNO-UHFFFAOYSA-N -1 1 289.241 3.186 20 30 CGEDMM CC(=O)c1cccc([O-])c1NC(=O)Nc1cccc(C#N)c1 ZINC001202790920 812175303 /nfs/dbraw/zinc/17/53/03/812175303.db2.gz PWWSJIWOZBCAGP-UHFFFAOYSA-N -1 1 295.298 3.110 20 30 CGEDMM COc1cnc(-c2ccc([O-])cc2C(F)(F)F)c(C#N)c1 ZINC001205066322 812844213 /nfs/dbraw/zinc/84/42/13/812844213.db2.gz LBGFTYHJTPBWHG-UHFFFAOYSA-N -1 1 294.232 3.353 20 30 CGEDMM Cc1noc([N-]c2cc(F)cc(F)c2F)c1C#N ZINC001206375520 813307336 /nfs/dbraw/zinc/30/73/36/813307336.db2.gz HDAYVGWUTKHWRL-UHFFFAOYSA-N -1 1 253.183 3.016 20 30 CGEDMM CC1(C)CC(=O)C=C(Nc2cc([O-])c(F)cc2F)C1 ZINC001210151254 814314301 /nfs/dbraw/zinc/31/43/01/814314301.db2.gz BAWOKAUOWQFGOA-UHFFFAOYSA-N -1 1 267.275 3.355 20 30 CGEDMM Cc1cc([N-]c2nnc(C(C)(C)C)s2)cnc1C#N ZINC001210200909 814335739 /nfs/dbraw/zinc/33/57/39/814335739.db2.gz FALHAJRXJKZYEY-UHFFFAOYSA-N -1 1 273.365 3.154 20 30 CGEDMM C[C@@H]1CC(=O)C=C(Nc2cccc([O-])c2Cl)C1 ZINC001210773524 814619769 /nfs/dbraw/zinc/61/97/69/814619769.db2.gz YJKUPWUTERKETG-QMMMGPOBSA-N -1 1 251.713 3.340 20 30 CGEDMM CC(C)(C)n1ncc(C#N)c1Nc1ccc(F)c([O-])c1 ZINC001211214416 814851188 /nfs/dbraw/zinc/85/11/88/814851188.db2.gz VGAATOWZXBTTJG-UHFFFAOYSA-N -1 1 274.299 3.098 20 30 CGEDMM Cc1ccc(Nc2cc(C#N)c(F)cc2O)cc1C(=O)[O-] ZINC001211605903 814916627 /nfs/dbraw/zinc/91/66/27/814916627.db2.gz CCBYZMPEYAVOAZ-UHFFFAOYSA-N -1 1 286.262 3.153 20 30 CGEDMM CCc1cc(Nc2cc(=O)[n-]c(SC)n2)ccc1C#N ZINC001216315500 815778004 /nfs/dbraw/zinc/77/80/04/815778004.db2.gz IMLVDQNZTSRPTD-UHFFFAOYSA-N -1 1 286.360 3.082 20 30 CGEDMM Cc1nn(C)cc1[C@H](C)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223596239 816655109 /nfs/dbraw/zinc/65/51/09/816655109.db2.gz KXGHOODQNVNMEB-PXAAABLISA-N -1 1 293.754 3.296 20 30 CGEDMM [O-]/N=C(\OC(C1CC1)C1CC1)c1cc(F)ccc1F ZINC001223889643 816697928 /nfs/dbraw/zinc/69/79/28/816697928.db2.gz IWWCRDXGKWMINM-VKAVYKQESA-N -1 1 267.275 3.306 20 30 CGEDMM C=C(C)[C@@H]1CC=C(C)[C@@H](OCCCC[P@](=O)([O-])O)C1 ZINC001225023302 816934917 /nfs/dbraw/zinc/93/49/17/816934917.db2.gz XCJSKIWIDONSEQ-KGLIPLIRSA-N -1 1 288.324 3.262 20 30 CGEDMM C[C@@H](Oc1cccc(/C=N/[O-])c1)c1cccnc1F ZINC001226114721 817276665 /nfs/dbraw/zinc/27/66/65/817276665.db2.gz PTCJCNBITCSATD-IYPWXLATSA-N -1 1 260.268 3.169 20 30 CGEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1cccc(Cl)c1 ZINC001226256671 817312275 /nfs/dbraw/zinc/31/22/75/817312275.db2.gz UYRRPQZZGRPJFJ-VKPPLCHCSA-N -1 1 277.711 3.078 20 30 CGEDMM COc1ccc([C@@H](C)Oc2ccc([O-])c(C#N)c2C#N)cc1 ZINC001227618904 817684810 /nfs/dbraw/zinc/68/48/10/817684810.db2.gz OJSUZMAVWAPGPJ-LLVKDONJSA-N -1 1 294.310 3.284 20 30 CGEDMM N#Cc1ccc([O-])cc1OC[C@H]1CCc2ccccc2O1 ZINC001228004754 817781410 /nfs/dbraw/zinc/78/14/10/817781410.db2.gz 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N#Cc1cc(-c2cc(C3CC3)nc(C3CC3)n2)ccc1[O-] ZINC001242563008 823033299 /nfs/dbraw/zinc/03/32/99/823033299.db2.gz NRPHRPAJUWCIME-UHFFFAOYSA-N -1 1 277.327 3.476 20 30 CGEDMM N#Cc1cc(-c2cncc(N3CCCCCC3)n2)ccc1[O-] ZINC001242563010 823033486 /nfs/dbraw/zinc/03/34/86/823033486.db2.gz NTLGHVQQSHFOCF-UHFFFAOYSA-N -1 1 294.358 3.101 20 30 CGEDMM N#Cc1cc(-c2cncc(C(F)(F)F)c2)ccc1[O-] ZINC001242564158 823034630 /nfs/dbraw/zinc/03/46/30/823034630.db2.gz QWHHOIOMDSNDMT-UHFFFAOYSA-N -1 1 264.206 3.345 20 30 CGEDMM CCOC(=O)c1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565102 823035274 /nfs/dbraw/zinc/03/52/74/823035274.db2.gz LQSJFGKDHAHRMM-UHFFFAOYSA-N -1 1 267.284 3.108 20 30 CGEDMM COC(=O)c1cc(-c2ccc([O-])c(C#N)c2)cc2cc[nH]c21 ZINC001242564980 823035308 /nfs/dbraw/zinc/03/53/08/823035308.db2.gz FAEJPQGKUSJZQV-UHFFFAOYSA-N -1 1 292.294 3.199 20 30 CGEDMM COC(=O)c1cc2[nH]ccc2c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565042 823035778 /nfs/dbraw/zinc/03/57/78/823035778.db2.gz ILFXACIQWXKYND-UHFFFAOYSA-N -1 1 292.294 3.199 20 30 CGEDMM COc1c(F)ccc(C)c1-c1ccc([O-])c(C#N)c1 ZINC001242565410 823035787 /nfs/dbraw/zinc/03/57/87/823035787.db2.gz BIJIYEIMQQIQAE-UHFFFAOYSA-N -1 1 257.264 3.387 20 30 CGEDMM COC(=O)c1c[nH]c2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242565548 823036012 /nfs/dbraw/zinc/03/60/12/823036012.db2.gz JPGLALYHRGVVEA-UHFFFAOYSA-N -1 1 292.294 3.199 20 30 CGEDMM C=C(C)c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001456872122 937436307 /nfs/dbraw/zinc/43/63/07/937436307.db2.gz IDLYAIGOJZFIFD-UHFFFAOYSA-N -1 1 254.289 3.073 20 30 CGEDMM Cc1cnc(S[C@H](C)c2cccc(C#N)c2)[n-]c1=O ZINC001459093650 937479807 /nfs/dbraw/zinc/47/98/07/937479807.db2.gz MNQQLBSFBWRLDV-SNVBAGLBSA-N -1 1 271.345 3.216 20 30 CGEDMM C=CC[C@@H](CCC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396145 932144701 /nfs/dbraw/zinc/14/47/01/932144701.db2.gz QJLLYYNVPUBLSP-NSHDSACASA-N -1 1 251.282 3.424 20 30 CGEDMM C/C(=N\[O-])c1ccccc1O[C@H](C)Cc1ccco1 ZINC001229737214 932477302 /nfs/dbraw/zinc/47/73/02/932477302.db2.gz RUFYPAKMBLDWPD-VFJWTBQQSA-N -1 1 259.305 3.488 20 30 CGEDMM C=C[C@@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044607 932664444 /nfs/dbraw/zinc/66/44/44/932664444.db2.gz LXWVMJKYRYIGTK-RXMQYKEDSA-N -1 1 258.108 3.218 20 30 CGEDMM C[C@](C#N)(NC(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC001465226098 937699335 /nfs/dbraw/zinc/69/93/35/937699335.db2.gz VOYXNWFJRLTNBR-MRXNPFEDSA-N -1 1 290.338 3.124 20 30 CGEDMM COC(=O)c1cccc(/C=C\C(=O)c2cc(C)ccc2[O-])c1 ZINC001322546234 934314284 /nfs/dbraw/zinc/31/42/84/934314284.db2.gz FFOYYAPJUFVKPU-CLFYSBASSA-N -1 1 296.322 3.383 20 30 CGEDMM Cc1cnc(SCC#Cc2cccc(Cl)c2)[n-]c1=O ZINC001473036195 937790836 /nfs/dbraw/zinc/79/08/36/937790836.db2.gz SWFCIHIVQORQKJ-UHFFFAOYSA-N -1 1 290.775 3.288 20 30 CGEDMM C=C(CC(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001521756854 938034257 /nfs/dbraw/zinc/03/42/57/938034257.db2.gz IPTHBYOTDUAYAT-UHFFFAOYSA-N -1 1 285.347 3.119 20 30 CGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CC2CCC1CC2 ZINC001583397242 962805967 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ZINC000597954304 347609306 /nfs/dbraw/zinc/60/93/06/347609306.db2.gz IJQWBEZMLZVELQ-UHFFFAOYSA-N -1 1 298.386 3.450 20 30 CGEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cnco1 ZINC000611149562 348425508 /nfs/dbraw/zinc/42/55/08/348425508.db2.gz XRXXEOYNYXWUEA-JTQLQIEISA-N -1 1 287.344 3.179 20 30 CGEDMM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614366823 348670345 /nfs/dbraw/zinc/67/03/45/348670345.db2.gz KSNBPDQTMXHDIH-CJNGLKHVSA-N -1 1 286.375 3.353 20 30 CGEDMM Cn1ccc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc21 ZINC000615437441 348739572 /nfs/dbraw/zinc/73/95/72/348739572.db2.gz DVDTYNIXVKJXIO-UHFFFAOYSA-N -1 1 291.310 3.008 20 30 CGEDMM C=CCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)COC ZINC000617575794 348975994 /nfs/dbraw/zinc/97/59/94/348975994.db2.gz FHVUPVBNMFNAPW-ZDUSSCGKSA-N -1 1 299.370 3.209 20 30 CGEDMM C=CCCC[C@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632310710 351192314 /nfs/dbraw/zinc/19/23/14/351192314.db2.gz ZWSUIFOCENFBHQ-NSHDSACASA-N -1 1 281.783 3.449 20 30 CGEDMM C=CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633616044 351333191 /nfs/dbraw/zinc/33/31/91/351333191.db2.gz CPCCTIWBPVBEHK-GFCCVEGCSA-N -1 1 293.794 3.403 20 30 CGEDMM C=CC(C)(C)CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633668262 351342773 /nfs/dbraw/zinc/34/27/73/351342773.db2.gz BRIZAVBMAMBTJS-UHFFFAOYSA-N -1 1 281.783 3.307 20 30 CGEDMM Cc1ccsc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122676865 187045461 /nfs/dbraw/zinc/04/54/61/187045461.db2.gz MIHHWPCUORCXDF-LLVKDONJSA-N -1 1 295.367 3.433 20 30 CGEDMM N#C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000040360078 369154565 /nfs/dbraw/zinc/15/45/65/369154565.db2.gz ZXNJPOXYYRPDSH-CYBMUJFWSA-N -1 1 292.766 3.248 20 30 CGEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436721778 372837439 /nfs/dbraw/zinc/83/74/39/372837439.db2.gz XYMMHDWGJWARJX-BMIGLBTASA-N -1 1 292.766 3.248 20 30 CGEDMM CCc1ccc([C@H](C#N)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436729211 372840617 /nfs/dbraw/zinc/84/06/17/372840617.db2.gz GITXVXUQNIJWEW-HNNXBMFYSA-N -1 1 298.317 3.088 20 30 CGEDMM C=CCN(CCC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000436842131 372840649 /nfs/dbraw/zinc/84/06/49/372840649.db2.gz VRFVLMUIIIFFLC-UHFFFAOYSA-N -1 1 280.327 3.087 20 30 CGEDMM CC[C@H](C)CON=c1[n-]cc(Br)cc1C#N ZINC000295690205 372877011 /nfs/dbraw/zinc/87/70/11/372877011.db2.gz OBLTUEBZQXTTNA-QMMMGPOBSA-N -1 1 284.157 3.105 20 30 CGEDMM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000442977747 373137405 /nfs/dbraw/zinc/13/74/05/373137405.db2.gz WBJGORFWRXNFFT-STQMWFEESA-N -1 1 286.375 3.210 20 30 CGEDMM C=CC(C)(C)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000450726791 374174803 /nfs/dbraw/zinc/17/48/03/374174803.db2.gz WJRBCMHPCWBJBZ-UHFFFAOYSA-N -1 1 298.390 3.485 20 30 CGEDMM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188296784 375192829 /nfs/dbraw/zinc/19/28/29/375192829.db2.gz DCJBCIUIFOMGNB-LBPRGKRZSA-N -1 1 292.338 3.023 20 30 CGEDMM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000335977904 375588075 /nfs/dbraw/zinc/58/80/75/375588075.db2.gz 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/nfs/dbraw/zinc/27/07/94/809270794.db2.gz DUXQACORGIKDMS-UHFFFAOYSA-N -1 1 276.242 3.294 20 30 CGEDMM Cc1coc(Nc2c(F)ccc([O-])c2F)c1C#N ZINC001175265150 809330528 /nfs/dbraw/zinc/33/05/28/809330528.db2.gz CRTPGLIRYSTQRC-UHFFFAOYSA-N -1 1 250.204 3.187 20 30 CGEDMM N#Cc1cc(F)cc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175683462 809502776 /nfs/dbraw/zinc/50/27/76/809502776.db2.gz QEWRXEYSUPUUJJ-UHFFFAOYSA-N -1 1 296.257 3.253 20 30 CGEDMM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001298624577 809535543 /nfs/dbraw/zinc/53/55/43/809535543.db2.gz UHRZMLJUPPBHDZ-SWLSCSKDSA-N -1 1 286.375 3.210 20 30 CGEDMM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001298624578 809536212 /nfs/dbraw/zinc/53/62/12/809536212.db2.gz UHRZMLJUPPBHDZ-WFASDCNBSA-N -1 1 286.375 3.210 20 30 CGEDMM COc1ccccc1[C@H](C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001187685383 810416298 /nfs/dbraw/zinc/41/62/98/810416298.db2.gz BWXWAOQYROZJKF-NSHDSACASA-N -1 1 296.326 3.015 20 30 CGEDMM CCCCCCCNC(=O)Nc1scc([O-])c1C#N ZINC001191086991 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COc1c(F)cc(C)cc1-c1ccc([O-])c(C#N)c1 ZINC001242566388 823036969 /nfs/dbraw/zinc/03/69/69/823036969.db2.gz WNXBDCBONFWADR-UHFFFAOYSA-N -1 1 257.264 3.387 20 30 CGEDMM CCCC[C@H](C(=O)[N-]Oc1cccc(C#N)c1)C(C)C ZINC001454683204 937410707 /nfs/dbraw/zinc/41/07/07/937410707.db2.gz NZYVXGALTYMSHA-HNNXBMFYSA-N -1 1 274.364 3.431 20 30 CGEDMM C=CC[C@@H](C=C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229130630 932101219 /nfs/dbraw/zinc/10/12/19/932101219.db2.gz ASSYCFQAZUXFBY-LLVKDONJSA-N -1 1 258.273 3.008 20 30 CGEDMM C#C[C@@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccccc1 ZINC001229257871 932125077 /nfs/dbraw/zinc/12/50/77/932125077.db2.gz AUXVDMMBZDGMPM-CYBMUJFWSA-N -1 1 280.323 3.218 20 30 CGEDMM N#C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC001229398830 932144623 /nfs/dbraw/zinc/14/46/23/932144623.db2.gz BMCBRBXVVFSZHO-AWEZNQCLSA-N -1 1 288.234 3.083 20 30 CGEDMM C/C(=N\[O-])c1ccccc1O[C@H]1CCC(F)(F)C1 ZINC001229738436 932478030 /nfs/dbraw/zinc/47/80/30/932478030.db2.gz KVHAWYPHRPEZJZ-JSJZUPIVSA-N -1 1 255.264 3.451 20 30 CGEDMM CSc1cc(C)c(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242566203 932703879 /nfs/dbraw/zinc/70/38/79/932703879.db2.gz MUKIWUVQIJCWPS-UHFFFAOYSA-N -1 1 256.330 3.356 20 30 CGEDMM COC(=O)c1cccc(/C=C/C(=O)c2cc(C)ccc2[O-])c1 ZINC001322546235 934313460 /nfs/dbraw/zinc/31/34/60/934313460.db2.gz FFOYYAPJUFVKPU-VQHVLOKHSA-N -1 1 296.322 3.383 20 30 CGEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1F ZINC001324410222 934499722 /nfs/dbraw/zinc/49/97/22/934499722.db2.gz YDCZWOIOQNARLF-ZZXKWVIFSA-N -1 1 288.274 3.142 20 30 CGEDMM COc1cc(/C=C\C(=O)c2ccc([O-])cc2)ccc1F ZINC001335665653 936156293 /nfs/dbraw/zinc/15/62/93/936156293.db2.gz DAXXJPKCRJKKTL-OQFOIZHKSA-N -1 1 272.275 3.436 20 30 CGEDMM C=C(C)CCC(=O)Nc1cccc([O-])c1Br ZINC001335979751 936170835 /nfs/dbraw/zinc/17/08/35/936170835.db2.gz RTMYVVFDZKLTBK-UHFFFAOYSA-N -1 1 284.153 3.450 20 30 CGEDMM Cc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1C#N ZINC001556592493 938204586 /nfs/dbraw/zinc/20/45/86/938204586.db2.gz PRNFPEOWUMJUAS-UHFFFAOYSA-N -1 1 288.253 3.103 20 30 CGEDMM C=CCC1(NC(=O)c2ncc(C)cc2[O-])CCCCC1 ZINC001569103800 961692265 /nfs/dbraw/zinc/69/22/65/961692265.db2.gz SMQHWURGGYTJJU-UHFFFAOYSA-N -1 1 274.364 3.104 20 30 CGEDMM C#C[C@@H](C)N(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001588368824 963272421 /nfs/dbraw/zinc/27/24/21/963272421.db2.gz SWIYHHUWTMFTLK-GFCCVEGCSA-N -1 1 283.327 3.098 20 30 CGEDMM C=C(C)[C@H](NC/C=C(\C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534070 963279008 /nfs/dbraw/zinc/27/90/08/963279008.db2.gz DWLNGENLIIEOEX-XYYIANASSA-N -1 1 281.302 3.203 20 30 CGEDMM C=CCCC[C@H](C)Sc1cccnc1-c1nnn[n-]1 ZINC001588595128 963286186 /nfs/dbraw/zinc/28/61/86/963286186.db2.gz YZRIMJQDZHCSND-JTQLQIEISA-N -1 1 275.381 3.099 20 30 CGEDMM C=CCCC[C@H](C)Sc1cccnc1-c1nn[n-]n1 ZINC001588595128 963286198 /nfs/dbraw/zinc/28/61/98/963286198.db2.gz YZRIMJQDZHCSND-JTQLQIEISA-N -1 1 275.381 3.099 20 30 CGEDMM C=C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC001588663402 963300352 /nfs/dbraw/zinc/30/03/52/963300352.db2.gz FKQLQAMSAZGHNQ-SNVBAGLBSA-N -1 1 274.147 3.064 20 30 CGEDMM C=C[C@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1Cl ZINC001588663402 963300361 /nfs/dbraw/zinc/30/03/61/963300361.db2.gz FKQLQAMSAZGHNQ-SNVBAGLBSA-N -1 1 274.147 3.064 20 30 CGEDMM C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(C(=O)[O-])co1 ZINC001593233727 994393453 /nfs/dbraw/zinc/39/34/53/994393453.db2.gz SWPBDSIHLVXIKD-BONVTDFDSA-N -1 1 296.326 3.188 20 30 CGEDMM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1(C)C ZINC001594423991 999585787 /nfs/dbraw/zinc/58/57/87/999585787.db2.gz NTWSJKDDDFOXAP-GFCCVEGCSA-N -1 1 286.375 3.124 20 30 CGEDMM CC(C)=CCC[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590771297 346874024 /nfs/dbraw/zinc/87/40/24/346874024.db2.gz NBSPWNUWBJKDOS-LBPRGKRZSA-N -1 1 272.348 3.129 20 30 CGEDMM Cc1cc(C)c(CNC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589168015 346785756 /nfs/dbraw/zinc/78/57/56/346785756.db2.gz QWKSKPDDIYRAOH-UHFFFAOYSA-N -1 1 294.354 3.119 20 30 CGEDMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589181341 346787728 /nfs/dbraw/zinc/78/77/28/346787728.db2.gz OWJGMOVLHCTKNI-TZMCWYRMSA-N -1 1 286.375 3.210 20 30 CGEDMM CC1(C)CCC(C)(C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000600225875 347795415 /nfs/dbraw/zinc/79/54/15/347795415.db2.gz DJSYUGKFUFMJQN-UHFFFAOYSA-N -1 1 286.375 3.305 20 30 CGEDMM N#Cc1ccc([O-])c(-c2cccc(CO[C@@H]3CCOC3)c2)c1 ZINC000600785976 347835241 /nfs/dbraw/zinc/83/52/41/347835241.db2.gz XLTNOANOSNHJEF-MRXNPFEDSA-N -1 1 295.338 3.236 20 30 CGEDMM Cc1nc(S[C@H]2CC[C@H](C#N)C2)[n-]c(=O)c1C1CC1 ZINC000601088184 347868040 /nfs/dbraw/zinc/86/80/40/347868040.db2.gz MHFMFJMOIGAZFE-ONGXEEELSA-N -1 1 275.377 3.152 20 30 CGEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccco1 ZINC000601699563 347907776 /nfs/dbraw/zinc/90/77/76/347907776.db2.gz OPBVUZPHGIEKGW-OAHLLOKOSA-N -1 1 296.326 3.080 20 30 CGEDMM CCc1cccc(C(=O)Nc2cc(C#N)ccc2OC)c1[O-] ZINC000611279767 348435213 /nfs/dbraw/zinc/43/52/13/348435213.db2.gz ZQOGUJJWPGHMDR-UHFFFAOYSA-N -1 1 296.326 3.087 20 30 CGEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cnco1 ZINC000611149563 348425595 /nfs/dbraw/zinc/42/55/95/348425595.db2.gz XRXXEOYNYXWUEA-SNVBAGLBSA-N -1 1 287.344 3.179 20 30 CGEDMM C=CC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000628485239 350553697 /nfs/dbraw/zinc/55/36/97/350553697.db2.gz FRNMZIYOQDHPEV-SNVBAGLBSA-N -1 1 265.740 3.084 20 30 CGEDMM C=CCCC(C)(C)CN=c1nc([C@H](C)OC)[n-]s1 ZINC000631450429 351043376 /nfs/dbraw/zinc/04/33/76/351043376.db2.gz IGJDQQNENRLVMU-JTQLQIEISA-N -1 1 269.414 3.072 20 30 CGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C#N)cc2C)n1 ZINC000129307039 370981877 /nfs/dbraw/zinc/98/18/77/370981877.db2.gz GRRJRYNISQWVAQ-CYBMUJFWSA-N -1 1 281.340 3.122 20 30 CGEDMM Cc1ccc(C=CC(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000072673388 369833714 /nfs/dbraw/zinc/83/37/14/369833714.db2.gz RMWHHNTVVYCLSL-SNAWJCMRSA-N -1 1 286.213 3.026 20 30 CGEDMM Cc1nc2ccc(C(=O)C(C#N)c3ccccn3)cc2s1 ZINC000433116810 372582010 /nfs/dbraw/zinc/58/20/10/372582010.db2.gz NAKBFVOBYFMXSJ-GFCCVEGCSA-N -1 1 293.351 3.490 20 30 CGEDMM CC(C)(CCC#N)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000436742855 372840428 /nfs/dbraw/zinc/84/04/28/372840428.db2.gz XBYFWAONNHRAFT-UHFFFAOYSA-N -1 1 280.755 3.105 20 30 CGEDMM C[C@H]1CCN(C(=O)c2sccc2C#N)c2c([O-])cccc21 ZINC000186318574 374831781 /nfs/dbraw/zinc/83/17/81/374831781.db2.gz SNRICKNWNIHXLU-JTQLQIEISA-N -1 1 298.367 3.479 20 30 CGEDMM CC(C)N(C(=O)c1ccc(C#N)c([O-])c1)C1CCCC1 ZINC000188543663 375228604 /nfs/dbraw/zinc/22/86/04/375228604.db2.gz HKCGWDWETPUEFC-UHFFFAOYSA-N -1 1 272.348 3.057 20 30 CGEDMM CC(C)N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190052017 375473102 /nfs/dbraw/zinc/47/31/02/375473102.db2.gz QLWLFOZQLNEQMW-UHFFFAOYSA-N -1 1 294.354 3.315 20 30 CGEDMM N#CC(=C([O-])c1ccsc1)c1cnc2ccccc2n1 ZINC000190895177 375548059 /nfs/dbraw/zinc/54/80/59/375548059.db2.gz QYNAAMBDHKRFTK-LLVKDONJSA-N -1 1 279.324 3.181 20 30 CGEDMM CCc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2OC)c1 ZINC000536686322 376121967 /nfs/dbraw/zinc/12/19/67/376121967.db2.gz HELXYALCVMPUPX-UHFFFAOYSA-N -1 1 296.326 3.087 20 30 CGEDMM C=C(CC)CN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000583939927 378358996 /nfs/dbraw/zinc/35/89/96/378358996.db2.gz JMVXHBSBOWLDQL-UHFFFAOYSA-N -1 1 283.318 3.208 20 30 CGEDMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)c(C)c2)o1 ZINC000417568615 380639884 /nfs/dbraw/zinc/63/98/84/380639884.db2.gz KMKZXKZXHQTAES-HNNXBMFYSA-N -1 1 298.342 3.074 20 30 CGEDMM CC(C)(C#N)CCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188149116 262149664 /nfs/dbraw/zinc/14/96/64/262149664.db2.gz NMHKIJQPYUJBIQ-UHFFFAOYSA-N -1 1 277.393 3.482 20 30 CGEDMM C=C(C)C(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000424351829 330345607 /nfs/dbraw/zinc/34/56/07/330345607.db2.gz CSNUUQPKEAZPMR-UHFFFAOYSA-N -1 1 262.284 3.435 20 30 CGEDMM C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000443642314 330804484 /nfs/dbraw/zinc/80/44/84/330804484.db2.gz YOPKGQWZXIWAFI-INIZCTEOSA-N -1 1 285.347 3.323 20 30 CGEDMM C=CCSCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000223898977 333213378 /nfs/dbraw/zinc/21/33/78/333213378.db2.gz DQCYYSILECBFPV-UHFFFAOYSA-N -1 1 287.384 3.194 20 30 CGEDMM C=CCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000522830172 333296194 /nfs/dbraw/zinc/29/61/94/333296194.db2.gz PXIARWLXDRSHHW-UHFFFAOYSA-N -1 1 264.272 3.259 20 30 CGEDMM C=CCC(CC=C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000344932994 527028575 /nfs/dbraw/zinc/02/85/75/527028575.db2.gz DKVSSCPMCQZTPE-UHFFFAOYSA-N -1 1 287.388 3.267 20 30 CGEDMM Cc1cccc(CC(N=Nc2nc(C)cc(=O)[n-]2)C2CC2)c1 ZINC000736427600 572790440 /nfs/dbraw/zinc/79/04/40/572790440.db2.gz AWFNKINIQYZTKU-UHFFFAOYSA-N -1 1 296.374 3.220 20 30 CGEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C#N)cc1 ZINC000827718134 600737021 /nfs/dbraw/zinc/73/70/21/600737021.db2.gz PCAPNMGGMJGDSJ-BZNIZROVSA-N -1 1 298.317 3.174 20 30 CGEDMM C[C@@H]1c2ccccc2CN1[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828528045 601117021 /nfs/dbraw/zinc/11/70/21/601117021.db2.gz QIUTWNMJXBMFLI-PXAZEXFGSA-N -1 1 292.338 3.261 20 30 CGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccnn1C1CCC1)O2 ZINC000899347710 620647142 /nfs/dbraw/zinc/64/71/42/620647142.db2.gz BVHVCPCDIVMBRC-OVCLIPMQSA-N -1 1 296.326 3.238 20 30 CGEDMM C#CCc1c(C)[n-]n(Cc2cccc(Cl)c2Cl)c1=O ZINC000899355150 620652298 /nfs/dbraw/zinc/65/22/98/620652298.db2.gz NRXOISGICLYLSR-NSHDSACASA-N -1 1 295.169 3.351 20 30 CGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccnn2C2CCC2)c1 ZINC000899363918 620659515 /nfs/dbraw/zinc/65/95/15/620659515.db2.gz VOIDONNBQYHIOW-ALCCZGGFSA-N -1 1 298.342 3.218 20 30 CGEDMM Cc1ccoc1C(C)N=Nc1ccccc1C(=O)[O-] ZINC000767763835 605095265 /nfs/dbraw/zinc/09/52/65/605095265.db2.gz PKJLERNTMWAYGQ-UHFFFAOYSA-N -1 1 258.277 3.122 20 30 CGEDMM C=CC[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000890551927 617636100 /nfs/dbraw/zinc/63/61/00/617636100.db2.gz FOPVDFZMTFIXDZ-SNVBAGLBSA-N -1 1 285.265 3.202 20 30 CGEDMM C=CCC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759290 617815248 /nfs/dbraw/zinc/81/52/48/617815248.db2.gz JFBIGJFIPUXNBI-UHFFFAOYSA-N -1 1 267.756 3.264 20 30 CGEDMM C=C[C@](C)(CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759937 617816841 /nfs/dbraw/zinc/81/68/41/617816841.db2.gz WHEMONWRAYUCOS-CQSZACIVSA-N -1 1 267.756 3.264 20 30 CGEDMM COc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000255393851 618273245 /nfs/dbraw/zinc/27/32/45/618273245.db2.gz FSVIMSFCEIKLSS-ALCCZGGFSA-N -1 1 270.284 3.003 20 30 CGEDMM CCCCCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000104759116 619204945 /nfs/dbraw/zinc/20/49/45/619204945.db2.gz HBASCTXNMABPGV-UHFFFAOYSA-N -1 1 278.278 3.123 20 30 CGEDMM COC1(C(=O)N([O-])Cc2cccc3ccccc32)CCC1 ZINC000901371036 620866186 /nfs/dbraw/zinc/86/61/86/620866186.db2.gz KZZMOCRQIWRPGO-UHFFFAOYSA-N -1 1 285.343 3.127 20 30 CGEDMM CC[C@@H](C)OCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371734 620866296 /nfs/dbraw/zinc/86/62/96/620866296.db2.gz XUGYVYQRFFUIQS-CYBMUJFWSA-N -1 1 287.359 3.373 20 30 CGEDMM CC(C)c1c[nH]c(C=C2Cc3cc([O-])ccc3C2=O)n1 ZINC000901490287 620899000 /nfs/dbraw/zinc/89/90/00/620899000.db2.gz GPRDTUPNLLEZLY-YRNVUSSQSA-N -1 1 268.316 3.061 20 30 CGEDMM C=C(C)C(C)(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987709 622513387 /nfs/dbraw/zinc/51/33/87/622513387.db2.gz TYCBJLKYFMABDC-UHFFFAOYSA-N -1 1 255.264 3.211 20 30 CGEDMM O=C(/C=C\c1cccc2c1OCO2)c1ccc([O-])cc1 ZINC000915981080 624089065 /nfs/dbraw/zinc/08/90/65/624089065.db2.gz JKAUSEVBEJNZIG-TWGQIWQCSA-N -1 1 268.268 3.017 20 30 CGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cccc(C#N)c1)O2 ZINC000915988853 624094099 /nfs/dbraw/zinc/09/40/99/624094099.db2.gz KPMDHNMMHXFKKJ-CHHVJCJISA-N -1 1 277.279 3.189 20 30 CGEDMM Cc1cccc(CN=Nc2ccc(C(=O)[O-])cc2)c1 ZINC000916240587 624123649 /nfs/dbraw/zinc/12/36/49/624123649.db2.gz HWMOHOIFOOFLFG-UHFFFAOYSA-N -1 1 254.289 3.139 20 30 CGEDMM O=C([O-])c1ccc(N=NCc2c[nH]c3cc(F)ccc23)cc1 ZINC000917529443 624283796 /nfs/dbraw/zinc/28/37/96/624283796.db2.gz QBHRHUGFMKJKGE-UHFFFAOYSA-N -1 1 297.289 3.451 20 30 CGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1c(F)cccc1F ZINC000187221361 626173209 /nfs/dbraw/zinc/17/32/09/626173209.db2.gz FUHAIQIZGJHDGB-CSKARUKUSA-N -1 1 272.250 3.493 20 30 CGEDMM C=CCC(F)(F)C(=O)[N-][C@@](C)(CC)C(F)(F)F ZINC000839291429 626335324 /nfs/dbraw/zinc/33/53/24/626335324.db2.gz NSIIIMZLEZINDT-QMMMGPOBSA-N -1 1 259.218 3.045 20 30 CGEDMM N#Cc1cccc(NN=Cc2c([O-])cccc2Cl)c1 ZINC000755624231 626632398 /nfs/dbraw/zinc/63/23/98/626632398.db2.gz HYLDPEHSDDCPST-UHFFFAOYSA-N -1 1 271.707 3.363 20 30 CGEDMM Cc1c(NN=Cc2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000755697261 626637759 /nfs/dbraw/zinc/63/77/59/626637759.db2.gz HMKKMFKPCSVTFE-UHFFFAOYSA-N -1 1 289.266 3.194 20 30 CGEDMM COc1cc2c(cc1/C=C\C(=O)c1ccc([O-])cc1)OCO2 ZINC000758909223 626865562 /nfs/dbraw/zinc/86/55/62/626865562.db2.gz BZLSQEQIFBHAFS-DAXSKMNVSA-N -1 1 298.294 3.026 20 30 CGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(C#N)c(C)c1)O2 ZINC000766492303 627337942 /nfs/dbraw/zinc/33/79/42/627337942.db2.gz UEFOWUVLUZJYRY-FRKPEAEDSA-N -1 1 291.306 3.497 20 30 CGEDMM Cc1cncc(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000767367279 627402100 /nfs/dbraw/zinc/40/21/00/627402100.db2.gz RPKKYNHEOFWFLZ-RQOWECAXSA-N -1 1 257.264 3.131 20 30 CGEDMM C[C@H](CC#N)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774587862 628006918 /nfs/dbraw/zinc/00/69/18/628006918.db2.gz WOMXAJDUZGDSNS-SNVBAGLBSA-N -1 1 287.750 3.424 20 30 CGEDMM O=C([O-])c1ccc(NN=Cc2cc(F)cc(Cl)c2)nc1 ZINC000776726458 628227306 /nfs/dbraw/zinc/22/73/06/628227306.db2.gz OEQLQAAEZMBJNW-UHFFFAOYSA-N -1 1 293.685 3.018 20 30 CGEDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1ccc([O-])cc1 ZINC000777910863 628310591 /nfs/dbraw/zinc/31/05/91/628310591.db2.gz FAANGAAHRJGOMP-XBXARRHUSA-N -1 1 287.246 3.336 20 30 CGEDMM CC(N=Nc1ncncc1Cl)c1ccc([O-])c(Cl)c1 ZINC000780282303 628477144 /nfs/dbraw/zinc/47/71/44/628477144.db2.gz AYAHBKSNJVSGHO-UHFFFAOYSA-N -1 1 297.145 3.325 20 30 CGEDMM CCCC(=NNc1nc(C)cc(=O)[n-]1)c1ccsc1 ZINC000785450469 628863311 /nfs/dbraw/zinc/86/33/11/628863311.db2.gz GFGXLZYUEOXCAV-UHFFFAOYSA-N -1 1 276.365 3.168 20 30 CGEDMM N#CC(=C([O-])C1=COCCC1)c1nccc2ccccc21 ZINC000792103019 629337710 /nfs/dbraw/zinc/33/77/10/629337710.db2.gz RCLXLHYDHQGECT-HNNXBMFYSA-N -1 1 278.311 3.105 20 30 CGEDMM Cc1ccc2nc(N=Cc3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC000793666634 629494802 /nfs/dbraw/zinc/49/48/02/629494802.db2.gz HLDXIZSVSFCCBJ-UHFFFAOYSA-N -1 1 296.286 3.236 20 30 CGEDMM O=C1c2ccc(F)cc2OC/C1=C/c1ccc([O-])c(F)c1 ZINC000794728433 629572956 /nfs/dbraw/zinc/57/29/56/629572956.db2.gz PTTLGALZWZVCOJ-YHYXMXQVSA-N -1 1 288.249 3.329 20 30 CGEDMM C=CCNN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000794993806 629617011 /nfs/dbraw/zinc/61/70/11/629617011.db2.gz IDEBPIILPGUNHT-UHFFFAOYSA-N -1 1 259.136 3.199 20 30 CGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2F)c(O)c1 ZINC000806559026 630566643 /nfs/dbraw/zinc/56/66/43/630566643.db2.gz SBQILFDOIHHBBA-SOFGYWHQSA-N -1 1 286.258 3.126 20 30 CGEDMM C=CCCC(C)(C)CNc1cc(Cl)[n-]c(=O)n1 ZINC000866026020 632978852 /nfs/dbraw/zinc/97/88/52/632978852.db2.gz ZKADNRDUCOJVAX-UHFFFAOYSA-N -1 1 255.749 3.240 20 30 CGEDMM C=C(C)CO[N-]C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000846537279 636195071 /nfs/dbraw/zinc/19/50/71/636195071.db2.gz JKZRPNMTPWUGKP-SNVBAGLBSA-N -1 1 287.281 3.433 20 30 CGEDMM C=C[C@@H](C)O[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000846554117 636202268 /nfs/dbraw/zinc/20/22/68/636202268.db2.gz HSUYKTGQPCSJSM-LLVKDONJSA-N -1 1 279.767 3.285 20 30 CGEDMM C[C@H]1c2sccc2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000882181741 636282991 /nfs/dbraw/zinc/28/29/91/636282991.db2.gz DYEDFLXIDNPWBR-JTQLQIEISA-N -1 1 298.367 3.085 20 30 CGEDMM C=C(Cl)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000134882778 637048053 /nfs/dbraw/zinc/04/80/53/637048053.db2.gz ZRWQAORMANFAQW-UHFFFAOYSA-N -1 1 261.708 3.028 20 30 CGEDMM CCc1nn(C)cc1N[C@H](CC)c1cccc(C#N)c1[O-] ZINC000925959101 638664726 /nfs/dbraw/zinc/66/47/26/638664726.db2.gz AZJVZQOHLURGOV-CYBMUJFWSA-N -1 1 284.363 3.123 20 30 CGEDMM Cn1c(-c2ccc(C#N)cc2[O-])nc2ccc(F)c(F)c21 ZINC001251335597 805884889 /nfs/dbraw/zinc/88/48/89/805884889.db2.gz LKNUOIAKQPSIBA-UHFFFAOYSA-N -1 1 285.253 3.096 20 30 CGEDMM C#C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC001163096613 806702778 /nfs/dbraw/zinc/70/27/78/806702778.db2.gz HQMCNYODZBRXOB-CYBMUJFWSA-N -1 1 285.730 3.150 20 30 CGEDMM Cc1cccn2c(/C=C3\Cc4cc([O-])ccc4C3=O)cnc12 ZINC000588534933 799706856 /nfs/dbraw/zinc/70/68/56/799706856.db2.gz ANQQFVBLIKKDPV-MDWZMJQESA-N -1 1 290.322 3.171 20 30 CGEDMM Cc1cc(-c2ncnc3ccc(C#N)cc32)cc([O-])c1F ZINC001244496205 803403448 /nfs/dbraw/zinc/40/34/48/803403448.db2.gz OJBYHMJWAQALKJ-UHFFFAOYSA-N -1 1 279.274 3.322 20 30 CGEDMM Cc1cc(C#N)cnc1-c1c(F)c([O-])ccc1Cl ZINC001244538008 803425848 /nfs/dbraw/zinc/42/58/48/803425848.db2.gz IMCFHBDHTSLVDT-UHFFFAOYSA-N -1 1 262.671 3.427 20 30 CGEDMM N#Cc1ccc(Nc2ccc([O-])c(F)c2F)c(C#N)c1 ZINC001212016367 814968046 /nfs/dbraw/zinc/96/80/46/814968046.db2.gz MRJGHUQCRXWLHQ-UHFFFAOYSA-N -1 1 271.226 3.157 20 30 CGEDMM C#CCCc1cc(=O)n(-c2cc(Cl)ccc2C)[n-]1 ZINC001245952241 804086453 /nfs/dbraw/zinc/08/64/53/804086453.db2.gz VIBPWPDVSHBSSM-UHFFFAOYSA-N -1 1 260.724 3.106 20 30 CGEDMM C=C(C)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] 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20 30 CGEDMM N#Cc1ccc(Nc2cccc(F)c2[O-])cc1C#N ZINC001210199655 814335546 /nfs/dbraw/zinc/33/55/46/814335546.db2.gz LUJIQFFBTUANEM-UHFFFAOYSA-N -1 1 253.236 3.018 20 30 CGEDMM Cc1cc(Nc2nc3c(cccc3[O-])s2)cnc1C#N ZINC001210200862 814336055 /nfs/dbraw/zinc/33/60/55/814336055.db2.gz BTKJFZBQZBNPOQ-UHFFFAOYSA-N -1 1 282.328 3.321 20 30 CGEDMM Cc1ccc(C#N)cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001210505058 814494589 /nfs/dbraw/zinc/49/45/89/814494589.db2.gz GHFZMLLHWSGUAW-UHFFFAOYSA-N -1 1 295.342 3.018 20 30 CGEDMM [O-]/N=C(\OC[C@@H]1CCCCO1)c1ccc(Cl)cc1 ZINC001223592697 816653906 /nfs/dbraw/zinc/65/39/06/816653906.db2.gz CTVIVQMXWNCDSN-AHAXBBEGSA-N -1 1 269.728 3.062 20 30 CGEDMM CCC[C@@H](CC(=O)OC)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223593789 816655452 /nfs/dbraw/zinc/65/54/52/816655452.db2.gz OEKSEZKHOQNRIG-XQTVBXIXSA-N -1 1 299.754 3.224 20 30 CGEDMM CC#C[C@H](CC)O/C(=N\[O-])c1ccccc1Br ZINC001223885860 816697241 /nfs/dbraw/zinc/69/72/41/816697241.db2.gz NPDLPFJYKGQMNM-ZSNVJIKNSA-N -1 1 296.164 3.403 20 30 CGEDMM C[C@H](COC(C)(C)C)O/C(=N\[O-])c1cc(F)ccc1F ZINC001223888512 816697411 /nfs/dbraw/zinc/69/74/11/816697411.db2.gz LDFWFTVPZNCHJE-FCZKIDGVSA-N -1 1 287.306 3.321 20 30 CGEDMM CC(C)O/C(=N\[O-])c1ccccc1Br ZINC001223885466 816697728 /nfs/dbraw/zinc/69/77/28/816697728.db2.gz LYZBWQCIGLHYKP-BENRWUELSA-N -1 1 258.115 3.010 20 30 CGEDMM N#Cc1ccc(C(F)(F)F)nc1-c1ccc(F)c([O-])c1 ZINC001243047958 823224808 /nfs/dbraw/zinc/22/48/08/823224808.db2.gz HZOQENXQCMIXEK-UHFFFAOYSA-N -1 1 282.196 3.484 20 30 CGEDMM CCCCCCCC[C@H](C)OCC[P@](=O)([O-])O ZINC001224600928 816832124 /nfs/dbraw/zinc/83/21/24/816832124.db2.gz BWMWTFXAMGSKMN-LBPRGKRZSA-N -1 1 266.318 3.320 20 30 CGEDMM C=CC[C@@H](Oc1cc([O-])ccc1C(=O)COC)C(C)C ZINC001227172710 817579384 /nfs/dbraw/zinc/57/93/84/817579384.db2.gz ROEIGDPVVAKTCA-OAHLLOKOSA-N -1 1 278.348 3.201 20 30 CGEDMM C=C[C@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306859 817622504 /nfs/dbraw/zinc/62/25/04/817622504.db2.gz ODLMWWNQAQTMIR-VIFPVBQESA-N -1 1 298.294 3.311 20 30 CGEDMM C[C@@H]1CCCC[C@@H]1Oc1ccc([O-])c(C#N)c1C#N ZINC001227617233 817683506 /nfs/dbraw/zinc/68/35/06/817683506.db2.gz BDIIQTCOGGBLQL-YGRLFVJLSA-N -1 1 256.305 3.093 20 30 CGEDMM N#Cc1c([O-])ccc(O[C@@H]2CCc3ccccc3C2)c1C#N ZINC001227619695 817684351 /nfs/dbraw/zinc/68/43/51/817684351.db2.gz UCULYMCZGQFJPG-CQSZACIVSA-N -1 1 290.322 3.072 20 30 CGEDMM COc1ccc([C@H](C)Oc2cc([O-])ccc2C#N)cc1 ZINC001228006805 817783426 /nfs/dbraw/zinc/78/34/26/817783426.db2.gz IJCWNIHPXPQYDX-NSHDSACASA-N -1 1 269.300 3.412 20 30 CGEDMM C=C(C)C[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(=C)C ZINC001231261350 818066012 /nfs/dbraw/zinc/06/60/12/818066012.db2.gz ATQKGPBOCYPOKC-GFCCVEGCSA-N -1 1 278.308 3.294 20 30 CGEDMM C=CC[C@@H](CCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259959 818066057 /nfs/dbraw/zinc/06/60/57/818066057.db2.gz QNVLYIYSUZWBKZ-JTQLQIEISA-N -1 1 266.297 3.127 20 30 CGEDMM N#Cc1ccc(CN2Cc3cccc(Cl)c3C2)c([O-])c1 ZINC001233386619 818607457 /nfs/dbraw/zinc/60/74/57/818607457.db2.gz AXNMVXSBQRIWSS-UHFFFAOYSA-N -1 1 284.746 3.433 20 30 CGEDMM C=C(C)C[C@@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(=C)C ZINC001234607089 818891451 /nfs/dbraw/zinc/89/14/51/818891451.db2.gz XLJWAXVJZGLGPC-GFCCVEGCSA-N -1 1 295.310 3.003 20 30 CGEDMM N#CCC1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792033 819594684 /nfs/dbraw/zinc/59/46/84/819594684.db2.gz AOPOXCVFWJPAPI-UHFFFAOYSA-N -1 1 271.147 3.044 20 30 CGEDMM N#Cc1cc2c(nc1-c1cccc([O-])c1F)CCCC2 ZINC001243543869 823436998 /nfs/dbraw/zinc/43/69/98/823436998.db2.gz JIISXGWFCMBJLT-UHFFFAOYSA-N -1 1 268.291 3.344 20 30 CGEDMM COc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])cc1F ZINC001239518222 820365038 /nfs/dbraw/zinc/36/50/38/820365038.db2.gz JXNOTPJXKVNWRE-JXAWBTAJSA-N -1 1 272.279 3.021 20 30 CGEDMM N#Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1F ZINC001240157836 820865077 /nfs/dbraw/zinc/86/50/77/820865077.db2.gz YTUMMZFEFVZPNZ-QGMBQPNBSA-N -1 1 258.227 3.312 20 30 CGEDMM COc1cc(-c2c(F)cc([O-])cc2F)ccc1CC#N ZINC001241120931 821577079 /nfs/dbraw/zinc/57/70/79/821577079.db2.gz SWLTWWSIKOEABD-UHFFFAOYSA-N -1 1 275.254 3.412 20 30 CGEDMM [O-]/N=C/c1ccc(F)c(-c2ccc(N3CCCC3)nc2)c1 ZINC001241378238 821779843 /nfs/dbraw/zinc/77/98/43/821779843.db2.gz LHCNMKRNRIXIOS-VXLYETTFSA-N -1 1 285.322 3.296 20 30 CGEDMM Cc1cc2ncccc2nc1-c1ccc([O-])c(C#N)c1 ZINC001242563012 823033321 /nfs/dbraw/zinc/03/33/21/823033321.db2.gz NWJTVNBVDHOVEX-UHFFFAOYSA-N -1 1 261.284 3.183 20 30 CGEDMM COC(=O)c1cccc(C)c1-c1ccc([O-])c(C#N)c1 ZINC001242564611 823034593 /nfs/dbraw/zinc/03/45/93/823034593.db2.gz JMSKNWOBFMYHMC-UHFFFAOYSA-N -1 1 267.284 3.026 20 30 CGEDMM COc1ccc(-c2ccc([O-])c(C#N)c2)c2cc[nH]c21 ZINC001242565261 823035185 /nfs/dbraw/zinc/03/51/85/823035185.db2.gz UDPAKYVIGKMAHT-UHFFFAOYSA-N -1 1 264.284 3.421 20 30 CGEDMM COc1cccc2cc(-c3ccc([O-])c(C#N)c3)cnc21 ZINC001242565139 823035752 /nfs/dbraw/zinc/03/57/52/823035752.db2.gz NKZYCKWONVGDAK-UHFFFAOYSA-N -1 1 276.295 3.488 20 30 CGEDMM C=C(C)c1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC001365142228 937234544 /nfs/dbraw/zinc/23/45/44/937234544.db2.gz DWEWGNCJRPHEIL-UHFFFAOYSA-N -1 1 295.342 3.345 20 30 CGEDMM C#CC[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229517002 932164404 /nfs/dbraw/zinc/16/44/04/932164404.db2.gz MLKGJHOUAPIPSC-LLVKDONJSA-N -1 1 294.306 3.442 20 30 CGEDMM CCCCOC[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229736458 932476799 /nfs/dbraw/zinc/47/67/99/932476799.db2.gz CSWGYZKSHRCICV-UJUPCEQOSA-N -1 1 265.353 3.469 20 30 CGEDMM C/C(=N\[O-])c1ccccc1O[C@@H](C)c1cn(C)nc1C ZINC001229741554 932477491 /nfs/dbraw/zinc/47/74/91/932477491.db2.gz PRCZZANJTOCOES-OOIIIRTPSA-N -1 1 273.336 3.067 20 30 CGEDMM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(C)[n-]c(=O)c2OC)C1 ZINC001230021320 932524176 /nfs/dbraw/zinc/52/41/76/932524176.db2.gz MCDWGJLIQJSOTB-STQMWFEESA-N -1 1 290.363 3.179 20 30 CGEDMM Cc1c(C#N)cccc1NCc1ccc([O-])c(F)c1F ZINC001462073778 937616422 /nfs/dbraw/zinc/61/64/22/937616422.db2.gz CEUWEEKAHUFLMS-UHFFFAOYSA-N -1 1 274.270 3.463 20 30 CGEDMM CO[C@H](C(=O)N([O-])Cc1ccccc1Cl)C1CCCC1 ZINC001306894499 932891341 /nfs/dbraw/zinc/89/13/41/932891341.db2.gz MZIYLEACMSMFTI-AWEZNQCLSA-N -1 1 297.782 3.263 20 30 CGEDMM C=C(C)c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001472267718 937774660 /nfs/dbraw/zinc/77/46/60/937774660.db2.gz QKPSNVIUCLTPNK-UHFFFAOYSA-N -1 1 281.311 3.247 20 30 CGEDMM O=C([C@@H](F)Cc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001472623121 937778415 /nfs/dbraw/zinc/77/84/15/937778415.db2.gz WLMCYPNPZJRDIL-HNNXBMFYSA-N -1 1 291.297 3.124 20 30 CGEDMM CC#CC[C@@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001334070346 936083777 /nfs/dbraw/zinc/08/37/77/936083777.db2.gz SCDIKGIFUNPXQD-GFCCVEGCSA-N -1 1 279.405 3.002 20 30 CGEDMM C=C[C@H](N[C@H](C)c1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC001573346560 962940938 /nfs/dbraw/zinc/94/09/38/962940938.db2.gz CGPOGTCMOBVOEC-LDWIPMOCSA-N -1 1 292.137 3.422 20 30 CGEDMM N#C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001585193030 962997622 /nfs/dbraw/zinc/99/76/22/962997622.db2.gz IHZMEFLQWDEGTH-LDYMZIIASA-N -1 1 286.718 3.297 20 30 CGEDMM C=CCCC1(CNc2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001588578641 963286284 /nfs/dbraw/zinc/28/62/84/963286284.db2.gz DBDHIJWHSUPKHW-UHFFFAOYSA-N -1 1 298.394 3.200 20 30 CGEDMM C=CCCC1(CNc2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001588578641 963286296 /nfs/dbraw/zinc/28/62/96/963286296.db2.gz DBDHIJWHSUPKHW-UHFFFAOYSA-N -1 1 298.394 3.200 20 30 CGEDMM C=CCN(C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001588822807 963321827 /nfs/dbraw/zinc/32/18/27/963321827.db2.gz REFSCCQICLGBSP-UHFFFAOYSA-N -1 1 271.316 3.263 20 30 CGEDMM C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cc(C#N)cs1 ZINC001604181157 972607579 /nfs/dbraw/zinc/60/75/79/972607579.db2.gz IUYFQNYWSQFNCF-UHFFFAOYSA-N -1 1 292.385 3.011 20 30 CGEDMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cc(C#N)cs1 ZINC001604181157 972607582 /nfs/dbraw/zinc/60/75/82/972607582.db2.gz IUYFQNYWSQFNCF-UHFFFAOYSA-N -1 1 292.385 3.011 20 30 CGEDMM N#CCCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350614677 346523966 /nfs/dbraw/zinc/52/39/66/346523966.db2.gz WHJZFJBFTZGHJF-UHFFFAOYSA-N -1 1 275.283 3.208 20 30 CGEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccccc3)CCC2)c1 ZINC000589175177 346786676 /nfs/dbraw/zinc/78/66/76/346786676.db2.gz RSGYKHPGANWRNQ-UHFFFAOYSA-N -1 1 292.338 3.073 20 30 CGEDMM N#Cc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1[O-] ZINC000598153612 347633405 /nfs/dbraw/zinc/63/34/05/347633405.db2.gz PYIFCXAUSIKEOG-INIZCTEOSA-N -1 1 298.386 3.306 20 30 CGEDMM C[C@@H](c1cccs1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614296706 348665724 /nfs/dbraw/zinc/66/57/24/348665724.db2.gz NUDIGOKEOYMQCV-JTQLQIEISA-N -1 1 286.356 3.159 20 30 CGEDMM C=CCC[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000615223017 348725058 /nfs/dbraw/zinc/72/50/58/348725058.db2.gz WHVWKRXXQOANAF-ZDUSSCGKSA-N -1 1 285.347 3.112 20 30 CGEDMM C=CC[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000617776998 349007306 /nfs/dbraw/zinc/00/73/06/349007306.db2.gz GHBJHNNXRTYKPU-ZDUSSCGKSA-N -1 1 296.370 3.369 20 30 CGEDMM C[C@H](C#N)CN(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000436598714 372838433 /nfs/dbraw/zinc/83/84/33/372838433.db2.gz AHPOYYDEXIVXDA-GFCCVEGCSA-N -1 1 294.354 3.310 20 30 CGEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)cc1[O-] ZINC000442641861 373061048 /nfs/dbraw/zinc/06/10/48/373061048.db2.gz BBIDGQAYMDPCQT-OAHLLOKOSA-N -1 1 298.367 3.206 20 30 CGEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1[O-] ZINC000442893175 373122820 /nfs/dbraw/zinc/12/28/20/373122820.db2.gz AKUGWIKOJFVBED-DVOMOZLQSA-N -1 1 298.386 3.353 20 30 CGEDMM N#Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000188136394 375164908 /nfs/dbraw/zinc/16/49/08/375164908.db2.gz FBNJOMVACSIOIY-UHFFFAOYSA-N -1 1 283.356 3.224 20 30 CGEDMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188582369 375235999 /nfs/dbraw/zinc/23/59/99/375235999.db2.gz DDLJWGXGJBDFDZ-IUODEOHRSA-N -1 1 286.375 3.305 20 30 CGEDMM CCC(CC)CN(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190542154 375519106 /nfs/dbraw/zinc/51/91/06/375519106.db2.gz 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280.396 3.405 20 30 CGEDMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@@H](C#N)C1 ZINC001233648304 818668701 /nfs/dbraw/zinc/66/87/01/818668701.db2.gz QXOXIFXFIBFVNQ-DGCLKSJQSA-N -1 1 273.332 3.446 20 30 CGEDMM COc1cc(/C=N/[O-])ccc1O[C@@H](C(C)C)C(F)(F)F ZINC001233801421 818707030 /nfs/dbraw/zinc/70/70/30/818707030.db2.gz ZOBBZNKFOBFUBY-SMWBLXLWSA-N -1 1 291.269 3.469 20 30 CGEDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)CC(C)(C)S ZINC001234475620 818864715 /nfs/dbraw/zinc/86/47/15/818864715.db2.gz GWVUTWKKJVRYSH-MRVPVSSYSA-N -1 1 284.377 3.166 20 30 CGEDMM Cc1ccc([C@H](C)Oc2ccccc2C=N[O-])cn1 ZINC001234819729 818926876 /nfs/dbraw/zinc/92/68/76/818926876.db2.gz OJKQPKWUFDUWAE-LBPRGKRZSA-N -1 1 256.305 3.338 20 30 CGEDMM [O-]/N=C/c1ccc(F)c(-c2ccncc2Cl)c1 ZINC001243389304 823387515 /nfs/dbraw/zinc/38/75/15/823387515.db2.gz ZSFPJNPMLHBIFA-OMCISZLKSA-N -1 1 250.660 3.349 20 30 CGEDMM CSc1nc(C)c(C#N)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898989 819208905 /nfs/dbraw/zinc/20/89/05/819208905.db2.gz 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/nfs/dbraw/zinc/03/37/37/823033737.db2.gz GTVQJNIDFQZAND-UHFFFAOYSA-N -1 1 279.324 3.449 20 30 CGEDMM N#Cc1cc(-c2ncnc3c(F)c(F)ccc32)ccc1[O-] ZINC001242564155 823034283 /nfs/dbraw/zinc/03/42/83/823034283.db2.gz QVDNGEGNILTWCY-UHFFFAOYSA-N -1 1 283.237 3.152 20 30 CGEDMM COC(OC)c1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242564041 823034519 /nfs/dbraw/zinc/03/45/19/823034519.db2.gz PQHKFMCWLFLNNC-UHFFFAOYSA-N -1 1 269.300 3.222 20 30 CGEDMM COC(=O)Nc1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242564924 823035596 /nfs/dbraw/zinc/03/55/96/823035596.db2.gz BIKRKJIKUPHECP-UHFFFAOYSA-N -1 1 268.272 3.109 20 30 CGEDMM COc1c(F)c(F)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242566247 823037002 /nfs/dbraw/zinc/03/70/02/823037002.db2.gz PGEWTQSCHULDCF-UHFFFAOYSA-N -1 1 261.227 3.218 20 30 CGEDMM O=C(C=Cc1ccccc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000072673280 928247334 /nfs/dbraw/zinc/24/73/34/928247334.db2.gz CSMKPHVMVBWVMO-VOTSOKGWSA-N -1 1 282.225 3.125 20 30 CGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCCCC1 ZINC001447501611 937368920 /nfs/dbraw/zinc/36/89/20/937368920.db2.gz BAFQUMQPQKLKKZ-GFCCVEGCSA-N -1 1 286.375 3.353 20 30 CGEDMM C=CCCC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001453350849 937402103 /nfs/dbraw/zinc/40/21/03/937402103.db2.gz YUMMWGBXDXXORN-UHFFFAOYSA-N -1 1 274.364 3.044 20 30 CGEDMM N#Cc1cccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001216412968 932019059 /nfs/dbraw/zinc/01/90/59/932019059.db2.gz CFSVURLCUMUTNA-UHFFFAOYSA-N -1 1 263.659 3.195 20 30 CGEDMM C#C[C@H](CCCCC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395721 932145174 /nfs/dbraw/zinc/14/51/74/932145174.db2.gz KGKXKUHLNSZRNU-GFCCVEGCSA-N -1 1 263.293 3.261 20 30 CGEDMM C#C[C@@H](Oc1ccccc1/C(C)=N/[O-])c1ccncc1 ZINC001229737955 932478059 /nfs/dbraw/zinc/47/80/59/932478059.db2.gz GFZWKEQPMJTWAT-GYZOOYGHSA-N -1 1 266.300 3.033 20 30 CGEDMM C=C[C@H](C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229803406 932486073 /nfs/dbraw/zinc/48/60/73/932486073.db2.gz PJSAZCMRDRGIEI-VIFPVBQESA-N -1 1 298.294 3.311 20 30 CGEDMM C#C[C@@H](CC)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 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Cc1cc(C#N)cc(NCc2ccc([O-])c(Cl)c2)n1 ZINC001559272419 938224091 /nfs/dbraw/zinc/22/40/91/938224091.db2.gz XVGOUKOXYHISMI-UHFFFAOYSA-N -1 1 273.723 3.233 20 30 CGEDMM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(F)c1 ZINC001567234655 961147019 /nfs/dbraw/zinc/14/70/19/961147019.db2.gz MHAGHLYCAIMHJW-UHFFFAOYSA-N -1 1 290.681 3.309 20 30 CGEDMM C#C[C@H](C)N(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001588368826 963266729 /nfs/dbraw/zinc/26/67/29/963266729.db2.gz SWIYHHUWTMFTLK-LBPRGKRZSA-N -1 1 283.327 3.098 20 30 CGEDMM C=CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC001588829182 963319187 /nfs/dbraw/zinc/31/91/87/963319187.db2.gz HIUIHBUTEONOBC-UHFFFAOYSA-N -1 1 292.335 3.080 20 30 CGEDMM C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(C(=O)[O-])co1 ZINC001593233729 994395226 /nfs/dbraw/zinc/39/52/26/994395226.db2.gz SWPBDSIHLVXIKD-ZUZCIYMTSA-N -1 1 296.326 3.188 20 30 CGEDMM CC(C)[C@@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC12CCCC2 ZINC000590890069 346884608 /nfs/dbraw/zinc/88/46/08/346884608.db2.gz 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CC(C)(C)c1noc([N-]c2ccc(F)cn2)c1C#N ZINC001175848957 809555853 /nfs/dbraw/zinc/55/58/53/809555853.db2.gz XDHJFKDCKVRYOJ-UHFFFAOYSA-N -1 1 260.272 3.121 20 30 CGEDMM N#CC[C@@H](CC(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001303332932 809608260 /nfs/dbraw/zinc/60/82/60/809608260.db2.gz BYPIGWNVLNDMLC-AWEZNQCLSA-N -1 1 298.317 3.323 20 30 CGEDMM N#Cc1ccc(NC(=O)Cc2cc3ccccc3o2)c([O-])c1 ZINC001181101527 810037329 /nfs/dbraw/zinc/03/73/29/810037329.db2.gz YUURJGVHZZEQDA-UHFFFAOYSA-N -1 1 292.294 3.191 20 30 CGEDMM CCCCCCCCC[N-]S(=O)(=O)c1ccns1 ZINC001184928060 810223480 /nfs/dbraw/zinc/22/34/80/810223480.db2.gz LXVYTQCBCPWHNX-UHFFFAOYSA-N -1 1 290.454 3.172 20 30 CGEDMM Cc1ccc(F)c(NC(=O)Nc2c([O-])cccc2C#N)c1 ZINC001185262463 810249490 /nfs/dbraw/zinc/24/94/90/810249490.db2.gz MRZOMQQVVDLYKJ-UHFFFAOYSA-N -1 1 285.278 3.355 20 30 CGEDMM Cc1c(Cl)cc(Nc2ccncc2C#N)c([O-])c1Cl ZINC001214016120 815356485 /nfs/dbraw/zinc/35/64/85/815356485.db2.gz AYVBVVFGIZDFBF-UHFFFAOYSA-N -1 1 294.141 3.440 20 30 CGEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccc2c(c1)CCC2 ZINC001185736807 810289980 /nfs/dbraw/zinc/28/99/80/810289980.db2.gz RGPATVSLFIYSLU-UHFFFAOYSA-N -1 1 299.355 3.458 20 30 CGEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC001187992625 810439948 /nfs/dbraw/zinc/43/99/48/810439948.db2.gz QPYKRTCMAPYFSS-UHFFFAOYSA-N -1 1 284.425 3.492 20 30 CGEDMM Cc1c(F)cccc1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001189054909 810539312 /nfs/dbraw/zinc/53/93/12/810539312.db2.gz YHCWRBPJUGKBBO-UHFFFAOYSA-N -1 1 285.278 3.355 20 30 CGEDMM CCCC[C@H](C)NC(=O)Nc1scc([O-])c1C#N ZINC001193030839 810846126 /nfs/dbraw/zinc/84/61/26/810846126.db2.gz XZVLFIRTUNQBOL-QMMMGPOBSA-N -1 1 267.354 3.026 20 30 CGEDMM Cc1coc([N-]C(=O)c2nccc(Cl)c2Cl)c1C#N ZINC001195450245 811255883 /nfs/dbraw/zinc/25/58/83/811255883.db2.gz QPIHXPJWZIEJMQ-UHFFFAOYSA-N -1 1 296.113 3.414 20 30 CGEDMM Cc1coc(C(=O)[N-]c2c(C#N)cccc2C(F)(F)F)n1 ZINC001195759431 811287694 /nfs/dbraw/zinc/28/76/94/811287694.db2.gz BDCYAMBUNFXFOG-UHFFFAOYSA-N -1 1 295.220 3.126 20 30 CGEDMM N#Cc1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201223226 811798768 /nfs/dbraw/zinc/79/87/68/811798768.db2.gz YNSUBHQBPJJWPF-UHFFFAOYSA-N -1 1 291.213 3.194 20 30 CGEDMM N#Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1F ZINC001201221859 811799220 /nfs/dbraw/zinc/79/92/20/811799220.db2.gz IYSLWPYTBSJVIF-UHFFFAOYSA-N -1 1 273.223 3.055 20 30 CGEDMM N#Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1F ZINC001201223998 811801756 /nfs/dbraw/zinc/80/17/56/811801756.db2.gz HAYMZLPQLVBWLB-UHFFFAOYSA-N -1 1 291.213 3.194 20 30 CGEDMM Cc1cccc(NC(=O)Nc2scc([O-])c2C#N)c1 ZINC001202306222 812060317 /nfs/dbraw/zinc/06/03/17/812060317.db2.gz BEFDBYYYZGZTMY-UHFFFAOYSA-N -1 1 273.317 3.278 20 30 CGEDMM C=CCNC(=O)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001202570417 812125142 /nfs/dbraw/zinc/12/51/42/812125142.db2.gz ZDTAMEUHWGKLAV-UHFFFAOYSA-N -1 1 261.108 3.007 20 30 CGEDMM N#Cc1c([O-])csc1NC(=O)Nc1cc(F)ccc1F ZINC001202646476 812146388 /nfs/dbraw/zinc/14/63/88/812146388.db2.gz ZXGSUJJMKUXNGR-UHFFFAOYSA-N -1 1 295.270 3.248 20 30 CGEDMM N#Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001204061818 812538074 /nfs/dbraw/zinc/53/80/74/812538074.db2.gz AUDGCVFXOXXPCY-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM COc1cccc(Nc2ccc(F)c(F)c2[O-])c1C#N ZINC001210126915 814301712 /nfs/dbraw/zinc/30/17/12/814301712.db2.gz MUANHFPDEPLUAT-UHFFFAOYSA-N -1 1 276.242 3.294 20 30 CGEDMM [O-]N=Cc1ccccc1-c1ccnc(OC2CC2)c1 ZINC001242726461 823114374 /nfs/dbraw/zinc/11/43/74/823114374.db2.gz OLGGJYCGNYGYJI-UHFFFAOYSA-N -1 1 254.289 3.098 20 30 CGEDMM CNc1ccc(C#N)cc1Nc1cccc(F)c1[O-] ZINC001210200006 814335781 /nfs/dbraw/zinc/33/57/81/814335781.db2.gz SRMMLMGHHFKIFS-UHFFFAOYSA-N -1 1 257.268 3.188 20 30 CGEDMM Cc1cc(Nc2cccc([O-])c2Cl)cnc1C#N ZINC001210209649 814341812 /nfs/dbraw/zinc/34/18/12/814341812.db2.gz VVFUMGRRCQPRQF-UHFFFAOYSA-N -1 1 259.696 3.364 20 30 CGEDMM CC(C)n1ncc(C#N)c1Nc1cccc(Cl)c1[O-] ZINC001210218991 814347217 /nfs/dbraw/zinc/34/72/17/814347217.db2.gz NLPLZIHMWYICIE-UHFFFAOYSA-N -1 1 276.727 3.438 20 30 CGEDMM N#Cc1ccc(Nc2cccc([O-])c2Cl)c(O)c1 ZINC001210860286 814654806 /nfs/dbraw/zinc/65/48/06/814654806.db2.gz UZYLWVUIRXXTMK-UHFFFAOYSA-N -1 1 260.680 3.366 20 30 CGEDMM N#Cc1cnc2ccc(-c3cccc([O-])c3Cl)cn12 ZINC001242803288 823138271 /nfs/dbraw/zinc/13/82/71/823138271.db2.gz YNFKWWZQQPESPK-UHFFFAOYSA-N -1 1 269.691 3.232 20 30 CGEDMM Cc1cc(Nc2ccc(C#N)c(C#N)c2)cc([O-])c1F ZINC001216082031 815685779 /nfs/dbraw/zinc/68/57/79/815685779.db2.gz JVRZIZAOPSEHDU-UHFFFAOYSA-N -1 1 267.263 3.327 20 30 CGEDMM C#C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)C(C)C ZINC001223593811 816655728 /nfs/dbraw/zinc/65/57/28/816655728.db2.gz OOLQOPLCIGPJQC-AHAXBBEGSA-N -1 1 251.713 3.150 20 30 CGEDMM CC[C@@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223884691 816696385 /nfs/dbraw/zinc/69/63/85/816696385.db2.gz PQOCWEDJOKVANO-KXVPCBDSSA-N -1 1 272.142 3.400 20 30 CGEDMM CCCCCCCC[C@@H](C)OCC[P@](=O)([O-])O ZINC001224600926 816831383 /nfs/dbraw/zinc/83/13/83/816831383.db2.gz BWMWTFXAMGSKMN-GFCCVEGCSA-N -1 1 266.318 3.320 20 30 CGEDMM CC(=O)c1ccc([O-])cc1O[C@H](C)CC(C)(C)S ZINC001225619331 817115694 /nfs/dbraw/zinc/11/56/94/817115694.db2.gz TUYLFAIJQLOQFW-SECBINFHSA-N -1 1 268.378 3.461 20 30 CGEDMM C#C[C@@H](CCCCC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674069 817137238 /nfs/dbraw/zinc/13/72/38/817137238.db2.gz BHHWZABTZQAPCN-ZDUSSCGKSA-N -1 1 276.332 3.261 20 30 CGEDMM C[C@@H](C#C[Si](C)(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226114037 817275189 /nfs/dbraw/zinc/27/51/89/817275189.db2.gz DACAOQHFUDZDNU-YGRGUWMTSA-N -1 1 261.397 3.143 20 30 CGEDMM [O-]/N=C/c1cccc(O[C@@H]2CCCc3cccnc32)c1 ZINC001226109338 817275808 /nfs/dbraw/zinc/27/58/08/817275808.db2.gz FFJJZJVEXLLRQF-CLXYIWAZSA-N -1 1 268.316 3.346 20 30 CGEDMM CC/C=C\CCOC(=O)[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114267 817277132 /nfs/dbraw/zinc/27/71/32/817277132.db2.gz IGPOKJVPRJXTEM-RKACMQLQSA-N -1 1 291.347 3.162 20 30 CGEDMM C=C[C@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1 ZINC001226246988 817309868 /nfs/dbraw/zinc/30/98/68/817309868.db2.gz UGIGMEZTBGXLLV-NSHDSACASA-N -1 1 274.345 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CC(C)Cn1nccc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000843270353 635629897 /nfs/dbraw/zinc/62/98/97/635629897.db2.gz ZGUVPRASFQMHRG-MDWZMJQESA-N -1 1 282.343 3.067 20 30 CGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2C(C)C)c(=O)o1 ZINC000848639532 636626157 /nfs/dbraw/zinc/62/61/57/636626157.db2.gz VTTFGVIQOIDKTB-KBOKABMXSA-N -1 1 298.338 3.038 20 30 CGEDMM COc1cccc(OC)c1/C=C\C(=O)c1ccc([O-])cc1 ZINC000200768344 639129431 /nfs/dbraw/zinc/12/94/31/639129431.db2.gz HHQYLKHIPILVIQ-KHPPLWFESA-N -1 1 284.311 3.306 20 30 CGEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1C ZINC000193141788 640435913 /nfs/dbraw/zinc/43/59/13/640435913.db2.gz YEQBRODLESDVNN-FNORWQNLSA-N -1 1 284.311 3.311 20 30 CGEDMM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001251141334 805855390 /nfs/dbraw/zinc/85/53/90/805855390.db2.gz JFLXGJALZFODBW-GFCCVEGCSA-N -1 1 286.356 3.114 20 30 CGEDMM Cc1cc2nc(-c3cc(C#N)ccc3[O-])[nH]c2cc1F ZINC001251180152 805860198 /nfs/dbraw/zinc/86/01/98/805860198.db2.gz FWXDBKSEUSQEHS-UHFFFAOYSA-N -1 1 267.263 3.255 20 30 CGEDMM CC(C)S(=O)(=O)[N-]c1c(Cl)cc(Cl)cc1C#N ZINC001252513893 806052216 /nfs/dbraw/zinc/05/22/16/806052216.db2.gz PNSPAYFPTVEHMD-UHFFFAOYSA-N -1 1 293.175 3.015 20 30 CGEDMM CCO[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C(C)C ZINC001161807623 806458975 /nfs/dbraw/zinc/45/89/75/806458975.db2.gz LUUXTFKTWVCASY-CYBMUJFWSA-N -1 1 285.771 3.119 20 30 CGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1c(F)cccc1F ZINC000588534971 799707031 /nfs/dbraw/zinc/70/70/31/799707031.db2.gz FUHAIQIZGJHDGB-NTMALXAHSA-N -1 1 272.250 3.493 20 30 CGEDMM C=CCS(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000711162353 800048420 /nfs/dbraw/zinc/04/84/20/800048420.db2.gz LFQKUPMLKPNMBW-UHFFFAOYSA-N -1 1 289.356 3.407 20 30 CGEDMM CCCCCCC[C@H](CCC)[NH2+]CCP(=O)([O-])[O-] ZINC001172502126 808358170 /nfs/dbraw/zinc/35/81/70/808358170.db2.gz OHLOYCVETNURFH-ZDUSSCGKSA-N -1 1 279.361 3.283 20 30 CGEDMM N#Cc1cc(C#N)cc(-c2c([O-])cccc2Cl)c1 ZINC001244046725 803159294 /nfs/dbraw/zinc/15/92/94/803159294.db2.gz DNCCEQIXPFDVIV-UHFFFAOYSA-N -1 1 254.676 3.456 20 30 CGEDMM N#Cc1cnc2ccc(-c3c(Cl)ccc([O-])c3F)cn12 ZINC001244541817 803429899 /nfs/dbraw/zinc/42/98/99/803429899.db2.gz FXBZUURKEISDFP-UHFFFAOYSA-N -1 1 287.681 3.371 20 30 CGEDMM Cc1cc(-c2cnc(F)c(C#N)c2)cc(Cl)c1[O-] ZINC001244548171 803432678 /nfs/dbraw/zinc/43/26/78/803432678.db2.gz VJUAHGYKXLKXGP-UHFFFAOYSA-N -1 1 262.671 3.427 20 30 CGEDMM Cc1cc(C#N)cc(C#N)c1Nc1ccc([O-])c(F)c1F ZINC001212011113 814967280 /nfs/dbraw/zinc/96/72/80/814967280.db2.gz SJVNQRWQFMTARY-UHFFFAOYSA-N -1 1 285.253 3.466 20 30 CGEDMM N#Cc1ccc(NC(=S)Nc2ccc(F)c([O-])c2)cc1 ZINC001245913374 804041976 /nfs/dbraw/zinc/04/19/76/804041976.db2.gz FAGJJBRKEXQIQW-UHFFFAOYSA-N -1 1 287.319 3.212 20 30 CGEDMM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c([O-])c1 ZINC001148428474 805182107 /nfs/dbraw/zinc/18/21/07/805182107.db2.gz WIQXXHJGUJUWBS-UHFFFAOYSA-N -1 1 290.681 3.309 20 30 CGEDMM N#Cc1ncccc1Nc1cc(Cl)c([O-])cc1F ZINC001250020090 805369291 /nfs/dbraw/zinc/36/92/91/805369291.db2.gz DABLAAYIMXZJJA-UHFFFAOYSA-N -1 1 263.659 3.195 20 30 CGEDMM N#Cc1ccncc1Nc1cc(Cl)c([O-])cc1F ZINC001250020788 805371032 /nfs/dbraw/zinc/37/10/32/805371032.db2.gz RHUZJDATROLCTJ-UHFFFAOYSA-N -1 1 263.659 3.195 20 30 CGEDMM [O-]/N=C/c1cccc(NCC(F)(F)c2ccccn2)c1 ZINC001170910054 807931173 /nfs/dbraw/zinc/93/11/73/807931173.db2.gz XYAOENAJDFUYSF-DJKKODMXSA-N -1 1 277.274 3.094 20 30 CGEDMM N#Cc1c[nH]c2cc(NC(=O)c3ccc([O-])cc3F)ccc12 ZINC001186328470 810329538 /nfs/dbraw/zinc/32/95/38/810329538.db2.gz CXVFEWFTNDGHQU-UHFFFAOYSA-N -1 1 295.273 3.137 20 30 CGEDMM COc1ccccc1NC(=S)Nc1ccc(C#N)cc1[O-] ZINC001196256686 811327780 /nfs/dbraw/zinc/32/77/80/811327780.db2.gz YTDBQVRSZAKYGQ-UHFFFAOYSA-N -1 1 299.355 3.081 20 30 CGEDMM C[C@@H]1CCN1C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309085 811333101 /nfs/dbraw/zinc/33/31/01/811333101.db2.gz LGEWXIPIJZSVMW-GFCCVEGCSA-N -1 1 292.338 3.165 20 30 CGEDMM N#Cc1cccc([O-])c1NC(=S)Nc1ccc(F)cc1 ZINC001196947688 811385730 /nfs/dbraw/zinc/38/57/30/811385730.db2.gz ASWMZUFJJCDECG-UHFFFAOYSA-N -1 1 287.319 3.212 20 30 CGEDMM N#Cc1c([O-])csc1NC(=S)NCC1CCCCC1 ZINC001199917741 811611953 /nfs/dbraw/zinc/61/19/53/811611953.db2.gz IPJMULJUKLQXNS-UHFFFAOYSA-N -1 1 295.433 3.192 20 30 CGEDMM N#Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001201221888 811799089 /nfs/dbraw/zinc/79/90/89/811799089.db2.gz JFPZRKPXLFLFSB-UHFFFAOYSA-N -1 1 273.223 3.055 20 30 CGEDMM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1C#N ZINC001201224170 811800289 /nfs/dbraw/zinc/80/02/89/811800289.db2.gz KAEJFYMQWPRIQT-UHFFFAOYSA-N -1 1 269.260 3.224 20 30 CGEDMM Cc1cc(C#N)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229528 811801400 /nfs/dbraw/zinc/80/14/00/811801400.db2.gz OQFZJJPBEOBHHI-UHFFFAOYSA-N -1 1 287.250 3.363 20 30 CGEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccc(F)cc1 ZINC001202356805 812072726 /nfs/dbraw/zinc/07/27/26/812072726.db2.gz CLSBJYSKCRIWBR-UHFFFAOYSA-N -1 1 271.251 3.047 20 30 CGEDMM N#Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1F ZINC001204062221 812537766 /nfs/dbraw/zinc/53/77/66/812537766.db2.gz LQMULDCPDSLPCQ-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM Cc1nnc(-c2ccc([O-])cc2C(F)(F)F)c(C#N)c1C ZINC001205065998 812844652 /nfs/dbraw/zinc/84/46/52/812844652.db2.gz BRZONQPALVUGSJ-UHFFFAOYSA-N -1 1 293.248 3.357 20 30 CGEDMM COc1ccc(C(C)=O)cc1Nc1cc(C#N)ccc1[O-] ZINC001210079544 814278231 /nfs/dbraw/zinc/27/82/31/814278231.db2.gz QRELDJKFLWJYFJ-UHFFFAOYSA-N -1 1 282.299 3.219 20 30 CGEDMM N#Cc1cccc(O)c1Nc1cccc(Cl)c1[O-] ZINC001210222872 814350764 /nfs/dbraw/zinc/35/07/64/814350764.db2.gz BWNBQDVCVPZVMS-UHFFFAOYSA-N -1 1 260.680 3.366 20 30 CGEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1CCC(O)CC1 ZINC001218367340 816181161 /nfs/dbraw/zinc/18/11/61/816181161.db2.gz WVLGQGQFWVWQDY-UHFFFAOYSA-N -1 1 290.359 3.006 20 30 CGEDMM C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ccccn1 ZINC001223890398 816697063 /nfs/dbraw/zinc/69/70/63/816697063.db2.gz SHLSAEWWDIJQFE-DLXMGQPRSA-N -1 1 278.258 3.273 20 30 CGEDMM [O-]/N=C(\O[C@@H]1CCc2c1cc(F)cc2F)c1ccccn1 ZINC001223976184 816712927 /nfs/dbraw/zinc/71/29/27/816712927.db2.gz NSWIJGCOEFLGDO-FJAMSSDQSA-N -1 1 290.269 3.200 20 30 CGEDMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccccc1C#N ZINC001225675185 817137040 /nfs/dbraw/zinc/13/70/40/817137040.db2.gz SADXTWXULVDQLZ-LLVKDONJSA-N -1 1 297.310 3.312 20 30 CGEDMM C[C@H](Oc1cccc(/C=N/[O-])c1)c1ccncc1F ZINC001226116043 817277479 /nfs/dbraw/zinc/27/74/79/817277479.db2.gz MQNVVHLTIKBYON-JVDJPWEPSA-N -1 1 260.268 3.169 20 30 CGEDMM C[Si](C)(C)C#C[C@@H](Oc1cnc[n-]c1=O)c1ccccc1 ZINC001227048885 817543096 /nfs/dbraw/zinc/54/30/96/817543096.db2.gz NHHHGBUNVFJWTD-CQSZACIVSA-N -1 1 298.418 3.183 20 30 CGEDMM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=S)ncc2F)O1 ZINC001227383511 817636517 /nfs/dbraw/zinc/63/65/17/817636517.db2.gz OFRQIZIEKBBEBX-IINYFYTJSA-N -1 1 298.383 3.186 20 30 CGEDMM C[C@H]1C[C@H](Oc2ccc([O-])c(C#N)c2C#N)C[C@@H](C)C1 ZINC001227618471 817684520 /nfs/dbraw/zinc/68/45/20/817684520.db2.gz LJEDVPFSWMWCIK-GDNZZTSVSA-N -1 1 270.332 3.339 20 30 CGEDMM N#CC[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1 ZINC001227617325 817684674 /nfs/dbraw/zinc/68/46/74/817684674.db2.gz COVJFXSYXIGKIQ-INIZCTEOSA-N -1 1 289.294 3.169 20 30 CGEDMM C=C(C)C[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)C(=C)C ZINC001227715907 817702599 /nfs/dbraw/zinc/70/25/99/817702599.db2.gz IFZPXHGZGBWQLS-JQWIXIFHSA-N -1 1 276.336 3.063 20 30 CGEDMM Cc1ccccc1OC[C@@H](C)Oc1cc([O-])ccc1C#N ZINC001228006455 817781489 /nfs/dbraw/zinc/78/14/89/817781489.db2.gz CABVILRRPFAJKV-CYBMUJFWSA-N -1 1 283.327 3.419 20 30 CGEDMM C[C@H](Cc1ccccc1)Oc1cc([O-])ccc1C#N ZINC001228007118 817782871 /nfs/dbraw/zinc/78/28/71/817782871.db2.gz MZYKYTNBTRVXOO-GFCCVEGCSA-N -1 1 253.301 3.274 20 30 CGEDMM CC#C[C@H](CC)Oc1cccnc1-c1ncccc1[O-] ZINC001231204210 818058478 /nfs/dbraw/zinc/05/84/78/818058478.db2.gz OVUYTENLBULJKT-LBPRGKRZSA-N -1 1 268.316 3.030 20 30 CGEDMM CCCN(CCC#N)Cc1ccc(Cl)c([O-])c1 ZINC001231734327 818163225 /nfs/dbraw/zinc/16/32/25/818163225.db2.gz VTXIOVWJHPBENF-UHFFFAOYSA-N -1 1 252.745 3.171 20 30 CGEDMM N#CCN(Cc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232937955 818477731 /nfs/dbraw/zinc/47/77/31/818477731.db2.gz XEDDVLJRMLFBSN-UHFFFAOYSA-N -1 1 288.297 3.196 20 30 CGEDMM N#Cc1ccc(CN2CCCC[C@@H]2C(F)(F)F)c([O-])c1 ZINC001233386081 818606086 /nfs/dbraw/zinc/60/60/86/818606086.db2.gz FNDSMVDNMPJOQV-CYBMUJFWSA-N -1 1 284.281 3.181 20 30 CGEDMM N#CCCN(CCC#N)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419466 818615888 /nfs/dbraw/zinc/61/58/88/818615888.db2.gz YLPZJVWWMRMVDJ-UHFFFAOYSA-N -1 1 297.280 3.040 20 30 CGEDMM [O-]N=Cc1ccccc1O[C@H]1CCCc2cccnc21 ZINC001234821999 818926645 /nfs/dbraw/zinc/92/66/45/818926645.db2.gz JGAJCAUIHXHEFG-HNNXBMFYSA-N -1 1 268.316 3.346 20 30 CGEDMM N#CC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793663 819598222 /nfs/dbraw/zinc/59/82/22/819598222.db2.gz NFXOPKLHPFRYDP-UHFFFAOYSA-N -1 1 285.174 3.435 20 30 CGEDMM COc1ccc(-c2ccc(Cl)c([O-])c2)nc1CC#N ZINC001243579953 823453633 /nfs/dbraw/zinc/45/36/33/823453633.db2.gz YGLZSNNNUZPUIZ-UHFFFAOYSA-N -1 1 274.707 3.182 20 30 CGEDMM [O-]/N=C/c1ccc(F)c(-c2ccc3c(c2)OCCO3)c1 ZINC001239604902 820451447 /nfs/dbraw/zinc/45/14/47/820451447.db2.gz SLDFEFLJOUPPLX-RQZCQDPDSA-N -1 1 273.263 3.072 20 30 CGEDMM CC(=O)Nc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1F ZINC001243665883 823480028 /nfs/dbraw/zinc/48/00/28/823480028.db2.gz JJMTTYKKTCHMLA-QGMBQPNBSA-N -1 1 290.269 3.398 20 30 CGEDMM Cc1c(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cnn1C ZINC001240383534 821008050 /nfs/dbraw/zinc/00/80/50/821008050.db2.gz ILFXBCADCGRMTB-NGYBGAFCSA-N -1 1 283.253 3.222 20 30 CGEDMM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(C)cc1[O-] ZINC001241027482 821501954 /nfs/dbraw/zinc/50/19/54/821501954.db2.gz AQSWKMAFRNLTRX-UHFFFAOYSA-N -1 1 296.326 3.119 20 30 CGEDMM N#Cc1ccc2c(c1)ncnc2-c1c(F)ccc([O-])c1F ZINC001241291500 821707926 /nfs/dbraw/zinc/70/79/26/821707926.db2.gz NXJAWMLTKFUZIR-UHFFFAOYSA-N -1 1 283.237 3.152 20 30 CGEDMM C[S@](=O)c1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001241342592 821747414 /nfs/dbraw/zinc/74/74/14/821747414.db2.gz OOFDMTZBDWAAPV-HVRVZBDQSA-N -1 1 277.320 3.038 20 30 CGEDMM C[S@@](=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001241487438 821888265 /nfs/dbraw/zinc/88/82/65/821888265.db2.gz UIVKLPSJNXOTIN-SCFJZMLDSA-N -1 1 277.320 3.038 20 30 CGEDMM COc1c(C#N)c(F)ccc1-c1ccc(F)cc1[O-] ZINC001242219703 822916167 /nfs/dbraw/zinc/91/61/67/822916167.db2.gz MFVHVRRTCFRHGS-UHFFFAOYSA-N -1 1 261.227 3.218 20 30 CGEDMM Cc1cc(-c2ccc([O-])c(C#N)c2)nc(C(C)(C)C)n1 ZINC001242562817 823033752 /nfs/dbraw/zinc/03/37/52/823033752.db2.gz IYJUSBXAVJLOJS-UHFFFAOYSA-N -1 1 267.332 3.327 20 30 CGEDMM CCCN(CCC)c1cc(-c2ccc([O-])c(C#N)c2)ncn1 ZINC001242564393 823034470 /nfs/dbraw/zinc/03/44/70/823034470.db2.gz XQUCDHLLEZTZJZ-UHFFFAOYSA-N -1 1 296.374 3.347 20 30 CGEDMM N#Cc1cc2cc(-c3ccc([O-])c(C#N)c3)ccc2[nH]1 ZINC001242565206 823035067 /nfs/dbraw/zinc/03/50/67/823035067.db2.gz QTISMMSLOBMEOM-UHFFFAOYSA-N -1 1 259.268 3.284 20 30 CGEDMM COC(=O)c1cc(-c2ccc([O-])c(C#N)c2)cc2[nH]ccc21 ZINC001242564746 823035397 /nfs/dbraw/zinc/03/53/97/823035397.db2.gz 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/nfs/dbraw/zinc/87/26/25/936872625.db2.gz ASJUPLQOIUCCTH-JTQLQIEISA-N -1 1 289.697 3.068 20 30 CGEDMM C=C(CC)C(=O)Nc1cccc([O-])c1Br ZINC001468253349 928807268 /nfs/dbraw/zinc/80/72/68/928807268.db2.gz ABPOGZOEOFJUCI-UHFFFAOYSA-N -1 1 270.126 3.059 20 30 CGEDMM N#C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC001229398832 932144544 /nfs/dbraw/zinc/14/45/44/932144544.db2.gz BMCBRBXVVFSZHO-CQSZACIVSA-N -1 1 288.234 3.083 20 30 CGEDMM C[C@H](CC(C)(C)S)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229400196 932145058 /nfs/dbraw/zinc/14/50/58/932145058.db2.gz SHYWVVWTIGSAPL-MRVPVSSYSA-N -1 1 271.338 3.166 20 30 CGEDMM C/C(=N\[O-])c1ccccc1OC[C@@H]1COc2ccccc2O1 ZINC001229736919 932477691 /nfs/dbraw/zinc/47/76/91/932477691.db2.gz LLZGDKLJMPORCG-RNEAKCBISA-N -1 1 299.326 3.104 20 30 CGEDMM C=CCCCCCC[C@@H](C)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282474 932551099 /nfs/dbraw/zinc/55/10/99/932551099.db2.gz WANPYEWVJKYVQY-GFCCVEGCSA-N -1 1 280.368 3.490 20 30 CGEDMM CCC#C[C@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231050399 932665861 /nfs/dbraw/zinc/66/58/61/932665861.db2.gz SLUBEZYBYWDTEV-ZETCQYMHSA-N -1 1 284.146 3.445 20 30 CGEDMM CCC#C[C@H](C)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231050399 932665862 /nfs/dbraw/zinc/66/58/62/932665862.db2.gz SLUBEZYBYWDTEV-ZETCQYMHSA-N -1 1 284.146 3.445 20 30 CGEDMM C#CCN(Cc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001308753645 933170567 /nfs/dbraw/zinc/17/05/67/933170567.db2.gz CRIRKULQDBMQRY-UHFFFAOYSA-N -1 1 287.309 3.306 20 30 CGEDMM Cc1ncc(C(C)N=Nc2cccc(F)c2C(=O)[O-])s1 ZINC001602992398 960552331 /nfs/dbraw/zinc/55/23/31/960552331.db2.gz YBCPTUQKBJONQT-UHFFFAOYSA-N -1 1 293.323 3.125 20 30 CGEDMM CC(NNc1ccc(C(=O)[O-])c(Cl)c1)=C1CC1(F)F ZINC001589017092 963342554 /nfs/dbraw/zinc/34/25/54/963342554.db2.gz XDGDONAWGUKAKJ-VIFPVBQESA-N -1 1 288.681 3.481 20 30 CGEDMM N#Cc1[n-]c(=NC2CCCCCC2)sc1Cl ZINC000590569844 346851719 /nfs/dbraw/zinc/85/17/19/346851719.db2.gz QFQWHRXTMYDTFB-UHFFFAOYSA-N -1 1 255.774 3.225 20 30 CGEDMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000591103802 346901447 /nfs/dbraw/zinc/90/14/47/346901447.db2.gz UXALYRAWNUBPMY-LSDHHAIUSA-N -1 1 286.375 3.208 20 30 CGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](C2CCC2)C2CCCC2)c1 ZINC000592834491 347018639 /nfs/dbraw/zinc/01/86/39/347018639.db2.gz QPIJXAZTPNMNOJ-KRWDZBQOSA-N -1 1 298.386 3.353 20 30 CGEDMM N#CCCCOc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000055568355 345152516 /nfs/dbraw/zinc/15/25/16/345152516.db2.gz DUPFMPYGGJTOCF-UHFFFAOYSA-N -1 1 296.326 3.327 20 30 CGEDMM CC(C)c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168022 346786109 /nfs/dbraw/zinc/78/61/09/346786109.db2.gz SCFNQPPVNYOSLH-UHFFFAOYSA-N -1 1 294.354 3.317 20 30 CGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3ncsc3c2)c1 ZINC000589169748 346786220 /nfs/dbraw/zinc/78/62/20/346786220.db2.gz QSVZMOLYLIKKID-UHFFFAOYSA-N -1 1 295.323 3.126 20 30 CGEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000589195924 346789044 /nfs/dbraw/zinc/78/90/44/346789044.db2.gz TYIWTPTXMMDHPR-UHFFFAOYSA-N -1 1 286.375 3.210 20 30 CGEDMM N#Cc1ccc(CCSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000594895047 347223104 /nfs/dbraw/zinc/22/31/04/347223104.db2.gz PYLGJNBOPUTEKT-UHFFFAOYSA-N -1 1 297.383 3.266 20 30 CGEDMM CC(C)(C)[C@H]1C[C@H](N=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596178551 347394739 /nfs/dbraw/zinc/39/47/39/347394739.db2.gz KWBZONYLJGCDPU-PSASIEDQSA-N -1 1 299.827 3.096 20 30 CGEDMM Cc1cc(C)cc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614367081 348670378 /nfs/dbraw/zinc/67/03/78/348670378.db2.gz KCKNUXOLFQQCFX-ZDUSSCGKSA-N -1 1 294.354 3.372 20 30 CGEDMM N#Cc1ccc(C(=O)N(C2CC2)C2CCCCC2)cc1[O-] ZINC000615427205 348739465 /nfs/dbraw/zinc/73/94/65/348739465.db2.gz FTUFMNHLDFIDGJ-UHFFFAOYSA-N -1 1 284.359 3.201 20 30 CGEDMM N#Cc1cc(F)c(C(=O)[N-]c2c(F)cccc2F)c(F)c1 ZINC000152051511 371668175 /nfs/dbraw/zinc/66/81/75/371668175.db2.gz VFBKFTZDXPKCRW-UHFFFAOYSA-N -1 1 294.207 3.367 20 30 CGEDMM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442952566 373129588 /nfs/dbraw/zinc/12/95/88/373129588.db2.gz LBFBNMMOYHMLAR-IUODEOHRSA-N -1 1 286.375 3.353 20 30 CGEDMM C=C(C)C[C@@H](C)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000469081673 374986648 /nfs/dbraw/zinc/98/66/48/374986648.db2.gz VMWFBDSFROBZJM-SNVBAGLBSA-N -1 1 289.404 3.409 20 30 CGEDMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188235072 375182502 /nfs/dbraw/zinc/18/25/02/375182502.db2.gz PNNDMWZWTDMCHL-GFCCVEGCSA-N -1 1 280.327 3.097 20 30 CGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCCCCC1 ZINC000188254873 375185672 /nfs/dbraw/zinc/18/56/72/375185672.db2.gz CBQNCRSCWPNRLU-UHFFFAOYSA-N -1 1 272.348 3.059 20 30 CGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)cc1[O-] ZINC000188351560 375202224 /nfs/dbraw/zinc/20/22/24/375202224.db2.gz GQNZEOYPOAKHPI-OAHLLOKOSA-N -1 1 284.359 3.059 20 30 CGEDMM C[C@@H]1CCCC[C@@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000329415394 542447124 /nfs/dbraw/zinc/44/71/24/542447124.db2.gz CUOZPYXSXIDKKY-KOLCDFICSA-N -1 1 279.409 3.023 20 30 CGEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(C3CC3)no2)s1 ZINC000281613174 195308496 /nfs/dbraw/zinc/30/84/96/195308496.db2.gz JGEOUNQMZSYBPG-UHFFFAOYSA-N -1 1 287.344 3.300 20 30 CGEDMM C=C[C@](C)(CCOC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000289108754 392413527 /nfs/dbraw/zinc/41/35/27/392413527.db2.gz PFVDFNSOFFZEDU-OAHLLOKOSA-N -1 1 292.310 3.062 20 30 CGEDMM COC(=O)c1c[n-]c(SCCC2(C#N)CCCCC2)n1 ZINC000413002807 393015241 /nfs/dbraw/zinc/01/52/41/393015241.db2.gz GVTDNUYYMOCRML-UHFFFAOYSA-N -1 1 293.392 3.153 20 30 CGEDMM CC(C)(C)c1ccc(NC(=O)c2cnccc2C#N)c([O-])c1 ZINC000488554697 393537826 /nfs/dbraw/zinc/53/78/26/393537826.db2.gz ZKGHPXQTUYKPPZ-UHFFFAOYSA-N -1 1 295.342 3.209 20 30 CGEDMM N#C[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)CC12CCCC2 ZINC000335214323 279487450 /nfs/dbraw/zinc/48/74/50/279487450.db2.gz FREQYSVDZOMLPA-OAHLLOKOSA-N -1 1 292.285 3.083 20 30 CGEDMM C=C1CCN(Cc2nc3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000563280260 328007252 /nfs/dbraw/zinc/00/72/52/328007252.db2.gz NSBKVGJKRATGPS-UHFFFAOYSA-N -1 1 296.370 3.393 20 30 CGEDMM C=C(C)C(C)(C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000425146198 329608320 /nfs/dbraw/zinc/60/83/20/329608320.db2.gz PFJIPPSSAPGAFS-UHFFFAOYSA-N -1 1 275.377 3.101 20 30 CGEDMM CN(C)c1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1F ZINC000727653151 571761172 /nfs/dbraw/zinc/76/11/72/571761172.db2.gz FXUYHISXABTHLT-WMZJFQQLSA-N -1 1 285.318 3.493 20 30 CGEDMM Cc1ccc(CC(N=Nc2nc(C)cc(=O)[n-]2)C2CC2)cc1 ZINC000741838435 572534234 /nfs/dbraw/zinc/53/42/34/572534234.db2.gz LWODSGCYPSWZIJ-UHFFFAOYSA-N -1 1 296.374 3.220 20 30 CGEDMM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000726876389 572603684 /nfs/dbraw/zinc/60/36/84/572603684.db2.gz QYALMCLFFMIHJG-VOTSOKGWSA-N -1 1 297.141 3.329 20 30 CGEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(C#N)c1 ZINC000827717317 600762037 /nfs/dbraw/zinc/76/20/37/600762037.db2.gz GMCDWNIHQAZZDX-MEDUHNTESA-N -1 1 298.317 3.174 20 30 CGEDMM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC(C)(C)C1 ZINC000833630389 605404979 /nfs/dbraw/zinc/40/49/79/605404979.db2.gz SERMYIZAGZXYJZ-GFCCVEGCSA-N -1 1 286.375 3.124 20 30 CGEDMM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822284012 606389247 /nfs/dbraw/zinc/38/92/47/606389247.db2.gz GFSYFEAMEGYAQR-ALCCZGGFSA-N -1 1 296.355 3.133 20 30 CGEDMM Cc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826306854 608092143 /nfs/dbraw/zinc/09/21/43/608092143.db2.gz NNAUOKRAVNQQIC-VOTSOKGWSA-N -1 1 296.355 3.133 20 30 CGEDMM Cc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826306854 608092144 /nfs/dbraw/zinc/09/21/44/608092144.db2.gz NNAUOKRAVNQQIC-VOTSOKGWSA-N -1 1 296.355 3.133 20 30 CGEDMM [O-]c1ccc(C=NOC/C=C\Cl)cc1Br ZINC000811669622 617694069 /nfs/dbraw/zinc/69/40/69/617694069.db2.gz GUVQQADKOWUUKT-HDFQWQTNSA-N -1 1 290.544 3.258 20 30 CGEDMM COc1cccc(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000255008111 617724626 /nfs/dbraw/zinc/72/46/26/617724626.db2.gz JGEHZZCFXFYOSI-ALCCZGGFSA-N -1 1 272.275 3.436 20 30 CGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cccc(O)c2)c1 ZINC000255894287 618865365 /nfs/dbraw/zinc/86/53/65/618865365.db2.gz YDMJPGRJFMMKMJ-VURMDHGXSA-N -1 1 254.285 3.302 20 30 CGEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1sccc1[O-] ZINC000188000499 619082314 /nfs/dbraw/zinc/08/23/14/619082314.db2.gz WCVYRWBOADDYAF-OWOJBTEDSA-N -1 1 282.267 3.334 20 30 CGEDMM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(F)c1)C2 ZINC000121289587 620113316 /nfs/dbraw/zinc/11/33/16/620113316.db2.gz LSIRRWKNJOLAFO-SDQBBNPISA-N -1 1 284.286 3.362 20 30 CGEDMM O=C([C@H]1CCCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901369702 620865958 /nfs/dbraw/zinc/86/59/58/620865958.db2.gz GGNRUAHLRSVIMV-MRXNPFEDSA-N -1 1 285.343 3.127 20 30 CGEDMM Cc1ccc(F)c(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000757467621 626780746 /nfs/dbraw/zinc/78/07/46/626780746.db2.gz HICCRXQYHFBSRS-UTCJRWHESA-N -1 1 272.275 3.441 20 30 CGEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(F)cc1[O-] ZINC000758358674 626838749 /nfs/dbraw/zinc/83/87/49/626838749.db2.gz ZHPQVXJLZBBAQQ-AWEZNQCLSA-N -1 1 296.342 3.441 20 30 CGEDMM Cc1cc(CN=Nc2ccccc2C(=O)[O-])ccc1C#N ZINC000766433091 627331691 /nfs/dbraw/zinc/33/16/91/627331691.db2.gz YHPOLWUUPRKFHD-UHFFFAOYSA-N -1 1 279.299 3.011 20 30 CGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(C#N)c(C)c2)c1 ZINC000766489387 627336762 /nfs/dbraw/zinc/33/67/62/627336762.db2.gz DIBGJVXXJQPSKV-DAXSKMNVSA-N -1 1 293.322 3.477 20 30 CGEDMM Cc1ccc(F)cc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000777916441 628310376 /nfs/dbraw/zinc/31/03/76/628310376.db2.gz ZUZLEGJMYMJUJA-VIZOYTHASA-N -1 1 270.259 3.456 20 30 CGEDMM Cc1cccn2c(/C=C/C(=O)c3ccc([O-])cc3)cnc12 ZINC000125211984 634655438 /nfs/dbraw/zinc/65/54/38/634655438.db2.gz MXGPMCGRBJCWPH-RMKNXTFCSA-N -1 1 278.311 3.244 20 30 CGEDMM CCCCCC[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785486405 628866602 /nfs/dbraw/zinc/86/66/02/628866602.db2.gz HYQBZYAGBBHGCK-LBPRGKRZSA-N -1 1 274.364 3.353 20 30 CGEDMM Cc1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2C)nc1 ZINC000788427523 629051181 /nfs/dbraw/zinc/05/11/81/629051181.db2.gz NLWWTMQFPLABKC-UHFFFAOYSA-N -1 1 283.331 3.233 20 30 CGEDMM [O-]c1ccc(Cl)c(F)c1C=NOC1CCCC1 ZINC000790170103 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CGEDMM N#Cc1c(F)cccc1Nc1ccc([O-])c(F)c1F ZINC001212007482 814966046 /nfs/dbraw/zinc/96/60/46/814966046.db2.gz HYNYAZWEESFAQV-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM COc1ccc(-c2c(F)ccc([O-])c2Cl)nc1CC#N ZINC001245830695 803985132 /nfs/dbraw/zinc/98/51/32/803985132.db2.gz UBONDQOGGBRYII-UHFFFAOYSA-N -1 1 292.697 3.321 20 30 CGEDMM N#CCc1cncc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245832644 803988416 /nfs/dbraw/zinc/98/84/16/803988416.db2.gz RBMUUKHHOOKLNS-UHFFFAOYSA-N -1 1 262.671 3.313 20 30 CGEDMM N#Cc1ccc(NC(=S)Nc2ccc(F)cc2[O-])cc1 ZINC001245914858 804042383 /nfs/dbraw/zinc/04/23/83/804042383.db2.gz PMVXUNVUNISNKY-UHFFFAOYSA-N -1 1 287.319 3.212 20 30 CGEDMM CSc1nc(Nc2ccc(C3(C#N)CC3)cc2)cc(=O)[n-]1 ZINC001212247503 814996136 /nfs/dbraw/zinc/99/61/36/814996136.db2.gz MIYVEPDWOODLMQ-UHFFFAOYSA-N -1 1 298.371 3.203 20 30 CGEDMM Cc1ccc(C#N)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151583136 805298761 /nfs/dbraw/zinc/29/87/61/805298761.db2.gz SXTLOWIKBACGAC-UHFFFAOYSA-N -1 1 286.718 3.478 20 30 CGEDMM C#Cc1cccnc1Nc1c(F)ccc([O-])c1Cl ZINC001250227868 805505555 /nfs/dbraw/zinc/50/55/55/805505555.db2.gz ADZRYNMAFSUWRL-UHFFFAOYSA-N -1 1 262.671 3.305 20 30 CGEDMM N#Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2F)c([O-])c1 ZINC001154947788 805511402 /nfs/dbraw/zinc/51/14/02/805511402.db2.gz RNQHDNJIJJOJKV-UHFFFAOYSA-N -1 1 295.273 3.137 20 30 CGEDMM N#CCOc1ccccc1Nc1cc(F)c([O-])cc1F ZINC001212602937 815083339 /nfs/dbraw/zinc/08/33/39/815083339.db2.gz ZMCIORONLRMGNM-UHFFFAOYSA-N -1 1 276.242 3.316 20 30 CGEDMM CCCOCCNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001167874425 807266429 /nfs/dbraw/zinc/26/64/29/807266429.db2.gz BNZVCGDSMYVUPZ-GIJQJNRQSA-N -1 1 290.285 3.352 20 30 CGEDMM COc1ccc(Nc2ncc(Cl)cc2[O-])c(C#N)c1 ZINC001212779930 815134872 /nfs/dbraw/zinc/13/48/72/815134872.db2.gz MJRFQPAPBFXYQW-UHFFFAOYSA-N -1 1 275.695 3.064 20 30 CGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2C2CC2)c1 ZINC001259117486 807675003 /nfs/dbraw/zinc/67/50/03/807675003.db2.gz YAJFINDTQFISIM-UHFFFAOYSA-N -1 1 298.367 3.236 20 30 CGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C)c1 ZINC001260998335 807709794 /nfs/dbraw/zinc/70/97/94/807709794.db2.gz MRXYGQKXHVAIAT-UHFFFAOYSA-N -1 1 285.368 3.086 20 30 CGEDMM N#CC(=C([O-])c1nccc2ccccc21)c1cccc(F)n1 ZINC001263378414 807949075 /nfs/dbraw/zinc/94/90/75/807949075.db2.gz FURVZLIUFNIJEJ-ZDUSSCGKSA-N -1 1 291.285 3.259 20 30 CGEDMM CCc1ccc(C(=O)N2CCc3c2cccc3C#N)c([O-])c1 ZINC001299664060 809553155 /nfs/dbraw/zinc/55/31/55/809553155.db2.gz NSOORJRHBAIESS-UHFFFAOYSA-N -1 1 292.338 3.029 20 30 CGEDMM C[Si](C)(C)C#CCCNC(=O)c1c([O-])cccc1Cl ZINC001300588433 809570357 /nfs/dbraw/zinc/57/03/57/809570357.db2.gz LUGFUCZQIIERAS-UHFFFAOYSA-N -1 1 295.842 3.046 20 30 CGEDMM C#Cc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175975794 809589261 /nfs/dbraw/zinc/58/92/61/809589261.db2.gz RQVRERJKXBRMGC-UHFFFAOYSA-N -1 1 277.279 3.224 20 30 CGEDMM CC[C@@H](Cc1ccccc1)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001302372163 809593036 /nfs/dbraw/zinc/59/30/36/809593036.db2.gz VOZQJDDOCZVQGE-INIZCTEOSA-N -1 1 294.354 3.237 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3.481 20 30 CGEDMM N#Cc1c(F)cc(F)cc1Nc1cc([O-])cc(F)c1 ZINC001208198192 813741064 /nfs/dbraw/zinc/74/10/64/813741064.db2.gz ADDVTIZANJKYKP-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM Cc1nc(Nc2cccc(Cl)c2[O-])c(C#N)cc1C#N ZINC001210218240 814347035 /nfs/dbraw/zinc/34/70/35/814347035.db2.gz HBDJOMWAIQDBMY-UHFFFAOYSA-N -1 1 284.706 3.236 20 30 CGEDMM Cc1cnc(Nc2cccc(Cl)c2[O-])c(C#N)c1 ZINC001210220007 814347959 /nfs/dbraw/zinc/34/79/59/814347959.db2.gz UFKDAIFSWGPMLX-UHFFFAOYSA-N -1 1 259.696 3.364 20 30 CGEDMM COc1ccc(CC#N)cc1-c1cc(F)c([O-])cc1F ZINC001211338209 814882002 /nfs/dbraw/zinc/88/20/02/814882002.db2.gz BMYOCJNBPJQCAM-UHFFFAOYSA-N -1 1 275.254 3.412 20 30 CGEDMM N#Cc1ccnc(-c2cc([O-])cc(OC(F)(F)F)c2)c1F ZINC001242985988 823199024 /nfs/dbraw/zinc/19/90/24/823199024.db2.gz FBKJAAPPDZMWIQ-UHFFFAOYSA-N -1 1 298.195 3.364 20 30 CGEDMM C[C@H]1C[C@H](O/C(=N\[O-])c2ccc(Cl)cc2)CCO1 ZINC001223592770 816654412 /nfs/dbraw/zinc/65/44/12/816654412.db2.gz DXKSFOVTMWPSIT-TUKVHPRHSA-N -1 1 269.728 3.060 20 30 CGEDMM CC1(C)C(=O)CCC[C@@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223889640 816697206 /nfs/dbraw/zinc/69/72/06/816697206.db2.gz IUTSELJSDHLJMO-SSICXYGWSA-N -1 1 297.301 3.265 20 30 CGEDMM CC(=O)c1ccc([O-])cc1O[C@H](C)C#C[Si](C)(C)C ZINC001225619828 817115446 /nfs/dbraw/zinc/11/54/46/817115446.db2.gz XMCIUATXANLRQC-LLVKDONJSA-N -1 1 276.408 3.243 20 30 CGEDMM C=C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225664362 817133077 /nfs/dbraw/zinc/13/30/77/817133077.db2.gz NXISUGUXVDEPAS-LBPRGKRZSA-N -1 1 272.260 3.002 20 30 CGEDMM C=C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225664362 817133080 /nfs/dbraw/zinc/13/30/80/817133080.db2.gz NXISUGUXVDEPAS-LBPRGKRZSA-N -1 1 272.260 3.002 20 30 CGEDMM C=C[C@@H](CCCCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668064 817134649 /nfs/dbraw/zinc/13/46/49/817134649.db2.gz YHOMLEGQWSWFLG-JTQLQIEISA-N -1 1 266.297 3.209 20 30 CGEDMM CO[C@@H](COc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226114242 817276596 /nfs/dbraw/zinc/27/65/96/817276596.db2.gz IBZCPDUJOJTQPY-KTZOAPACSA-N -1 1 271.316 3.261 20 30 CGEDMM CC[C@H](Oc1nccc(/C=N/[O-])n1)c1cccc(F)c1C ZINC001226257272 817312360 /nfs/dbraw/zinc/31/23/60/817312360.db2.gz YYKQDADMRVAPAC-RMNBPEERSA-N -1 1 289.310 3.262 20 30 CGEDMM C=CCC[C@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172942 817579425 /nfs/dbraw/zinc/57/94/25/817579425.db2.gz SAGPUQKHCMSYIT-ZDUSSCGKSA-N -1 1 278.348 3.345 20 30 CGEDMM N#Cc1c([O-])ccc(OC2CCC(F)(F)CC2)c1C#N ZINC001227617274 817682679 /nfs/dbraw/zinc/68/26/79/817682679.db2.gz CGJBIYZULRDBNG-UHFFFAOYSA-N -1 1 278.258 3.092 20 30 CGEDMM CCCC[C@@H](CC)Oc1ccc([O-])c(C#N)c1C#N ZINC001227617920 817684696 /nfs/dbraw/zinc/68/46/96/817684696.db2.gz JFJDAMKCTCGPPZ-LLVKDONJSA-N -1 1 258.321 3.483 20 30 CGEDMM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc([O-])c(C#N)c2C#N)C1 ZINC001227617546 817684927 /nfs/dbraw/zinc/68/49/27/817684927.db2.gz FIFZADCYOIAREN-GDLVEWKHSA-N -1 1 270.332 3.339 20 30 CGEDMM N#CC1CCC(Oc2[n-]c(=S)nc3cnccc32)CC1 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N#CCCN(Cc1cc([O-])c(F)c(F)c1)C1CCCC1 ZINC001232970248 818487159 /nfs/dbraw/zinc/48/71/59/818487159.db2.gz CYEQPAHJGKELTG-UHFFFAOYSA-N -1 1 280.318 3.329 20 30 CGEDMM CN(Cc1ccc(C#N)cc1[O-])[C@@H](C1CCC1)C(F)(F)F ZINC001233387030 818606746 /nfs/dbraw/zinc/60/67/46/818606746.db2.gz RFTSJNMIHDPJHH-AWEZNQCLSA-N -1 1 298.308 3.427 20 30 CGEDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@@H](C#N)C1 ZINC001233493956 818626692 /nfs/dbraw/zinc/62/66/92/818626692.db2.gz BJNNXRCTSUJHJR-GHMZBOCLSA-N -1 1 289.331 3.152 20 30 CGEDMM CCC1=C(Oc2c([O-])cc(Cl)cc2F)C(=O)[C@@H](C)O1 ZINC001234448669 818857446 /nfs/dbraw/zinc/85/74/46/818857446.db2.gz WMTKGBYEEJQERK-ZCFIWIBFSA-N -1 1 286.686 3.173 20 30 CGEDMM C=C[C@H](CCCC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475263 818862945 /nfs/dbraw/zinc/86/29/45/818862945.db2.gz FHXGBSBVDRQIGH-LLVKDONJSA-N -1 1 264.321 3.424 20 30 CGEDMM Cc1nc(-c2cccc([O-])c2F)c(C#N)c(C)c1C ZINC001243545722 823437989 /nfs/dbraw/zinc/43/79/89/823437989.db2.gz DJIDHOCXOZYKEB-UHFFFAOYSA-N -1 1 256.280 3.390 20 30 CGEDMM COc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1F ZINC001239750654 820572750 /nfs/dbraw/zinc/57/27/50/820572750.db2.gz MPDBGKFAMKUQOP-CAOOACKPSA-N -1 1 263.243 3.449 20 30 CGEDMM N#Cc1cc2c(nc1-c1c(F)ccc([O-])c1F)CCCC2 ZINC001241290256 821706348 /nfs/dbraw/zinc/70/63/48/821706348.db2.gz NVCVQFKEOPYWJH-UHFFFAOYSA-N -1 1 286.281 3.483 20 30 CGEDMM COc1cc(-c2ccc(/C(C)=N/[O-])cc2)c(F)cn1 ZINC001241665430 822043537 /nfs/dbraw/zinc/04/35/37/822043537.db2.gz ADWARSPIWIJNBS-RQZCQDPDSA-N -1 1 260.268 3.095 20 30 CGEDMM Cc1nc(C#N)cc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242134024 822889331 /nfs/dbraw/zinc/88/93/31/822889331.db2.gz OUKJEDQIBZDSJE-UHFFFAOYSA-N -1 1 279.221 3.048 20 30 CGEDMM COC(=O)c1nc2cc(-c3cc(C#N)ccc3C)ccc2[n-]1 ZINC001242541434 823024892 /nfs/dbraw/zinc/02/48/92/823024892.db2.gz FUBJAFAUJKMHMH-UHFFFAOYSA-N -1 1 291.310 3.197 20 30 CGEDMM COC(=O)c1nc2ccc(-c3cc(C#N)ccc3C)cc2[n-]1 ZINC001242541434 823024895 /nfs/dbraw/zinc/02/48/95/823024895.db2.gz 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C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614370613 348670933 /nfs/dbraw/zinc/67/09/33/348670933.db2.gz VPBDJVJKRJFJGC-STQMWFEESA-N -1 1 294.354 3.186 20 30 CGEDMM C[C@H](CCc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293052 348665666 /nfs/dbraw/zinc/66/56/66/348665666.db2.gz QNSIBPLTYLSECK-CYBMUJFWSA-N -1 1 294.354 3.015 20 30 CGEDMM CC(C)Oc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614363058 348669760 /nfs/dbraw/zinc/66/97/60/348669760.db2.gz BIGITMKKRONMIC-UHFFFAOYSA-N -1 1 296.326 3.303 20 30 CGEDMM C=CCCCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632536695 351203601 /nfs/dbraw/zinc/20/36/01/351203601.db2.gz QFPWESAFJBDWEF-UHFFFAOYSA-N -1 1 293.335 3.242 20 30 CGEDMM C=CCC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000291827467 372175913 /nfs/dbraw/zinc/17/59/13/372175913.db2.gz DXZCGHGNMCMKDQ-UHFFFAOYSA-N -1 1 262.284 3.435 20 30 CGEDMM N#CC1(F)CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436837004 372840201 /nfs/dbraw/zinc/84/02/01/372840201.db2.gz IMLDXKZJBBJESB-UHFFFAOYSA-N -1 1 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CGEDMM COc1ccc([C@@H](C)Oc2cccc(/C=N/[O-])c2)cn1 ZINC001226114105 817275991 /nfs/dbraw/zinc/27/59/91/817275991.db2.gz FQQKLRKAMZJGQK-LBFZPMSMSA-N -1 1 272.304 3.038 20 30 CGEDMM C#C[C@H](CC)Oc1c(C(C)=O)ccc([O-])c1CC=C ZINC001227120025 817564637 /nfs/dbraw/zinc/56/46/37/817564637.db2.gz DDOVPBLNGHMWGA-GFCCVEGCSA-N -1 1 258.317 3.114 20 30 CGEDMM C=C[C@@H](CCCCCC)Oc1cnnc(=S)[n-]1 ZINC001228635740 817958821 /nfs/dbraw/zinc/95/88/21/817958821.db2.gz CIZDDFGOEHOAME-JTQLQIEISA-N -1 1 253.371 3.064 20 30 CGEDMM C#C[C@@H](CC)Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231230552 818063288 /nfs/dbraw/zinc/06/32/88/818063288.db2.gz OJCNOOINKXQZCD-HNNXBMFYSA-N -1 1 280.323 3.414 20 30 CGEDMM COc1cc(/C=N/[O-])ccc1O[C@@H](c1cccnc1)C1CC1 ZINC001233802682 818708048 /nfs/dbraw/zinc/70/80/48/818708048.db2.gz IDLWYRYFVHJJLQ-OXNWSPOFSA-N -1 1 298.342 3.428 20 30 CGEDMM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ncccc1F ZINC001233804325 818709984 /nfs/dbraw/zinc/70/99/84/818709984.db2.gz XCSKMGHUMNSMKB-SVXRXWARSA-N -1 1 290.294 3.177 20 30 CGEDMM CCC1=C(Oc2c(Cl)ccc([O-])c2F)C(=O)[C@H](C)O1 ZINC001234262603 818819786 /nfs/dbraw/zinc/81/97/86/818819786.db2.gz AGKUNXGGMKDVQL-LURJTMIESA-N -1 1 286.686 3.173 20 30 CGEDMM CCCC(=O)[C@H](CCC)Oc1ccccc1C=N[O-] ZINC001234818533 818925386 /nfs/dbraw/zinc/92/53/86/818925386.db2.gz ATUPSGCLNKIWQB-HNNXBMFYSA-N -1 1 263.337 3.411 20 30 CGEDMM CC(C)C[C@@H](Oc1ccccc1C=N[O-])C(=O)OC(C)C ZINC001234822025 818926777 /nfs/dbraw/zinc/92/67/77/818926777.db2.gz JWDZEXRJTVRULO-OAHLLOKOSA-N -1 1 293.363 3.240 20 30 CGEDMM Cc1ccc([C@@H](C)Oc2ccccc2C=N[O-])cn1 ZINC001234819727 818926836 /nfs/dbraw/zinc/92/68/36/818926836.db2.gz OJKQPKWUFDUWAE-GFCCVEGCSA-N -1 1 256.305 3.338 20 30 CGEDMM CC1(C)C(=O)CCC[C@@H]1Oc1ccccc1C=N[O-] ZINC001234820573 818927089 /nfs/dbraw/zinc/92/70/89/818927089.db2.gz XDFPNEZPMATEEP-AWEZNQCLSA-N -1 1 261.321 3.021 20 30 CGEDMM [O-]/N=C/c1ccc(-c2cccnc2N2CCCC2)cc1F ZINC001236133450 819336089 /nfs/dbraw/zinc/33/60/89/819336089.db2.gz SZVXBLZPMUIHKG-YBFXNURJSA-N -1 1 285.322 3.296 20 30 CGEDMM CC(C)Oc1cc(-c2cc(/C=N/[O-])ccc2F)ccn1 ZINC001236560712 819536521 /nfs/dbraw/zinc/53/65/21/819536521.db2.gz IDIUYQUTGJIKHT-GIJQJNRQSA-N -1 1 274.295 3.483 20 30 CGEDMM COc1ccc(F)c(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001240119112 820829776 /nfs/dbraw/zinc/82/97/76/820829776.db2.gz FOXQXMVBBFNQQC-CAOOACKPSA-N -1 1 263.243 3.449 20 30 CGEDMM N#Cc1ccc(C(F)(F)F)nc1-c1cc([O-])cc(F)c1 ZINC001241257066 821677149 /nfs/dbraw/zinc/67/71/49/821677149.db2.gz FUNGRNHUVDVPKC-UHFFFAOYSA-N -1 1 282.196 3.484 20 30 CGEDMM Cc1cccc(-c2nc3ncccc3cc2C#N)c1[O-] ZINC001242344746 822958052 /nfs/dbraw/zinc/95/80/52/822958052.db2.gz CKWXFDFFGLZORU-UHFFFAOYSA-N -1 1 261.284 3.183 20 30 CGEDMM COc1nc(C)c(-c2cccc(F)c2[O-])c(C)c1C#N ZINC001242351396 822961245 /nfs/dbraw/zinc/96/12/45/822961245.db2.gz IYGOUWTXKASRPR-UHFFFAOYSA-N -1 1 272.279 3.090 20 30 CGEDMM Cc1ccc(C#N)cc1-c1cc(/C=N/[O-])ccc1F ZINC001242542627 823025111 /nfs/dbraw/zinc/02/51/11/823025111.db2.gz MQQYGLJVMARAGP-GIJQJNRQSA-N -1 1 254.264 3.481 20 30 CGEDMM N#Cc1cc(-c2cc(-c3cccs3)ncn2)ccc1[O-] ZINC001242563135 823032968 /nfs/dbraw/zinc/03/29/68/823032968.db2.gz POUKDBZSQVPKMI-UHFFFAOYSA-N -1 1 279.324 3.449 20 30 CGEDMM N#Cc1cc(-c2ccnc(C3CCCC3)n2)ccc1[O-] ZINC001242562606 823032980 /nfs/dbraw/zinc/03/29/80/823032980.db2.gz CNVKYQOCYOIQAP-UHFFFAOYSA-N -1 1 265.316 3.378 20 30 CGEDMM N#Cc1cc(-c2cc(C#N)c3ccccc3n2)ccc1[O-] ZINC001242563305 823033468 /nfs/dbraw/zinc/03/34/68/823033468.db2.gz FAYDMEUMYBVLDS-UHFFFAOYSA-N -1 1 271.279 3.351 20 30 CGEDMM Cc1ccc2c(c1)ncnc2-c1ccc([O-])c(C#N)c1 ZINC001242563107 823033496 /nfs/dbraw/zinc/03/34/96/823033496.db2.gz SCMOURVVZRPBLJ-UHFFFAOYSA-N -1 1 261.284 3.183 20 30 CGEDMM N#Cc1cc(-c2nccc3c4c([nH]c32)CCC4)ccc1[O-] ZINC001242563645 823034144 /nfs/dbraw/zinc/03/41/44/823034144.db2.gz UGZJTPRGLTXQEE-UHFFFAOYSA-N -1 1 275.311 3.296 20 30 CGEDMM CC(C)[S@](=O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564534 823034204 /nfs/dbraw/zinc/03/42/04/823034204.db2.gz FRXOBHJCUMZHHF-FQEVSTJZSA-N -1 1 285.368 3.447 20 30 CGEDMM COC(=O)C(C)(C)c1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242564245 823034608 /nfs/dbraw/zinc/03/46/08/823034608.db2.gz USUFCVZQQCMRHV-UHFFFAOYSA-N -1 1 295.338 3.381 20 30 CGEDMM COc1ccc2nccc(-c3ccc([O-])c(C#N)c3)c2c1 ZINC001242565587 823035998 /nfs/dbraw/zinc/03/59/98/823035998.db2.gz LKNUBFPJIMSWHQ-UHFFFAOYSA-N -1 1 276.295 3.488 20 30 CGEDMM N#Cc1cnc2cc(-c3ccc([O-])c(C#N)c3)ccc2c1 ZINC001242567220 823037191 /nfs/dbraw/zinc/03/71/91/823037191.db2.gz SESIEHLBDNHTQA-UHFFFAOYSA-N -1 1 271.279 3.351 20 30 CGEDMM CCc1sc(C([O-])=C(C#N)c2nccn2CC)cc1C ZINC001344322383 936529617 /nfs/dbraw/zinc/52/96/17/936529617.db2.gz NHQFCVYLQNQKMZ-NSHDSACASA-N -1 1 287.388 3.325 20 30 CGEDMM COc1ncc(-c2ccc([O-])c(C#N)c2)cc1C(F)F ZINC001242566106 928105867 /nfs/dbraw/zinc/10/58/67/928105867.db2.gz JDNFVSRXVIGPRK-UHFFFAOYSA-N -1 1 276.242 3.272 20 30 CGEDMM N#CC1CCC(=Nc2c([O-])cc(F)cc2F)CC1 ZINC001212861631 928650492 /nfs/dbraw/zinc/65/04/92/928650492.db2.gz WFJSHUDJQLSMJS-MRVPVSSYSA-N -1 1 250.248 3.290 20 30 CGEDMM N#C[C@@H]1CC=C(Nc2c([O-])cc(F)cc2F)CC1 ZINC001212861631 928650498 /nfs/dbraw/zinc/65/04/98/928650498.db2.gz WFJSHUDJQLSMJS-MRVPVSSYSA-N -1 1 250.248 3.290 20 30 CGEDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1C#N ZINC001229396117 932145195 /nfs/dbraw/zinc/14/51/95/932145195.db2.gz PZCVAHOTTXSZDP-SNVBAGLBSA-N -1 1 284.271 3.312 20 30 CGEDMM C/C(=N\[O-])c1ccccc1O[C@H](C)c1ccccn1 ZINC001229736555 932476552 /nfs/dbraw/zinc/47/65/52/932476552.db2.gz DNKMJGSMXNTGLN-PBSOMRJOSA-N -1 1 256.305 3.420 20 30 CGEDMM C/C(=N\[O-])c1ccccc1O[C@@H]1CCCn2cc(C)nc21 ZINC001229736642 932476586 /nfs/dbraw/zinc/47/65/86/932476586.db2.gz FZRFNHCTYBEQFW-GYZOOYGHSA-N -1 1 285.347 3.304 20 30 CGEDMM O=C(COc1ccccc1)N([O-])Cc1ccccc1Cl ZINC001306892499 932890967 /nfs/dbraw/zinc/89/09/67/932890967.db2.gz IDMYWLPIJQVPCJ-UHFFFAOYSA-N -1 1 291.734 3.137 20 30 CGEDMM C#CC[C@H](NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001466163016 937706763 /nfs/dbraw/zinc/70/67/63/937706763.db2.gz IKTXDHOUROAHGN-AWEZNQCLSA-N -1 1 283.302 3.026 20 30 CGEDMM CC(C)Sc1ccc(C([O-])=C(C#N)c2nccn2C)cc1 ZINC001524268918 938043362 /nfs/dbraw/zinc/04/33/62/938043362.db2.gz YJVFGTHZZYZGGH-AWEZNQCLSA-N -1 1 299.399 3.411 20 30 CGEDMM Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1C#N ZINC001556783947 938205673 /nfs/dbraw/zinc/20/56/73/938205673.db2.gz GEPPABIVKKXROI-UHFFFAOYSA-N -1 1 286.718 3.478 20 30 CGEDMM C=CCCC(=O)Nc1cccc([O-])c1Br ZINC001569379026 961753994 /nfs/dbraw/zinc/75/39/94/961753994.db2.gz KWMWIZAAQBWWIF-UHFFFAOYSA-N -1 1 270.126 3.059 20 30 CGEDMM C#C[C@@H](C)N(C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001588368058 963272141 /nfs/dbraw/zinc/27/21/41/963272141.db2.gz GDSXTXOHWJRIMY-GFCCVEGCSA-N -1 1 283.327 3.098 20 30 CGEDMM C#CCCN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588447361 964086453 /nfs/dbraw/zinc/08/64/53/964086453.db2.gz HHSNCBZBGINGSG-GFCCVEGCSA-N -1 1 286.158 3.074 20 30 CGEDMM CC(C)CCN(CCC#N)CCc1ccccc1C(=O)[O-] ZINC001591245187 992133203 /nfs/dbraw/zinc/13/32/03/992133203.db2.gz CUVWBZSIYRYRBP-UHFFFAOYSA-N -1 1 288.391 3.189 20 30 CGEDMM C[C@H]1CCCC[C@@H]1N=c1[n-]c(C#N)c(Cl)s1 ZINC000590569861 346851646 /nfs/dbraw/zinc/85/16/46/346851646.db2.gz QQFXXBQVUWNSMH-YUMQZZPRSA-N -1 1 255.774 3.081 20 30 CGEDMM CCC1(NC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000590873358 346882380 /nfs/dbraw/zinc/88/23/80/346882380.db2.gz FWPIKCOUHHNZDD-UHFFFAOYSA-N -1 1 272.348 3.107 20 30 CGEDMM C[C@@H](CCC(C)(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589182288 346787984 /nfs/dbraw/zinc/78/79/84/346787984.db2.gz WTAUXAYLLJSYIV-NSHDSACASA-N -1 1 274.364 3.208 20 30 CGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2CC2CCCC2)c1 ZINC000594416144 347173181 /nfs/dbraw/zinc/17/31/81/347173181.db2.gz CFSQDBANTQKSBF-INIZCTEOSA-N -1 1 298.386 3.449 20 30 CGEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)cc1[O-] ZINC000598461187 347660145 /nfs/dbraw/zinc/66/01/45/347660145.db2.gz GMPRDXJICMZNLG-INIZCTEOSA-N -1 1 298.386 3.449 20 30 CGEDMM CCCn1nc(C)c(-c2ccc(C#N)cc2[O-])c1C ZINC000600789474 347836490 /nfs/dbraw/zinc/83/64/90/347836490.db2.gz FGOQBZSSIGPRMO-UHFFFAOYSA-N -1 1 255.321 3.154 20 30 CGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000614298221 348665869 /nfs/dbraw/zinc/66/58/69/348665869.db2.gz IZICLALYOIETOF-UHFFFAOYSA-N -1 1 298.386 3.450 20 30 CGEDMM C[C@@H]1CCC[C@H](CNC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1C ZINC000619545209 349257899 /nfs/dbraw/zinc/25/78/99/349257899.db2.gz OGOMPRKWZMWDPO-YRGRVCCFSA-N -1 1 286.375 3.066 20 30 CGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(F)c(F)c2)n1 ZINC000047357955 369313950 /nfs/dbraw/zinc/31/39/50/369313950.db2.gz CINOJVWSFPEVBX-VIFPVBQESA-N -1 1 278.283 3.220 20 30 CGEDMM C=CCCC[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000131472281 371110704 /nfs/dbraw/zinc/11/07/04/371110704.db2.gz UFEPESZCFLUZPD-SNVBAGLBSA-N -1 1 251.301 3.006 20 30 CGEDMM C=CCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000424728626 372096086 /nfs/dbraw/zinc/09/60/86/372096086.db2.gz BMIFKSAGDVCOTN-UHFFFAOYSA-N -1 1 295.766 3.357 20 30 CGEDMM C=CCCCS(=O)(=O)[N-]c1nccc2sccc21 ZINC000427788339 372175314 /nfs/dbraw/zinc/17/53/14/372175314.db2.gz XZVYTIYZKGTCRT-UHFFFAOYSA-N -1 1 282.390 3.004 20 30 CGEDMM C=CCN(CCC#N)C(=O)c1ccc2ccccc2c1[O-] ZINC000436840036 372841165 /nfs/dbraw/zinc/84/11/65/372841165.db2.gz PXLPWJSMEHKZSS-UHFFFAOYSA-N -1 1 280.327 3.087 20 30 CGEDMM C=C(C)CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436888753 372842771 /nfs/dbraw/zinc/84/27/71/372842771.db2.gz UAYDCONTLRNALA-UHFFFAOYSA-N -1 1 273.254 3.059 20 30 CGEDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC000329839124 374434685 /nfs/dbraw/zinc/43/46/85/374434685.db2.gz VZPBSJWWHFAKDA-UHFFFAOYSA-N -1 1 273.292 3.362 20 30 CGEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C)cc1 ZINC000189872818 375455342 /nfs/dbraw/zinc/45/53/42/375455342.db2.gz REDRJDYAZJEZIC-MRXNPFEDSA-N -1 1 294.354 3.453 20 30 CGEDMM C#CCCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278323066 193919646 /nfs/dbraw/zinc/91/96/46/193919646.db2.gz ZAZOYGAGKFYXFW-UHFFFAOYSA-N -1 1 276.723 3.442 20 30 CGEDMM CC1CCC(N(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)CC1 ZINC000191134359 392821088 /nfs/dbraw/zinc/82/10/88/392821088.db2.gz LRITWRXOPAJDGL-UHFFFAOYSA-N -1 1 298.386 3.447 20 30 CGEDMM CCCC1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000443329756 393751626 /nfs/dbraw/zinc/75/16/26/393751626.db2.gz AKWXWXIUNNZQSR-UHFFFAOYSA-N -1 1 286.375 3.353 20 30 CGEDMM Cc1cc(C#N)ccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445459730 393796772 /nfs/dbraw/zinc/79/67/72/393796772.db2.gz GNVCOAIIXSRKMM-UHFFFAOYSA-N -1 1 295.273 3.428 20 30 CGEDMM C=CCCCCCN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681048797 543760674 /nfs/dbraw/zinc/76/06/74/543760674.db2.gz PAGQPMYOUQVVCP-UHFFFAOYSA-N -1 1 265.328 3.350 20 30 CGEDMM CC(C)(C#N)CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000277486013 263041464 /nfs/dbraw/zinc/04/14/64/263041464.db2.gz CHLPXFXBYGAKPX-UHFFFAOYSA-N -1 1 263.366 3.092 20 30 CGEDMM CC(C)n1nccc1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000280104975 263058989 /nfs/dbraw/zinc/05/89/89/263058989.db2.gz VBDFFPQYYKQTFM-UKTHLTGXSA-N -1 1 282.343 3.382 20 30 CGEDMM N#CC[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000295578678 263179887 /nfs/dbraw/zinc/17/98/87/263179887.db2.gz PUOCRLQKQWOEGZ-WFASDCNBSA-N -1 1 294.354 3.358 20 30 CGEDMM C=CCCC1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CC1 ZINC000359321511 328897041 /nfs/dbraw/zinc/89/70/41/328897041.db2.gz MSCRKSOFNAXKDP-UHFFFAOYSA-N -1 1 287.388 3.245 20 30 CGEDMM C=CCCOCCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456787572 331204026 /nfs/dbraw/zinc/20/40/26/331204026.db2.gz QASGJWDSRMSFTF-UHFFFAOYSA-N -1 1 299.317 3.372 20 30 CGEDMM Cc1cccc(CN=Nc2ccccc2C(=O)[O-])c1C ZINC000731150982 572396905 /nfs/dbraw/zinc/39/69/05/572396905.db2.gz KNQRJKDOTZZSSC-UHFFFAOYSA-N -1 1 268.316 3.448 20 30 CGEDMM Cc1cc(NN=Cc2c(O)ccc3ccccc32)ncn1 ZINC000731935573 572439293 /nfs/dbraw/zinc/43/92/93/572439293.db2.gz GWCOTQBRWTXVRZ-UHFFFAOYSA-N -1 1 278.315 3.090 20 30 CGEDMM C#CCc1c(C)[n-]n(Cc2cccc(Cl)c2Cl)c1=O ZINC000899355148 620650672 /nfs/dbraw/zinc/65/06/72/620650672.db2.gz NRXOISGICLYLSR-LLVKDONJSA-N -1 1 295.169 3.351 20 30 CGEDMM C#CCc1c(C)[n-]n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000899348204 620652649 /nfs/dbraw/zinc/65/26/49/620652649.db2.gz SLLLMJHCERAXHZ-CYBMUJFWSA-N -1 1 294.276 3.063 20 30 CGEDMM C=CC[C@@H](CC)NC(=O)c1c([O-])cccc1Cl ZINC000799034906 630134172 /nfs/dbraw/zinc/13/41/72/630134172.db2.gz ODBWJBGNQRUPKM-SECBINFHSA-N -1 1 253.729 3.130 20 30 CGEDMM C=CCCC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000823894166 608588149 /nfs/dbraw/zinc/58/81/49/608588149.db2.gz JCTLREOVGIGCHZ-SSDOTTSWSA-N -1 1 298.803 3.133 20 30 CGEDMM C=CCCC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000823894166 608588151 /nfs/dbraw/zinc/58/81/51/608588151.db2.gz JCTLREOVGIGCHZ-SSDOTTSWSA-N -1 1 298.803 3.133 20 30 CGEDMM CCOC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])cc2)o1 ZINC000254942809 617687555 /nfs/dbraw/zinc/68/75/55/617687555.db2.gz UADHZGIJUZZRAL-CLFYSBASSA-N -1 1 286.283 3.058 20 30 CGEDMM C=C(C)CN(CC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900168861 620768459 /nfs/dbraw/zinc/76/84/59/620768459.db2.gz LRWXTMYKDLQHBB-UHFFFAOYSA-N -1 1 288.322 3.118 20 30 CGEDMM O=C1c2cc(F)ccc2C/C1=C\c1ccc([O-])c(F)c1 ZINC000255206003 618075739 /nfs/dbraw/zinc/07/57/39/618075739.db2.gz OFAAJVBGQZOIIS-VZUCSPMQSA-N -1 1 272.250 3.493 20 30 CGEDMM Cc1ccccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000255675409 618775592 /nfs/dbraw/zinc/77/55/92/618775592.db2.gz SZPMPXGFCMJAOC-VURMDHGXSA-N -1 1 254.285 3.302 20 30 CGEDMM C[C@]1(C(=O)N([O-])Cc2ccccc2Cl)CCCCO1 ZINC000904193953 621887310 /nfs/dbraw/zinc/88/73/10/621887310.db2.gz ZFQNEODXSFTYFB-CQSZACIVSA-N -1 1 283.755 3.017 20 30 CGEDMM C=CCC(C)(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987247 622442986 /nfs/dbraw/zinc/44/29/86/622442986.db2.gz NHFQXQVIGPBHDO-UHFFFAOYSA-N -1 1 255.264 3.211 20 30 CGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc(C#N)c1)O2 ZINC000915988854 624094170 /nfs/dbraw/zinc/09/41/70/624094170.db2.gz KPMDHNMMHXFKKJ-VIZOYTHASA-N -1 1 277.279 3.189 20 30 CGEDMM O=C(C=Cc1ccc([O-])c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000755585169 626629919 /nfs/dbraw/zinc/62/99/19/626629919.db2.gz PMUWZCGGVQHMMI-KTAJNNJTSA-N -1 1 298.273 3.009 20 30 CGEDMM COc1cccc2c1C/C(=C/c1ccc([O-])c(F)c1)C2=O ZINC000755598642 626631179 /nfs/dbraw/zinc/63/11/79/626631179.db2.gz KCQVREGKDBLBIC-XFFZJAGNSA-N -1 1 284.286 3.362 20 30 CGEDMM CC(=NNCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757460473 626780135 /nfs/dbraw/zinc/78/01/35/626780135.db2.gz WIKHXWYGRPLXQZ-UHFFFAOYSA-N -1 1 276.286 3.184 20 30 CGEDMM Cc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000757475180 626782064 /nfs/dbraw/zinc/78/20/64/626782064.db2.gz ZSIPIXMOVSVIIQ-ALCCZGGFSA-N -1 1 282.295 3.295 20 30 CGEDMM Cc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)cnc1Cl ZINC000760265542 626950851 /nfs/dbraw/zinc/95/08/51/626950851.db2.gz VWINMHGLIJJJSC-WLRTZDKTSA-N -1 1 287.702 3.365 20 30 CGEDMM N#CC(=C([O-])C=Cc1ccccc1Cl)c1ccncn1 ZINC000760347253 626962552 /nfs/dbraw/zinc/96/25/52/626962552.db2.gz UMPRCEKNAKUWIA-FYJFLYSWSA-N -1 1 283.718 3.020 20 30 CGEDMM C#CCN(C(=O)c1c([O-])cccc1Cl)C1CCCCC1 ZINC000769725376 627574809 /nfs/dbraw/zinc/57/48/09/627574809.db2.gz BAKUNGHLDNBJDH-UHFFFAOYSA-N -1 1 291.778 3.454 20 30 CGEDMM C#CC[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000772190488 627772736 /nfs/dbraw/zinc/77/27/36/627772736.db2.gz MENQTNCBWCLEBY-AWEZNQCLSA-N -1 1 283.302 3.026 20 30 CGEDMM O=c1ccccn1N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000776787170 628232367 /nfs/dbraw/zinc/23/23/67/628232367.db2.gz PVCPRQCXFUAASD-UHFFFAOYSA-N -1 1 298.729 3.243 20 30 CGEDMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000785410065 628860113 /nfs/dbraw/zinc/86/01/13/628860113.db2.gz SAILIYOYRBYFGR-SNVBAGLBSA-N -1 1 286.356 3.125 20 30 CGEDMM Cc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000209437848 634792854 /nfs/dbraw/zinc/79/28/54/634792854.db2.gz FPFAELHIQOVQNH-VIZOYTHASA-N -1 1 297.266 3.225 20 30 CGEDMM N#CC1CCC(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000799735238 630228130 /nfs/dbraw/zinc/22/81/30/630228130.db2.gz MSGRZYHZFZKIGN-UHFFFAOYSA-N -1 1 292.766 3.105 20 30 CGEDMM CCc1nn(C)cc1/C=C\C(=O)c1c(C)cc(C)cc1[O-] ZINC000799896071 630240571 /nfs/dbraw/zinc/24/05/71/630240571.db2.gz UOIWWBUXDOVENI-SREVYHEPSA-N -1 1 284.359 3.201 20 30 CGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccsc2)c(O)c1 ZINC000806558931 630566773 /nfs/dbraw/zinc/56/67/73/630566773.db2.gz POYTZUYJYJJCHY-RJRFIUFISA-N -1 1 274.297 3.048 20 30 CGEDMM C#C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)(C)C ZINC000813778955 631459602 /nfs/dbraw/zinc/45/96/02/631459602.db2.gz BZDCBLICBKCWGR-LBPRGKRZSA-N -1 1 299.292 3.189 20 30 CGEDMM CCC(CC)(CC)CN=Nc1nc(C)cc(=O)[n-]1 ZINC000814681238 631621007 /nfs/dbraw/zinc/62/10/07/631621007.db2.gz DGGHKBNCOLCRAD-UHFFFAOYSA-N -1 1 250.346 3.105 20 30 CGEDMM CCC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cn1 ZINC000814768448 631635723 /nfs/dbraw/zinc/63/57/23/631635723.db2.gz BWYRYJPYFBKGDB-UHFFFAOYSA-N -1 1 287.294 3.145 20 30 CGEDMM C#CC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000843709165 635760107 /nfs/dbraw/zinc/76/01/07/635760107.db2.gz WECJWPDXTDIBCB-UHFFFAOYSA-N -1 1 279.339 3.031 20 30 CGEDMM C=C(C)CO[N-]C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000846533208 636192982 /nfs/dbraw/zinc/19/29/82/636192982.db2.gz CFOPCDCBLNGBKO-ZDUSSCGKSA-N -1 1 289.375 3.253 20 30 CGEDMM COc1ccccc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000078711580 640335191 /nfs/dbraw/zinc/33/51/91/640335191.db2.gz KZGOEATXZZUJFA-SOFGYWHQSA-N -1 1 270.284 3.003 20 30 CGEDMM COc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1F ZINC000195503023 640587992 /nfs/dbraw/zinc/58/79/92/640587992.db2.gz FMFWIHARFVTXNI-FNORWQNLSA-N -1 1 288.274 3.142 20 30 CGEDMM CN1CCc2cc(/C=C3\Cc4cc([O-])ccc4C3=O)ccc21 ZINC000588535056 799706470 /nfs/dbraw/zinc/70/64/70/799706470.db2.gz FIKSEHIFIKQGOU-OQLLNIDSSA-N -1 1 291.350 3.207 20 30 CGEDMM C=C(CC(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001123594348 802956851 /nfs/dbraw/zinc/95/68/51/802956851.db2.gz IDUKARDBEYWUTQ-UHFFFAOYSA-N -1 1 285.347 3.323 20 30 CGEDMM COc1nccc(SC)c1-c1ccccc1C=N[O-] ZINC001243730242 802970170 /nfs/dbraw/zinc/97/01/70/802970170.db2.gz SZGRQZWKQPCYJX-UHFFFAOYSA-N -1 1 274.345 3.287 20 30 CGEDMM Cc1cc(-c2ccc3[nH]c(C#N)cc3n2)cc([O-])c1F ZINC001244507426 803411907 /nfs/dbraw/zinc/41/19/07/803411907.db2.gz NKLHSGWVDAEFMY-UHFFFAOYSA-N -1 1 267.263 3.255 20 30 CGEDMM COc1cccc(-c2cc(C)c(F)c([O-])c2)c1C#N ZINC001244521943 803415236 /nfs/dbraw/zinc/41/52/36/803415236.db2.gz ZJIGVGXSPPQTHH-UHFFFAOYSA-N -1 1 257.264 3.387 20 30 CGEDMM Cc1cc(-c2cccc(CC#N)n2)cc(Cl)c1[O-] ZINC001244531560 803422541 /nfs/dbraw/zinc/42/25/41/803422541.db2.gz LVYNGFNSSFUXIG-UHFFFAOYSA-N -1 1 258.708 3.482 20 30 CGEDMM COc1cc(-c2cccc(/C=N/[O-])c2)c(Cl)cn1 ZINC001245040742 803618896 /nfs/dbraw/zinc/61/88/96/803618896.db2.gz LNPCBDJPIASQTP-FRKPEAEDSA-N -1 1 262.696 3.219 20 30 CGEDMM N#Cc1cccc(Nc2ccc([O-])c(F)c2F)c1F ZINC001212008924 814966958 /nfs/dbraw/zinc/96/69/58/814966958.db2.gz HOZJRVSNVJNTOB-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM C=C(C(=O)Nc1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC001144208586 804954428 /nfs/dbraw/zinc/95/44/28/804954428.db2.gz GHLIGUMUDCDVLT-UHFFFAOYSA-N -1 1 299.170 3.468 20 30 CGEDMM C=CCN(Cc1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC001249779954 805242690 /nfs/dbraw/zinc/24/26/90/805242690.db2.gz KGJYLXPVQWUWEB-UHFFFAOYSA-N -1 1 283.318 3.450 20 30 CGEDMM Cc1cccc2[nH]c(C(=O)Nc3ccc(C#N)cc3[O-])cc21 ZINC001151076956 805280622 /nfs/dbraw/zinc/28/06/22/805280622.db2.gz DFJDURAAXNWUDD-UHFFFAOYSA-N -1 1 291.310 3.306 20 30 CGEDMM [O-]/N=C/c1cc(NC2CSC2)cc(C(F)(F)F)c1 ZINC001168364862 807394697 /nfs/dbraw/zinc/39/46/97/807394697.db2.gz VNGDFPICGVXIFK-SYZQJQIISA-N -1 1 276.283 3.041 20 30 CGEDMM N#C[C@@H]1CC=C(Nc2cc([O-])c(F)c(F)c2)CC1 ZINC001212863861 815164247 /nfs/dbraw/zinc/16/42/47/815164247.db2.gz IQGRLWQQRFWNMQ-MRVPVSSYSA-N -1 1 250.248 3.290 20 30 CGEDMM N#Cc1cccc(F)c1Nc1c(F)ccc([O-])c1F ZINC001175265795 809331546 /nfs/dbraw/zinc/33/15/46/809331546.db2.gz PEOHJEZJWPWIJD-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM C#Cc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001175978420 809590164 /nfs/dbraw/zinc/59/01/64/809590164.db2.gz DYQHIZHFZIQYMU-UHFFFAOYSA-N -1 1 275.311 3.303 20 30 CGEDMM Cc1ccc(Nc2ccc(C#N)cc2[O-])cc1[N+](=O)[O-] ZINC001213669986 815321550 /nfs/dbraw/zinc/32/15/50/815321550.db2.gz BOIBWGGGBGSFFI-UHFFFAOYSA-N -1 1 269.260 3.224 20 30 CGEDMM N#Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c([O-])c1 ZINC001181362508 810048937 /nfs/dbraw/zinc/04/89/37/810048937.db2.gz JEJGVBXUULGCTN-UHFFFAOYSA-N -1 1 283.331 3.067 20 30 CGEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c([O-])c1 ZINC001182283465 810101697 /nfs/dbraw/zinc/10/16/97/810101697.db2.gz FKFZBCVHPZYUAA-QWHCGFSZSA-N -1 1 296.301 3.145 20 30 CGEDMM O=C(COCC1CCCC1)N([O-])Cc1ccccc1Cl ZINC001184283382 810189243 /nfs/dbraw/zinc/18/92/43/810189243.db2.gz HQLDMFOSKZDSIL-UHFFFAOYSA-N -1 1 297.782 3.265 20 30 CGEDMM C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001186022217 810310209 /nfs/dbraw/zinc/31/02/09/810310209.db2.gz RQMTWDZLNLAFBQ-ZDUSSCGKSA-N -1 1 294.354 3.471 20 30 CGEDMM C[C@@H](NC(=O)Nc1c([O-])cccc1C#N)C1CCCCC1 ZINC001186344537 810330505 /nfs/dbraw/zinc/33/05/05/810330505.db2.gz KOOZMIFHWJWHGU-LLVKDONJSA-N -1 1 287.363 3.354 20 30 CGEDMM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190499311 810631005 /nfs/dbraw/zinc/63/10/05/810631005.db2.gz AWHYLCPPZDXHKJ-UHFFFAOYSA-N -1 1 297.379 3.346 20 30 CGEDMM N#Cc1cccc([O-])c1NC(=O)NC1CCCCCC1 ZINC001191273859 810695623 /nfs/dbraw/zinc/69/56/23/810695623.db2.gz XDBYGVWEXFNSOX-UHFFFAOYSA-N -1 1 273.336 3.108 20 30 CGEDMM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)o2)c([O-])c1 ZINC001194418264 811072735 /nfs/dbraw/zinc/07/27/35/811072735.db2.gz SLNZDHNOATWCHV-UHFFFAOYSA-N -1 1 296.204 3.128 20 30 CGEDMM COc1ccc(Nc2cc(Cl)ncc2[O-])cc1C#N ZINC001214997162 815474504 /nfs/dbraw/zinc/47/45/04/815474504.db2.gz SIRPGHIKJOXKNJ-UHFFFAOYSA-N -1 1 275.695 3.064 20 30 CGEDMM N#Cc1ccc(NC(=O)Nc2ccccc2F)c([O-])c1 ZINC001202002401 811994664 /nfs/dbraw/zinc/99/46/64/811994664.db2.gz UEZUAIMDIFMMPC-UHFFFAOYSA-N -1 1 271.251 3.047 20 30 CGEDMM N#Cc1cc(N)ccc1Nc1cccc(Cl)c1[O-] ZINC001210223831 814350018 /nfs/dbraw/zinc/35/00/18/814350018.db2.gz XOFYHBXZENJQCV-UHFFFAOYSA-N -1 1 259.696 3.243 20 30 CGEDMM Cc1cc(C#N)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001210387224 814437207 /nfs/dbraw/zinc/43/72/07/814437207.db2.gz KXBDAETVHXEFBE-UHFFFAOYSA-N -1 1 256.309 3.291 20 30 CGEDMM CCCOC[C@H](C)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223594197 816655933 /nfs/dbraw/zinc/65/59/33/816655933.db2.gz UNVWJWPRZFISFA-ZSNVJIKNSA-N -1 1 271.744 3.308 20 30 CGEDMM N#CCc1cc(-c2ccc(F)c([O-])c2)ccc1C#N ZINC001243049452 823226630 /nfs/dbraw/zinc/22/66/30/823226630.db2.gz PLRDZQVKQFPLPK-UHFFFAOYSA-N -1 1 252.248 3.136 20 30 CGEDMM C=CCC(CC=C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678248 817138677 /nfs/dbraw/zinc/13/86/77/817138677.db2.gz ZIEOBNCZFRGUBM-UHFFFAOYSA-N -1 1 262.305 3.200 20 30 CGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)c1ncccn1 ZINC001227120920 817564438 /nfs/dbraw/zinc/56/44/38/817564438.db2.gz WWNDXBXWQJYVPR-GFCCVEGCSA-N -1 1 298.342 3.253 20 30 CGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCOC[C@H]1C ZINC001227121284 817565090 /nfs/dbraw/zinc/56/50/90/817565090.db2.gz ARHNSVZQIBLRHX-BDJLRTHQSA-N -1 1 290.359 3.127 20 30 CGEDMM CCC[C@@H](Oc1ccc([O-])c(C#N)c1C#N)C(C)C ZINC001227618469 817684899 /nfs/dbraw/zinc/68/48/99/817684899.db2.gz LILJGIOZUXHMCK-CQSZACIVSA-N -1 1 258.321 3.339 20 30 CGEDMM N#Cc1ccc([O-])cc1OC[C@@H]1CCc2ccccc2O1 ZINC001228004753 817781443 /nfs/dbraw/zinc/78/14/43/817781443.db2.gz FUZFLLSRHZXJNU-HNNXBMFYSA-N -1 1 281.311 3.036 20 30 CGEDMM Cc1ccccc1OC[C@H](C)Oc1cc([O-])ccc1C#N ZINC001228006456 817781550 /nfs/dbraw/zinc/78/15/50/817781550.db2.gz CABVILRRPFAJKV-ZDUSSCGKSA-N -1 1 283.327 3.419 20 30 CGEDMM C[C@@H](COc1ccccc1)Oc1cc([O-])ccc1C#N ZINC001228004741 817781722 /nfs/dbraw/zinc/78/17/22/817781722.db2.gz FNOLBVHRRJGPBX-LBPRGKRZSA-N -1 1 269.300 3.110 20 30 CGEDMM COc1cccc(OC[C@@H](C)Oc2cc([O-])ccc2C#N)c1 ZINC001228007385 817783093 /nfs/dbraw/zinc/78/30/93/817783093.db2.gz 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[O-]N=Cc1ccccc1-c1ccc(OC(F)(F)F)nc1 ZINC001242780119 823131130 /nfs/dbraw/zinc/13/11/30/823131130.db2.gz AWHVGLNCBVCREH-UHFFFAOYSA-N -1 1 282.221 3.455 20 30 CGEDMM [O-]/N=C(\OC1CC=CC1)c1ccccc1Br ZINC001223884548 816696287 /nfs/dbraw/zinc/69/62/87/816696287.db2.gz MTVUHYSJSPCVEQ-OWBHPGMISA-N -1 1 282.137 3.320 20 30 CGEDMM C=C[C@@H](CCCCCCC)OCC[P@](=O)([O-])O ZINC001224601713 816831709 /nfs/dbraw/zinc/83/17/09/816831709.db2.gz JYOBFIFIYTWJHZ-LBPRGKRZSA-N -1 1 264.302 3.096 20 30 CGEDMM COc1cc(-c2ccc(F)c([O-])c2)cc(F)c1C#N ZINC001243047432 823224983 /nfs/dbraw/zinc/22/49/83/823224983.db2.gz SHJVERKWEIUCSN-UHFFFAOYSA-N -1 1 261.227 3.218 20 30 CGEDMM COC(=O)c1ccc(F)cc1-c1cccc(/C=N/[O-])c1 ZINC001243121268 823253736 /nfs/dbraw/zinc/25/37/36/823253736.db2.gz QDHREWIWNWRIMU-RQZCQDPDSA-N -1 1 273.263 3.087 20 30 CGEDMM COc1cccc([C@H](C)Oc2ccc([O-])c(C#N)c2C#N)c1 ZINC001227617879 817684311 /nfs/dbraw/zinc/68/43/11/817684311.db2.gz IJHYFAUZEYRKDD-NSHDSACASA-N -1 1 294.310 3.284 20 30 CGEDMM 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30 CGEDMM Cc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])o1 ZINC000812442167 605098387 /nfs/dbraw/zinc/09/83/87/605098387.db2.gz SGNRSVOFJFOWED-UHFFFAOYSA-N -1 1 258.277 3.122 20 30 CGEDMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc(C#N)c1 ZINC000833680029 605124789 /nfs/dbraw/zinc/12/47/89/605124789.db2.gz BMLHFTVDSJZZOX-LLVKDONJSA-N -1 1 298.342 3.263 20 30 CGEDMM C=CCCC[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823894362 608588427 /nfs/dbraw/zinc/58/84/27/608588427.db2.gz OCGSZGJMXXQYSW-VIFPVBQESA-N -1 1 292.774 3.072 20 30 CGEDMM C=CCCC[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823894362 608588429 /nfs/dbraw/zinc/58/84/29/608588429.db2.gz OCGSZGJMXXQYSW-VIFPVBQESA-N -1 1 292.774 3.072 20 30 CGEDMM C#CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000804831342 617861153 /nfs/dbraw/zinc/86/11/53/617861153.db2.gz JKHVOXHVOLGBHZ-UHFFFAOYSA-N -1 1 299.757 3.321 20 30 CGEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000255517014 618641170 /nfs/dbraw/zinc/64/11/70/618641170.db2.gz JBFISTGXMGYTLD-WAPJZHGLSA-N -1 1 272.275 3.436 20 30 CGEDMM O=C1c2ccccc2OC/C1=C\c1ccc([O-])c(F)c1 ZINC000255547303 618662441 /nfs/dbraw/zinc/66/24/41/618662441.db2.gz YSMNMAJZOWZNOB-YRNVUSSQSA-N -1 1 270.259 3.190 20 30 CGEDMM O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc(F)ccc1[O-] ZINC000255561739 618682249 /nfs/dbraw/zinc/68/22/49/618682249.db2.gz LFQDMNQKCZMRML-IWQZZHSRSA-N -1 1 294.228 3.411 20 30 CGEDMM CCn1cc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])cn1 ZINC000799895335 620309342 /nfs/dbraw/zinc/30/93/42/620309342.db2.gz PBTVOCHLTNZQCK-AATRIKPKSA-N -1 1 270.332 3.122 20 30 CGEDMM C=CCCO[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188334 621886393 /nfs/dbraw/zinc/88/63/93/621886393.db2.gz BCISTHRRLAQDOO-LLVKDONJSA-N -1 1 283.755 3.039 20 30 CGEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCC=CCCC2)c1 ZINC000913667016 623555117 /nfs/dbraw/zinc/55/51/17/623555117.db2.gz SRMHALBCIRFWPB-CQSZACIVSA-N -1 1 270.332 3.105 20 30 CGEDMM N#Cc1ccc(NN=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000921257953 624577151 /nfs/dbraw/zinc/57/71/51/624577151.db2.gz 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/nfs/dbraw/zinc/20/79/87/627207987.db2.gz WDQUBTHREIZGSU-WAYWQWQTSA-N -1 1 290.340 3.367 20 30 CGEDMM Cc1ccc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)cc1 ZINC000765544847 627258208 /nfs/dbraw/zinc/25/82/08/627258208.db2.gz XJTRCFBYXCSPAR-UHFFFAOYSA-N -1 1 294.314 3.016 20 30 CGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cc(F)c(F)cc1F ZINC000767720611 627432634 /nfs/dbraw/zinc/43/26/34/627432634.db2.gz GIOGKYXBVBLNMJ-LNKIKWGQSA-N -1 1 292.212 3.426 20 30 CGEDMM O=C(/C=C\c1scnc1C1CC1)c1cc(O)ccc1[O-] ZINC000782346645 628640577 /nfs/dbraw/zinc/64/05/77/628640577.db2.gz BRTNGPOOFQEFJZ-WAYWQWQTSA-N -1 1 287.340 3.328 20 30 CGEDMM CCCCCCCCCS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000790167754 629188617 /nfs/dbraw/zinc/18/86/17/629188617.db2.gz KGZDKAJAGZKMGF-UHFFFAOYSA-N -1 1 299.440 3.206 20 30 CGEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1ncccc1F ZINC000794983525 629613063 /nfs/dbraw/zinc/61/30/63/629613063.db2.gz HLQJTCDOTLEEGE-UHFFFAOYSA-N -1 1 283.665 3.165 20 30 CGEDMM Cc1cc(C)c(C(=O)/C=C/c2cn(C3CC3)cn2)c([O-])c1 ZINC000865223734 630029271 /nfs/dbraw/zinc/02/92/71/630029271.db2.gz LLMZZDUPVCBKFE-ZZXKWVIFSA-N -1 1 282.343 3.437 20 30 CGEDMM COc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1C ZINC000812446301 631261741 /nfs/dbraw/zinc/26/17/41/631261741.db2.gz XEKFBZVDTSNZKV-UHFFFAOYSA-N -1 1 284.315 3.148 20 30 CGEDMM C=CCO[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000837048888 634847861 /nfs/dbraw/zinc/84/78/61/634847861.db2.gz ZYJHZVZDUAEHJC-QMMMGPOBSA-N -1 1 274.147 3.331 20 30 CGEDMM Cc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])c(C)n1 ZINC000814769366 631636771 /nfs/dbraw/zinc/63/67/71/631636771.db2.gz YVJIQIAVQJSDAO-UHFFFAOYSA-N -1 1 283.331 3.233 20 30 CGEDMM C[C@H](Nc1cnn(CC2CC2)c1)c1cccc(C#N)c1[O-] ZINC000866325624 633082333 /nfs/dbraw/zinc/08/23/33/633082333.db2.gz MTBLWILDNVYDAY-NSHDSACASA-N -1 1 282.347 3.043 20 30 CGEDMM CC(C)n1cc(C(=O)/C=C/c2ccc([O-])c(F)c2)cn1 ZINC000121143262 633209317 /nfs/dbraw/zinc/20/93/17/633209317.db2.gz NHUVOUVAXBLVFX-HWKANZROSA-N -1 1 274.295 3.205 20 30 CGEDMM CCCC[C@@H](CC)C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870693196 633629049 /nfs/dbraw/zinc/62/90/49/633629049.db2.gz YOYPHOWSPRLIPK-CYBMUJFWSA-N -1 1 260.337 3.185 20 30 CGEDMM Cn1ncc(C2CC2)c1/C=C\C(=O)c1cccc([O-])c1F ZINC000871671621 633819594 /nfs/dbraw/zinc/81/95/94/633819594.db2.gz GQOOGNSLYREMNQ-FPLPWBNLSA-N -1 1 286.306 3.038 20 30 CGEDMM C=CC(C)(C)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000881459483 636112098 /nfs/dbraw/zinc/11/20/98/636112098.db2.gz ANEVVIAHEAYCJX-UHFFFAOYSA-N -1 1 267.756 3.264 20 30 CGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccccc2)c1 ZINC000026835661 636548102 /nfs/dbraw/zinc/54/81/02/636548102.db2.gz IFYSEURGMQKWJS-VQHVLOKHSA-N -1 1 254.285 3.297 20 30 CGEDMM Cn1c2cc(Cl)ccc2nc1-c1ccc(C#N)cc1[O-] ZINC001251332315 805883615 /nfs/dbraw/zinc/88/36/15/805883615.db2.gz PJEPKTHRYLLOQC-UHFFFAOYSA-N -1 1 283.718 3.471 20 30 CGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc(F)c1 ZINC000588535185 799707811 /nfs/dbraw/zinc/70/78/11/799707811.db2.gz SYWHNFVNAFNPIG-SDQBBNPISA-N -1 1 254.260 3.354 20 30 CGEDMM COc1cccc(OC)c1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000588535298 799708586 /nfs/dbraw/zinc/70/85/86/799708586.db2.gz ZKFXBBSOFCUVAX-BENRWUELSA-N -1 1 296.322 3.232 20 30 CGEDMM Cc1cc(-c2cc3nc[nH]c3c(C#N)n2)cc(Cl)c1[O-] ZINC001244532573 803423277 /nfs/dbraw/zinc/42/32/77/803423277.db2.gz VUTDPBRDWSQVPU-UHFFFAOYSA-N -1 1 284.706 3.164 20 30 CGEDMM [O-]N=Cc1ccccc1-c1c[nH]c2ncc(F)cc12 ZINC001245433768 803737652 /nfs/dbraw/zinc/73/76/52/803737652.db2.gz XMAXLIUYEDKGTD-UHFFFAOYSA-N -1 1 255.252 3.177 20 30 CGEDMM C#CCCc1cc(=O)n(-c2ccc(C)c(Cl)c2)[n-]1 ZINC001245952189 804085154 /nfs/dbraw/zinc/08/51/54/804085154.db2.gz SUSZDYQNHQYIQS-UHFFFAOYSA-N -1 1 260.724 3.106 20 30 CGEDMM CN(Cc1ccc(C#N)cc1)Cc1c(F)cc([O-])cc1F ZINC001144553375 805002782 /nfs/dbraw/zinc/00/27/82/805002782.db2.gz BBWFRRHYXNDRBY-UHFFFAOYSA-N -1 1 288.297 3.174 20 30 CGEDMM C=C(C)CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001262638040 807883749 /nfs/dbraw/zinc/88/37/49/807883749.db2.gz MCJCFYBBSBMGIM-UHFFFAOYSA-N -1 1 253.729 3.018 20 30 CGEDMM COc1ccc(C#N)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213381970 815273911 /nfs/dbraw/zinc/27/39/11/815273911.db2.gz SKDSLRCOTCDCOG-UHFFFAOYSA-N -1 1 276.242 3.294 20 30 CGEDMM C#CC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001182637969 810118497 /nfs/dbraw/zinc/11/84/97/810118497.db2.gz GIDRRUWGGWXIGT-UHFFFAOYSA-N -1 1 271.238 3.009 20 30 CGEDMM C[C@@H](NC(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001185023766 810229828 /nfs/dbraw/zinc/22/98/28/810229828.db2.gz SNXYTKZBURREOZ-LLVKDONJSA-N -1 1 281.315 3.147 20 30 CGEDMM N#Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2)c([O-])c1 ZINC001185098205 810234798 /nfs/dbraw/zinc/23/47/98/810234798.db2.gz SUKDLNPMYLYJAZ-UHFFFAOYSA-N -1 1 289.241 3.186 20 30 CGEDMM C[C@@H](NC(=O)Nc1ccc([O-])c(C#N)c1)C1CCCCC1 ZINC001186345501 810330188 /nfs/dbraw/zinc/33/01/88/810330188.db2.gz XPFZFVUZKNQJDL-LLVKDONJSA-N -1 1 287.363 3.354 20 30 CGEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cccc(F)n1 ZINC001188705101 810506965 /nfs/dbraw/zinc/50/69/65/810506965.db2.gz VHRFMEZJTFUMHV-UHFFFAOYSA-N -1 1 281.246 3.091 20 30 CGEDMM CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)n2)c([O-])c1 ZINC001192313752 810785902 /nfs/dbraw/zinc/78/59/02/810785902.db2.gz ICLZVJRJIRICKI-UHFFFAOYSA-N -1 1 295.342 3.209 20 30 CGEDMM C[C@@H](NC(=O)Nc1ccc([O-])c(C#N)c1)c1ccc(F)cc1 ZINC001193143474 810859019 /nfs/dbraw/zinc/85/90/19/810859019.db2.gz HMKGZFXWDCTGNX-SNVBAGLBSA-N -1 1 299.305 3.286 20 30 CGEDMM COc1ccc(Nc2cc(F)c([O-])cc2F)cc1C#N ZINC001215004647 815475349 /nfs/dbraw/zinc/47/53/49/815475349.db2.gz TUVNYOPRDXIFEM-UHFFFAOYSA-N -1 1 276.242 3.294 20 30 CGEDMM Cc1ccc(-c2nc(-c3cccc(C#N)c3)no2)c([O-])c1 ZINC001215297329 815504437 /nfs/dbraw/zinc/50/44/37/815504437.db2.gz WUGQSNONVWGBBP-UHFFFAOYSA-N -1 1 277.283 3.289 20 30 CGEDMM N#Cc1ccc(Nc2cc(F)c([O-])cc2F)c(C#N)c1 ZINC001215576786 815540019 /nfs/dbraw/zinc/54/00/19/815540019.db2.gz IXNUDVMDWOMQSM-UHFFFAOYSA-N -1 1 271.226 3.157 20 30 CGEDMM N#Cc1ncc(F)cc1-c1ccc([O-])cc1C(F)(F)F ZINC001205093008 812859914 /nfs/dbraw/zinc/85/99/14/812859914.db2.gz VDACDVQZBNHTDS-UHFFFAOYSA-N -1 1 282.196 3.484 20 30 CGEDMM N#Cc1cnn(-c2ccccc2)c1Nc1cc([O-])cc(F)c1 ZINC001206766241 813429287 /nfs/dbraw/zinc/42/92/87/813429287.db2.gz DJSQVHFNPHSPMF-UHFFFAOYSA-N -1 1 294.289 3.332 20 30 CGEDMM C[C@@H]1CC(=O)C=C(Nc2cccc([O-])c2Br)C1 ZINC001210777885 814623216 /nfs/dbraw/zinc/62/32/16/814623216.db2.gz OKSPIVIRALLYGW-QMMMGPOBSA-N -1 1 296.164 3.450 20 30 CGEDMM Cc1cc(C#N)cc(C#N)c1Nc1cc([O-])ccc1F ZINC001210803166 814635667 /nfs/dbraw/zinc/63/56/67/814635667.db2.gz YNWVUIWRWMABRE-UHFFFAOYSA-N -1 1 267.263 3.327 20 30 CGEDMM N#Cc1nc2[nH]ccc2cc1-c1cccc([O-])c1Cl ZINC001242801006 823137264 /nfs/dbraw/zinc/13/72/64/823137264.db2.gz QUWVGJNDBSLICT-UHFFFAOYSA-N -1 1 269.691 3.412 20 30 CGEDMM N#Cc1ccc(F)c(F)c1Nc1ccc(F)c([O-])c1 ZINC001211219716 814853739 /nfs/dbraw/zinc/85/37/39/814853739.db2.gz SKRMIIWVPYQILW-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM COc1ccc(C#N)c(Nc2ccc(F)c([O-])c2)c1 ZINC001211218322 814854480 /nfs/dbraw/zinc/85/44/80/814854480.db2.gz 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CGEDMM CO/N=C/c1cc(-c2cc(F)c([O-])cc2F)ccc1F ZINC001222082596 816343863 /nfs/dbraw/zinc/34/38/63/816343863.db2.gz GFRLWLDSFIHPCJ-CNHKJKLMSA-N -1 1 281.233 3.457 20 30 CGEDMM O=C1CCC(O/C(=N\[O-])c2ccc(Cl)cc2)CC1 ZINC001223597294 816655476 /nfs/dbraw/zinc/65/54/76/816655476.db2.gz RUNKJAKHCCANHI-SQFISAMPSA-N -1 1 267.712 3.004 20 30 CGEDMM [O-]/N=C(\O[C@H]1C=CCC1)c1ccccc1Br ZINC001223885929 816697766 /nfs/dbraw/zinc/69/77/66/816697766.db2.gz RRIBELGGSPUHFN-GCOCVTSNSA-N -1 1 282.137 3.320 20 30 CGEDMM N#Cc1ccc2ncc(-c3ccc(F)c([O-])c3)nc2c1 ZINC001243048226 823226127 /nfs/dbraw/zinc/22/61/27/823226127.db2.gz LHHFFEPSXFIYQK-UHFFFAOYSA-N -1 1 265.247 3.013 20 30 CGEDMM C=C[C@@H](CCCCCC)OCCCC[P@](=O)([O-])O ZINC001225019185 816935007 /nfs/dbraw/zinc/93/50/07/816935007.db2.gz UJZWNYLOWKEDLA-ZDUSSCGKSA-N -1 1 278.329 3.486 20 30 CGEDMM C#C[C@H](Oc1cc([O-])cc(O)c1C(C)=O)c1ccccc1 ZINC001225678633 817138494 /nfs/dbraw/zinc/13/84/94/817138494.db2.gz KCINTYQAEUBNAF-HNNXBMFYSA-N -1 1 282.295 3.054 20 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1 287.306 3.321 20 30 CGEDMM N#Cc1cc2cccnc2nc1-c1ccc(F)c([O-])c1 ZINC001243049679 823226356 /nfs/dbraw/zinc/22/63/56/823226356.db2.gz OCXVMAJQMMZLTH-UHFFFAOYSA-N -1 1 265.247 3.013 20 30 CGEDMM C=C(C)[C@@H]1CC=C(C)[C@H](OCCCC[P@](=O)([O-])O)C1 ZINC001225023523 816934544 /nfs/dbraw/zinc/93/45/44/816934544.db2.gz XCJSKIWIDONSEQ-ZIAGYGMSSA-N -1 1 288.324 3.262 20 30 CGEDMM C=C[C@@H](CCCC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674715 817137177 /nfs/dbraw/zinc/13/71/77/817137177.db2.gz KXWJIDXZEZYEJK-LBPRGKRZSA-N -1 1 264.321 3.424 20 30 CGEDMM COc1cccc2c1[C@H](Oc1cccc(/C=N/[O-])c1)CCO2 ZINC001226115255 817276796 /nfs/dbraw/zinc/27/67/96/817276796.db2.gz ZUJCHHAPCCGLGB-YCPFAOKUSA-N -1 1 299.326 3.406 20 30 CGEDMM C=C(C)C[C@H](Oc1[n-]c(=S)ncc1OC)C(=C)C ZINC001226244749 817310559 /nfs/dbraw/zinc/31/05/59/817310559.db2.gz GIWMMPSYHFWKDN-JTQLQIEISA-N -1 1 266.366 3.064 20 30 CGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)c1cncnc1 ZINC001227120145 817564961 /nfs/dbraw/zinc/56/49/61/817564961.db2.gz FXOZBMSYYHDXQC-GFCCVEGCSA-N -1 1 298.342 3.253 20 30 CGEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@H](C)OCC ZINC001227123165 817565862 /nfs/dbraw/zinc/56/58/62/817565862.db2.gz SMZBDSZPCGFOQV-NSHDSACASA-N -1 1 278.348 3.127 20 30 CGEDMM C=C[C@@H](CCCC)Oc1cc([O-])ccc1C(=O)COC ZINC001227171919 817580184 /nfs/dbraw/zinc/58/01/84/817580184.db2.gz IHZXBTITBFCKSE-ZDUSSCGKSA-N -1 1 278.348 3.345 20 30 CGEDMM CCCC[C@H](CC)Oc1ccc([O-])c(C#N)c1C#N ZINC001227617922 817684216 /nfs/dbraw/zinc/68/42/16/817684216.db2.gz JFJDAMKCTCGPPZ-NSHDSACASA-N -1 1 258.321 3.483 20 30 CGEDMM C=C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1 ZINC001227622652 817684790 /nfs/dbraw/zinc/68/47/90/817684790.db2.gz MOUQWBPJULXVOY-MRXNPFEDSA-N -1 1 276.295 3.442 20 30 CGEDMM C=C(C)C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)C(=C)C ZINC001227715908 817702034 /nfs/dbraw/zinc/70/20/34/817702034.db2.gz IFZPXHGZGBWQLS-PWSUYJOCSA-N -1 1 276.336 3.063 20 30 CGEDMM C=C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1 ZINC001227715281 817702328 /nfs/dbraw/zinc/70/23/28/817702328.db2.gz ACNONKKXCNNLLE-MFKMUULPSA-N -1 1 284.315 3.080 20 30 CGEDMM N#Cc1ccc([O-])cc1O[C@@H]1CCc2ccccc2C1 ZINC001228006721 817781827 /nfs/dbraw/zinc/78/18/27/817781827.db2.gz HASCATCYKJZQDN-MRXNPFEDSA-N -1 1 265.312 3.200 20 30 CGEDMM CC[C@@H](C#Cc1ccccc1)Oc1cc([O-])ccc1C#N ZINC001228006537 817781919 /nfs/dbraw/zinc/78/19/19/817781919.db2.gz CNTYFOMOHSFSLX-KRWDZBQOSA-N -1 1 277.323 3.473 20 30 CGEDMM N#Cc1ccc([O-])cc1O[C@@H]1CCc2c1nccc2Cl ZINC001228005997 817781961 /nfs/dbraw/zinc/78/19/61/817781961.db2.gz VYJMFZKVVWLVRW-CYBMUJFWSA-N -1 1 286.718 3.379 20 30 CGEDMM N#Cc1ccc([O-])cc1O[C@H](c1cccnc1)C(F)(F)F ZINC001228006592 817782013 /nfs/dbraw/zinc/78/20/13/817782013.db2.gz FDTWAEMGNVXIRL-CYBMUJFWSA-N -1 1 294.232 3.341 20 30 CGEDMM CCCCCCCC[C@H](C)Oc1nc(C(=O)OC)n[n-]1 ZINC001228310161 817873218 /nfs/dbraw/zinc/87/32/18/817873218.db2.gz CMRKGHQTPQKRIZ-NSHDSACASA-N -1 1 283.372 3.109 20 30 CGEDMM CCCCCCCC[C@H](C)Oc1n[n-]c(C(=O)OC)n1 ZINC001228310161 817873226 /nfs/dbraw/zinc/87/32/26/817873226.db2.gz CMRKGHQTPQKRIZ-NSHDSACASA-N -1 1 283.372 3.109 20 30 CGEDMM C#C[C@@H](C)Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231229368 818063116 /nfs/dbraw/zinc/06/31/16/818063116.db2.gz BBJMLUITEGHPCC-GFCCVEGCSA-N -1 1 266.296 3.024 20 30 CGEDMM C=CC[C@H](CCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259978 818066097 /nfs/dbraw/zinc/06/60/97/818066097.db2.gz QNVLYIYSUZWBKZ-SNVBAGLBSA-N -1 1 266.297 3.127 20 30 CGEDMM N#Cc1ccc2c(c1)CCN(Cc1cccc([O-])c1Cl)C2 ZINC001232784883 818438791 /nfs/dbraw/zinc/43/87/91/818438791.db2.gz XVLKEIAMBUPTDE-UHFFFAOYSA-N -1 1 298.773 3.476 20 30 CGEDMM CCCC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC001233076716 818516458 /nfs/dbraw/zinc/51/64/58/818516458.db2.gz DSRZOWOPUVXERA-UHFFFAOYSA-N -1 1 268.307 3.186 20 30 CGEDMM CCCCN(CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC001233076716 818516464 /nfs/dbraw/zinc/51/64/64/818516464.db2.gz DSRZOWOPUVXERA-UHFFFAOYSA-N -1 1 268.307 3.186 20 30 CGEDMM CCCCCCC[C@@H](C)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233756725 818699481 /nfs/dbraw/zinc/69/94/81/818699481.db2.gz RSWLJWHMERNRJF-LLVKDONJSA-N -1 1 296.367 3.097 20 30 CGEDMM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccco1 ZINC001233806830 818710272 /nfs/dbraw/zinc/71/02/72/818710272.db2.gz IIMKYZJZEYHLBS-KXUVPBGPSA-N -1 1 261.277 3.236 20 30 CGEDMM C=C(C)C[C@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(=C)C ZINC001234607090 818891227 /nfs/dbraw/zinc/89/12/27/818891227.db2.gz XLJWAXVJZGLGPC-LBPRGKRZSA-N -1 1 295.310 3.003 20 30 CGEDMM C[C@H](COCc1ccccc1)Oc1ccccc1C=N[O-] ZINC001234819306 818925779 /nfs/dbraw/zinc/92/57/79/818925779.db2.gz KKMLYLHJZDBFOJ-CQSZACIVSA-N -1 1 285.343 3.479 20 30 CGEDMM C[N@H+](Cc1sc(=O)[nH]c1Cl)Cc1cccc(C#N)c1 ZINC001237170501 819688200 /nfs/dbraw/zinc/68/82/00/819688200.db2.gz YASPYGDKCHZZNT-UHFFFAOYSA-N -1 1 293.779 3.006 20 30 CGEDMM COc1c(F)ccc(-c2cccc(/C=N/[O-])c2)c1F ZINC001243510623 823426315 /nfs/dbraw/zinc/42/63/15/823426315.db2.gz XJOYJCLEOFZFND-CAOOACKPSA-N -1 1 263.243 3.449 20 30 CGEDMM [O-]N=Cc1ccccc1-c1cccc(CO)c1Cl ZINC001243711124 823497582 /nfs/dbraw/zinc/49/75/82/823497582.db2.gz MMOSSPBNQAYFBU-UHFFFAOYSA-N -1 1 261.708 3.307 20 30 CGEDMM N#Cc1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242126508 822887421 /nfs/dbraw/zinc/88/74/21/822887421.db2.gz MTPGDYOUIIZNCY-UHFFFAOYSA-N -1 1 264.206 3.345 20 30 CGEDMM Cc1cc(-c2ccc([O-])c(C#N)c2)nc(C(F)(F)F)n1 ZINC001242561570 823032690 /nfs/dbraw/zinc/03/26/90/823032690.db2.gz ACHCUVVPVFLZEJ-UHFFFAOYSA-N -1 1 279.221 3.048 20 30 CGEDMM CC(C)(C)OC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)nc1 ZINC001242563391 823033371 /nfs/dbraw/zinc/03/33/71/823033371.db2.gz XMRHPCCEXCITNE-UHFFFAOYSA-N -1 1 296.326 3.281 20 30 CGEDMM N#Cc1cc(-c2cc(F)ncc2C2CC2)ccc1[O-] ZINC001242563214 823033765 /nfs/dbraw/zinc/03/37/65/823033765.db2.gz BPQDLCBOGYSTMI-UHFFFAOYSA-N -1 1 254.264 3.342 20 30 CGEDMM Cc1nc(-c2ccc(-c3ccc([O-])c(C#N)c3)cc2)no1 ZINC001242564373 823034308 /nfs/dbraw/zinc/03/43/08/823034308.db2.gz ZRMAZWJAEMSTGG-UHFFFAOYSA-N -1 1 277.283 3.289 20 30 CGEDMM N#Cc1cc(-c2cccc3ccc(=O)oc32)ccc1[O-] ZINC001242564548 823034354 /nfs/dbraw/zinc/03/43/54/823034354.db2.gz GKBMGWYRTCLSGP-UHFFFAOYSA-N -1 1 263.252 3.037 20 30 CGEDMM N#Cc1ccc(Nc2cc(F)c([O-])cc2F)c(F)c1 ZINC001201573924 928280860 /nfs/dbraw/zinc/28/08/60/928280860.db2.gz JRKHKUVAKGRTPD-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM C=CCCC1(CNC(=O)c2ccc([O-])cn2)CCCC1 ZINC001453355665 937402075 /nfs/dbraw/zinc/40/20/75/937402075.db2.gz ISMGNMXOFWOZEU-UHFFFAOYSA-N -1 1 274.364 3.044 20 30 CGEDMM C#C[C@@H](CCCCC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134692 932102658 /nfs/dbraw/zinc/10/26/58/932102658.db2.gz IOTJFRVYBZWBRN-ZDUSSCGKSA-N -1 1 286.327 3.460 20 30 CGEDMM CC#CC[C@@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134270 932103704 /nfs/dbraw/zinc/10/37/04/932103704.db2.gz HFCRKGHHXUVEIW-GFCCVEGCSA-N -1 1 272.300 3.069 20 30 CGEDMM C#C[C@@H](CCCCC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397693 932145234 /nfs/dbraw/zinc/14/52/34/932145234.db2.gz KGKXKUHLNSZRNU-LBPRGKRZSA-N -1 1 263.293 3.261 20 30 CGEDMM C/C(=N\[O-])c1ccccc1O[C@@H](C)C(=O)OCCC(C)C ZINC001229736731 932476820 /nfs/dbraw/zinc/47/68/20/932476820.db2.gz ISAZIACCKOGBOF-VLURKWGBSA-N -1 1 293.363 3.241 20 30 CGEDMM N#Cc1cccc(NCc2ccc([O-])c(F)c2F)c1 ZINC001462028849 937613150 /nfs/dbraw/zinc/61/31/50/937613150.db2.gz PDGXEFXREGFHQQ-UHFFFAOYSA-N -1 1 260.243 3.154 20 30 CGEDMM C=CC(C=C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231051032 932666443 /nfs/dbraw/zinc/66/64/43/932666443.db2.gz WZRBMBKSRFQSCY-UHFFFAOYSA-N -1 1 270.119 3.384 20 30 CGEDMM C=CC(C=C)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231051032 932666445 /nfs/dbraw/zinc/66/64/45/932666445.db2.gz WZRBMBKSRFQSCY-UHFFFAOYSA-N -1 1 270.119 3.384 20 30 CGEDMM C=CCCCCCCCNC(=O)c1ccc([O-])cn1 ZINC001468700300 937730977 /nfs/dbraw/zinc/73/09/77/937730977.db2.gz JSULNEZQCXZDCU-UHFFFAOYSA-N -1 1 262.353 3.044 20 30 CGEDMM CCCCCCN(O)C(=O)c1cc(Cl)ccc1[O-] ZINC001472619893 937778257 /nfs/dbraw/zinc/77/82/57/937778257.db2.gz XRKJIVBOPNDXOG-UHFFFAOYSA-N -1 1 271.744 3.457 20 30 CGEDMM C=CCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001475225706 937882192 /nfs/dbraw/zinc/88/21/92/937882192.db2.gz GUDJSGUIBUREBL-UHFFFAOYSA-N -1 1 297.351 3.207 20 30 CGEDMM C=C(CC(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001529187548 938071670 /nfs/dbraw/zinc/07/16/70/938071670.db2.gz GJDMWLWMVSPPCB-UHFFFAOYSA-N -1 1 267.756 3.264 20 30 CGEDMM C=CC(C)(C)CCNC(=O)c1ncc2ccccc2c1[O-] ZINC001557641532 938211157 /nfs/dbraw/zinc/21/11/57/938211157.db2.gz KFFZRZOUCOWGRH-UHFFFAOYSA-N -1 1 284.359 3.273 20 30 CGEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC001586717105 963132536 /nfs/dbraw/zinc/13/25/36/963132536.db2.gz KZAPYZJDOVFBDS-BMIGLBTASA-N -1 1 292.766 3.248 20 30 CGEDMM C#C[C@@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(C)C ZINC001588377277 963267410 /nfs/dbraw/zinc/26/74/10/963267410.db2.gz KLTWKVKKVLCAJN-MRXNPFEDSA-N -1 1 297.354 3.392 20 30 CGEDMM Cc1cccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000590407584 346845452 /nfs/dbraw/zinc/84/54/52/346845452.db2.gz QSRFBFMYOHRQJT-UHFFFAOYSA-N -1 1 294.354 3.153 20 30 CGEDMM CC(C)[C@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC12CCCC2 ZINC000590890070 346884462 /nfs/dbraw/zinc/88/44/62/346884462.db2.gz BJOOZOUNWNAXLZ-MRXNPFEDSA-N -1 1 298.386 3.305 20 30 CGEDMM N#Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1Cl ZINC000133119685 346075685 /nfs/dbraw/zinc/07/56/85/346075685.db2.gz VIMHXSBIXJUFTB-UHFFFAOYSA-N -1 1 290.681 3.309 20 30 CGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C(C)(C)c1ccccc1 ZINC000586834480 346739935 /nfs/dbraw/zinc/73/99/35/346739935.db2.gz NRUIJIDVQBTGGT-UHFFFAOYSA-N -1 1 294.354 3.271 20 30 CGEDMM CCN(Cc1ccccc1C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168040 346785715 /nfs/dbraw/zinc/78/57/15/346785715.db2.gz UMIOAKMZJDBUBP-UHFFFAOYSA-N -1 1 294.354 3.235 20 30 CGEDMM CCC[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589177993 346787225 /nfs/dbraw/zinc/78/72/25/346787225.db2.gz ONJSPFIVQIYVMY-XJKSGUPXSA-N -1 1 286.375 3.353 20 30 CGEDMM CCc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1C ZINC000589197869 346790050 /nfs/dbraw/zinc/79/00/50/346790050.db2.gz KLKLLJLIUKGBSS-UHFFFAOYSA-N -1 1 280.327 3.387 20 30 CGEDMM CC(C)(C#N)c1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000593947343 347121950 /nfs/dbraw/zinc/12/19/50/347121950.db2.gz IHNULFKVYLNJHH-UHFFFAOYSA-N -1 1 298.342 3.069 20 30 CGEDMM N#CC1(CN=c2[n-]c(-c3ccccc3)no2)CCCCC1 ZINC000596499530 347469283 /nfs/dbraw/zinc/46/92/83/347469283.db2.gz OPLYCNFIPKVQKX-UHFFFAOYSA-N -1 1 282.347 3.044 20 30 CGEDMM N#CC1(CN=c2nc(-c3ccccc3)[n-]o2)CCCCC1 ZINC000596499530 347469286 /nfs/dbraw/zinc/46/92/86/347469286.db2.gz OPLYCNFIPKVQKX-UHFFFAOYSA-N -1 1 282.347 3.044 20 30 CGEDMM C/C=C/C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000600804720 347838431 /nfs/dbraw/zinc/83/84/31/347838431.db2.gz CVZDMGWGQUNBOU-YWVDXFKGSA-N -1 1 284.359 3.082 20 30 CGEDMM C/C=C/C[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000600813537 347839641 /nfs/dbraw/zinc/83/96/41/347839641.db2.gz XYOTWIIBQZRRMQ-IBUXWKBASA-N -1 1 284.359 3.082 20 30 CGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc3cccnc32)c1 ZINC000614294145 348665634 /nfs/dbraw/zinc/66/56/34/348665634.db2.gz UPONYEPSHINTOG-UHFFFAOYSA-N -1 1 289.294 3.064 20 30 CGEDMM Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000614357277 348669112 /nfs/dbraw/zinc/66/91/12/348669112.db2.gz VBPMOMJFSDNGEW-UHFFFAOYSA-N -1 1 266.300 3.133 20 30 CGEDMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614357775 348669290 /nfs/dbraw/zinc/66/92/90/348669290.db2.gz AJVNTXCERTWNBZ-LLVKDONJSA-N -1 1 298.317 3.236 20 30 CGEDMM C[C@@H](c1ccccc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614357702 348669326 /nfs/dbraw/zinc/66/93/26/348669326.db2.gz CSXGIGMJAQSEDH-LBPRGKRZSA-N -1 1 280.327 3.097 20 30 CGEDMM C=CC[C@H](CC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632849796 351223651 /nfs/dbraw/zinc/22/36/51/351223651.db2.gz QHLUBYZYDJMMAC-NSHDSACASA-N -1 1 267.756 3.059 20 30 CGEDMM C=CC[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633672799 351344404 /nfs/dbraw/zinc/34/44/04/351344404.db2.gz STOROFUVBOTARP-LLVKDONJSA-N -1 1 279.767 3.013 20 30 CGEDMM C=C(C)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000016853160 368721458 /nfs/dbraw/zinc/72/14/58/368721458.db2.gz QRIFTEHQPNBPDE-UHFFFAOYSA-N -1 1 272.373 3.414 20 30 CGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]c(C#N)c2)s1 ZINC000430587874 372390217 /nfs/dbraw/zinc/39/02/17/372390217.db2.gz BDHZCPQYFQSXKR-NSHDSACASA-N -1 1 298.371 3.130 20 30 CGEDMM CC(C)C[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188736602 375262921 /nfs/dbraw/zinc/26/29/21/375262921.db2.gz SPQBYPNPELMIQR-CYBMUJFWSA-N -1 1 286.375 3.162 20 30 CGEDMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cccc(C#N)c2)n1 ZINC000195071507 392954316 /nfs/dbraw/zinc/95/43/16/392954316.db2.gz FOJHZLUHLAWCTJ-JTQLQIEISA-N -1 1 285.372 3.057 20 30 CGEDMM Cc1ccc(C)c(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000430195968 393535851 /nfs/dbraw/zinc/53/58/51/393535851.db2.gz PYORGPLXUDOQAH-UHFFFAOYSA-N -1 1 294.354 3.153 20 30 CGEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451808751 394047824 /nfs/dbraw/zinc/04/78/24/394047824.db2.gz GRXZZQHHNIQBJD-UHFFFAOYSA-N -1 1 297.351 3.062 20 30 CGEDMM CC(C)(C)c1cc([N-]C(=O)c2cnsn2)c(C#N)s1 ZINC000091208159 165261059 /nfs/dbraw/zinc/26/10/59/165261059.db2.gz JHSDOYGEAVMFAN-UHFFFAOYSA-N -1 1 292.389 3.021 20 30 CGEDMM C=CCN(CC=C)C(=O)c1cc2ccccc2cc1[O-] ZINC000035160264 172018691 /nfs/dbraw/zinc/01/86/91/172018691.db2.gz MLUHPROXQCHAOH-UHFFFAOYSA-N -1 1 267.328 3.360 20 30 CGEDMM Cc1[nH]c2ccc(C([O-])=C(C#N)c3ccncn3)cc2c1C ZINC000354461686 227002225 /nfs/dbraw/zinc/00/22/25/227002225.db2.gz GFAVZLNJVFUNPC-CQSZACIVSA-N -1 1 290.326 3.065 20 30 CGEDMM C=CC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000110360624 328046686 /nfs/dbraw/zinc/04/66/86/328046686.db2.gz ABOXDMQZAUBTII-UHFFFAOYSA-N -1 1 265.740 3.084 20 30 CGEDMM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153656770 321724348 /nfs/dbraw/zinc/72/43/48/321724348.db2.gz UFSMZJLXOWSTLA-UHFFFAOYSA-N -1 1 272.691 3.170 20 30 CGEDMM CCOc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000048624927 328319386 /nfs/dbraw/zinc/31/93/86/328319386.db2.gz MLDHLOMFUGOKHT-CYBMUJFWSA-N -1 1 286.356 3.340 20 30 CGEDMM 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30 CGEDMM O=C1c2cccc(O)c2C/C1=C/c1ccc([O-])c(F)c1 ZINC000255899618 618872832 /nfs/dbraw/zinc/87/28/32/618872832.db2.gz LSDHDJGHZOYPPE-POHAHGRESA-N -1 1 270.259 3.059 20 30 CGEDMM Cc1cc(C(C)N=Nc2ccccc2C(=O)[O-])oc1C ZINC000799873724 620306125 /nfs/dbraw/zinc/30/61/25/620306125.db2.gz WIOOLTVPHFOVPQ-UHFFFAOYSA-N -1 1 272.304 3.431 20 30 CGEDMM CC[C@](C)(OC)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904172013 621884251 /nfs/dbraw/zinc/88/42/51/621884251.db2.gz XFXLDNSVJWSTFP-KRWDZBQOSA-N -1 1 287.359 3.373 20 30 CGEDMM CC1(OCC(=O)N([O-])Cc2ccccc2Cl)CCC1 ZINC000904189842 621886959 /nfs/dbraw/zinc/88/69/59/621886959.db2.gz BRBHQXBBIMSDMS-UHFFFAOYSA-N -1 1 283.755 3.017 20 30 CGEDMM COCc1ccc(/C=C/C(=O)c2cc(OC)ccc2[O-])cc1 ZINC000156686198 622833371 /nfs/dbraw/zinc/83/33/71/622833371.db2.gz PUJCXMXDXUYXFO-VQHVLOKHSA-N -1 1 298.338 3.443 20 30 CGEDMM COc1cc(/C=C\C(=O)c2ccc([O-])cc2)cc(OC)c1 ZINC000199095629 626079051 /nfs/dbraw/zinc/07/90/51/626079051.db2.gz OTNHSXFXRGSMPE-BAQGIRSFSA-N -1 1 284.311 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20 30 CGEDMM CCCC[C@H](CC)C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870693197 633628387 /nfs/dbraw/zinc/62/83/87/633628387.db2.gz YOYPHOWSPRLIPK-ZDUSSCGKSA-N -1 1 260.337 3.185 20 30 CGEDMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccc(C#N)c([O-])c3)C2)C1 ZINC000829121783 633700532 /nfs/dbraw/zinc/70/05/32/633700532.db2.gz ZQGSGIYQGBGSSP-QWHCGFSZSA-N -1 1 298.386 3.162 20 30 CGEDMM O=C(/C=C/c1ccnn1CC1CC1)c1cccc([O-])c1F ZINC000871671998 633819539 /nfs/dbraw/zinc/81/95/39/633819539.db2.gz LPDSWKZMZVIMSN-VOTSOKGWSA-N -1 1 286.306 3.034 20 30 CGEDMM C=C(C)CON=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872386436 634128658 /nfs/dbraw/zinc/12/86/58/634128658.db2.gz MPLUGQRCICPNAC-UHFFFAOYSA-N -1 1 297.380 3.417 20 30 CGEDMM COc1ccc(C)cc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000105358840 635785920 /nfs/dbraw/zinc/78/59/20/635785920.db2.gz ZXXLSVQFIDZGDU-PXNMLYILSA-N -1 1 282.295 3.325 20 30 CGEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C(C)C)c2)c(=O)o1 ZINC000853000521 637728452 /nfs/dbraw/zinc/72/84/52/637728452.db2.gz 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279.299 3.052 20 30 CGEDMM N#Cc1ccc([O-])cc1O[C@H]1CCc2ccccc21 ZINC001228004840 817781978 /nfs/dbraw/zinc/78/19/78/817781978.db2.gz GZXGUCVHNPCCIF-HNNXBMFYSA-N -1 1 251.285 3.330 20 30 CGEDMM CCCCCCCC[C@@H](C)Oc1nc(C(=O)OC)n[n-]1 ZINC001228310159 817872204 /nfs/dbraw/zinc/87/22/04/817872204.db2.gz CMRKGHQTPQKRIZ-LLVKDONJSA-N -1 1 283.372 3.109 20 30 CGEDMM CCCCCCCC[C@@H](C)Oc1n[n-]c(C(=O)OC)n1 ZINC001228310159 817872207 /nfs/dbraw/zinc/87/22/07/817872207.db2.gz CMRKGHQTPQKRIZ-LLVKDONJSA-N -1 1 283.372 3.109 20 30 CGEDMM Cc1cc(-c2nccc3[nH]cc(C#N)c32)ccc1C(=O)[O-] ZINC001243213328 823295152 /nfs/dbraw/zinc/29/51/52/823295152.db2.gz ZKFNCIRTNVZSLN-UHFFFAOYSA-N -1 1 277.283 3.108 20 30 CGEDMM C#C[C@@H](CCCC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556903 817938039 /nfs/dbraw/zinc/93/80/39/817938039.db2.gz SIMNAAWGINSSMK-LBPRGKRZSA-N -1 1 276.332 3.261 20 30 CGEDMM COC(=O)c1cc(-c2ccccc2C=N[O-])ccc1F ZINC001243294743 823331170 /nfs/dbraw/zinc/33/11/70/823331170.db2.gz JLXDOBWUVLJTIO-UHFFFAOYSA-N 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20 30 CGEDMM CN(C)c1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1 ZINC000199503760 619164014 /nfs/dbraw/zinc/16/40/14/619164014.db2.gz GDCOZMKPXVVHLV-NTEUORMPSA-N -1 1 279.339 3.281 20 30 CGEDMM COc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1O ZINC000207933784 620170070 /nfs/dbraw/zinc/17/00/70/620170070.db2.gz JAUZELUEKJYXPF-JYRVWZFOSA-N -1 1 296.322 3.319 20 30 CGEDMM CC(N=Nc1ccccc1C(=O)[O-])c1cnn(C2CCC2)c1 ZINC000901157822 620835295 /nfs/dbraw/zinc/83/52/95/620835295.db2.gz ASIYIMGPSSORJL-UHFFFAOYSA-N -1 1 298.346 3.142 20 30 CGEDMM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000901303476 620851505 /nfs/dbraw/zinc/85/15/05/620851505.db2.gz NNHLXPPQWAOZQO-NXEZZACHSA-N -1 1 296.798 3.315 20 30 CGEDMM COc1ccc([O-])c(C(=O)C=Cc2nc(C(C)C)c[nH]2)c1 ZINC000901482080 620892925 /nfs/dbraw/zinc/89/29/25/620892925.db2.gz IYCWPZTVLIQRSY-SREVYHEPSA-N -1 1 286.331 3.143 20 30 CGEDMM COC1(C(=O)N([O-])Cc2ccccc2Cl)CCCC1 ZINC000904190868 621886942 /nfs/dbraw/zinc/88/69/42/621886942.db2.gz 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CC(=NNCc1ccc(C#N)cc1)c1ccc([O-])c(Cl)c1 ZINC000768784628 627499492 /nfs/dbraw/zinc/49/94/92/627499492.db2.gz SHPFWJGIEIHWIX-UHFFFAOYSA-N -1 1 299.761 3.431 20 30 CGEDMM Cc1ccc(F)cc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000777917856 628311362 /nfs/dbraw/zinc/31/13/62/628311362.db2.gz HDOYQYYXQUBJIN-UTCJRWHESA-N -1 1 272.275 3.441 20 30 CGEDMM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(F)cc1[O-] ZINC000779817044 628435037 /nfs/dbraw/zinc/43/50/37/628435037.db2.gz NMSIOFOJZKOXPU-UHFFFAOYSA-N -1 1 284.294 3.244 20 30 CGEDMM CN(C)c1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1F ZINC000780187733 628460287 /nfs/dbraw/zinc/46/02/87/628460287.db2.gz GWFHXWHKPZWHFY-QPEQYQDCSA-N -1 1 297.329 3.420 20 30 CGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1nc(Cl)cs1 ZINC000780189177 628460888 /nfs/dbraw/zinc/46/08/88/628460888.db2.gz WZXQQFZUNZDYIE-YVMONPNESA-N -1 1 277.732 3.325 20 30 CGEDMM CCc1cnc(/C=C/C(=O)c2ccc([O-])cc2)s1 ZINC000783696289 628740669 /nfs/dbraw/zinc/74/06/69/628740669.db2.gz HEMQTXZLYCFHJZ-BQYQJAHWSA-N -1 1 259.330 3.307 20 30 CGEDMM C=CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C(C)C ZINC000785409854 628860006 /nfs/dbraw/zinc/86/00/06/628860006.db2.gz SICCBUPKRWKLLE-UHFFFAOYSA-N -1 1 283.755 3.091 20 30 CGEDMM C#CCCc1noc(-c2cc(Cl)c([O-])c(OCC)c2)n1 ZINC000785584018 628872440 /nfs/dbraw/zinc/87/24/40/628872440.db2.gz INKWDRLJQPQTCG-UHFFFAOYSA-N -1 1 292.722 3.060 20 30 CGEDMM COCCCNN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000794541093 629552558 /nfs/dbraw/zinc/55/25/58/629552558.db2.gz HRKQYOOIAZTQHW-UHFFFAOYSA-N -1 1 292.766 3.159 20 30 CGEDMM CC(C)c1ccc2c(c1)C(=N[N-]c1ncccc1F)C(=O)N2 ZINC000794990637 629615068 /nfs/dbraw/zinc/61/50/68/629615068.db2.gz QAQAPQFVBWBEHZ-UHFFFAOYSA-N -1 1 298.321 3.112 20 30 CGEDMM N#CC(=C([O-])C1=CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813214071 631388195 /nfs/dbraw/zinc/38/81/95/631388195.db2.gz OVBCKXHTJGLCAT-NSHDSACASA-N -1 1 280.249 3.387 20 30 CGEDMM [O-]c1ccc(Cl)c(F)c1C=NOCCC1CC1 ZINC000814245545 631559426 /nfs/dbraw/zinc/55/94/26/631559426.db2.gz XAVVIKIVAPXPKO-UHFFFAOYSA-N -1 1 257.692 3.335 20 30 CGEDMM CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccco1 ZINC000814680953 631620080 /nfs/dbraw/zinc/62/00/80/631620080.db2.gz PZUQWQSBFIOGGT-UHFFFAOYSA-N -1 1 258.277 3.204 20 30 CGEDMM N#Cc1ccc(NN=Cc2cccc([O-])c2Cl)cc1 ZINC000814803738 631643669 /nfs/dbraw/zinc/64/36/69/631643669.db2.gz XOFKZEVUGPYJDZ-UHFFFAOYSA-N -1 1 271.707 3.363 20 30 CGEDMM C#C[C@@H](C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817455872 632165062 /nfs/dbraw/zinc/16/50/62/632165062.db2.gz NFEUGEBSQOIYAP-SSDOTTSWSA-N -1 1 292.112 3.223 20 30 CGEDMM CC[C@H]1CCCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690251 633626442 /nfs/dbraw/zinc/62/64/42/633626442.db2.gz LFBMHVKTCYKOBD-DZGCQCFKSA-N -1 1 272.348 3.185 20 30 CGEDMM CC[C@@H](C)NN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872368804 634122865 /nfs/dbraw/zinc/12/28/65/634122865.db2.gz QIZHCFRKVRAVKW-SECBINFHSA-N -1 1 298.412 3.212 20 30 CGEDMM C=CC(C)(C)CCCNc1cc(Cl)[n-]c(=O)n1 ZINC000872683445 634186262 /nfs/dbraw/zinc/18/62/62/634186262.db2.gz QWEIQBRMAYYTQU-UHFFFAOYSA-N -1 1 255.749 3.240 20 30 CGEDMM Cc1cc(C)c(C(=O)/C=C\c2cc3n(n2)CCC3)c([O-])c1 ZINC000849248166 636779144 /nfs/dbraw/zinc/77/91/44/636779144.db2.gz MFJRKEZWIONSIR-WAYWQWQTSA-N -1 1 282.343 3.048 20 30 CGEDMM O=C(/C=C\c1cc(F)ccc1F)c1cc(O)ccc1[O-] ZINC000215954924 637098288 /nfs/dbraw/zinc/09/82/88/637098288.db2.gz SWOKRVCTBHUBBQ-KTAJNNJTSA-N -1 1 276.238 3.272 20 30 CGEDMM C=C(Cl)CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000852727494 637701124 /nfs/dbraw/zinc/70/11/24/637701124.db2.gz LLGKDESBGBPUEF-UHFFFAOYSA-N -1 1 279.767 3.317 20 30 CGEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C(C)C)c2)c(=O)o1 ZINC000853000522 637728307 /nfs/dbraw/zinc/72/83/07/637728307.db2.gz CIYRCXMBTDDJQH-QWPQOLDESA-N -1 1 298.338 3.038 20 30 CGEDMM CCN(C)c1ccc(/C=C/C(=O)c2ccc([O-])cc2)cn1 ZINC000191204322 640296252 /nfs/dbraw/zinc/29/62/52/640296252.db2.gz NFJZEUOZBKAUNU-ONNFQVAWSA-N -1 1 282.343 3.139 20 30 CGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(CC#N)c2)n1 ZINC000048789330 798893069 /nfs/dbraw/zinc/89/30/69/798893069.db2.gz OPXQUQWPJBESCE-CYBMUJFWSA-N -1 1 281.340 3.008 20 30 CGEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC001181456033 810054172 /nfs/dbraw/zinc/05/41/72/810054172.db2.gz XKFPZCFHMCEAPB-ZIAGYGMSSA-N -1 1 278.311 3.006 20 30 CGEDMM N#Cc1c(F)cncc1-c1c(Cl)ccc([O-])c1F ZINC001244543135 803429527 /nfs/dbraw/zinc/42/95/27/803429527.db2.gz PCPCDAMYKXNXCZ-UHFFFAOYSA-N -1 1 266.634 3.257 20 30 CGEDMM N#CCc1ccncc1-c1c(Cl)ccc([O-])c1F ZINC001244542758 803429792 /nfs/dbraw/zinc/42/97/92/803429792.db2.gz PZCMKVRNVDHEEP-UHFFFAOYSA-N -1 1 262.671 3.313 20 30 CGEDMM COc1c(F)ccc(-c2ccccc2C=N[O-])c1OC ZINC001245051461 803623080 /nfs/dbraw/zinc/62/30/80/803623080.db2.gz JARWPTGRYPYAHX-UHFFFAOYSA-N -1 1 275.279 3.318 20 30 CGEDMM CN(Cc1ccc(C#N)cc1)Cc1c(F)ccc(F)c1[O-] ZINC001139682978 804251565 /nfs/dbraw/zinc/25/15/65/804251565.db2.gz DGQMPQOEFLZOQQ-UHFFFAOYSA-N -1 1 288.297 3.174 20 30 CGEDMM Cc1c(C#N)cccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001140657090 804485387 /nfs/dbraw/zinc/48/53/87/804485387.db2.gz IJEVGQJMBTYBBG-UHFFFAOYSA-N -1 1 288.253 3.103 20 30 CGEDMM C#Cc1cccc(N(CC)C(=O)c2ccc(F)c([O-])c2)c1 ZINC001144136088 804943837 /nfs/dbraw/zinc/94/38/37/804943837.db2.gz ZGMSBFFOAYUZMH-UHFFFAOYSA-N -1 1 283.302 3.179 20 30 CGEDMM CCc1cc(C(=O)Nc2ccc(C#N)cc2[O-])cs1 ZINC001147713386 805145953 /nfs/dbraw/zinc/14/59/53/805145953.db2.gz CVIANHIJRMKCOZ-UHFFFAOYSA-N -1 1 272.329 3.140 20 30 CGEDMM O=C(NCCCS)c1cccc(-c2ccccc2)c1[O-] ZINC001148872945 805214261 /nfs/dbraw/zinc/21/42/61/805214261.db2.gz MFMDBYFJZCIKPH-UHFFFAOYSA-N -1 1 287.384 3.109 20 30 CGEDMM N#Cc1ccc(NC(=O)c2csc3c2CCCC3)c([O-])c1 ZINC001150983218 805276039 /nfs/dbraw/zinc/27/60/39/805276039.db2.gz SCXXVJUCXZJBEU-UHFFFAOYSA-N -1 1 298.367 3.456 20 30 CGEDMM COc1cccc(Nc2cccc([O-])c2F)c1C#N ZINC001212552524 815065069 /nfs/dbraw/zinc/06/50/69/815065069.db2.gz WJVSFWIEGJOQPU-UHFFFAOYSA-N -1 1 258.252 3.155 20 30 CGEDMM N#Cc1ccc(NC(=O)c2scc3c2CCCC3)c([O-])c1 ZINC001153627016 805408463 /nfs/dbraw/zinc/40/84/63/805408463.db2.gz OXDCNNQIGNXYQI-UHFFFAOYSA-N -1 1 298.367 3.456 20 30 CGEDMM N#CCCCCC(=O)Nc1ccc(Br)c([O-])c1 ZINC001261551198 807757230 /nfs/dbraw/zinc/75/72/30/807757230.db2.gz ARMVSVYPTYTODG-UHFFFAOYSA-N -1 1 297.152 3.177 20 30 CGEDMM C=C(C)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174793864 809164695 /nfs/dbraw/zinc/16/46/95/809164695.db2.gz QSGCNLUMLIGOBS-UHFFFAOYSA-N -1 1 279.295 3.113 20 30 CGEDMM C=C[C@](C)(O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001301159619 809579952 /nfs/dbraw/zinc/57/99/52/809579952.db2.gz WLZDKZORQHSNFE-HNNXBMFYSA-N -1 1 291.734 3.074 20 30 CGEDMM N#Cc1ccc(NC(=O)C2(C(F)(F)F)CCCC2)c([O-])c1 ZINC001180480342 810005220 /nfs/dbraw/zinc/00/52/20/810005220.db2.gz MTBKYZNBDQZGBD-UHFFFAOYSA-N -1 1 298.264 3.325 20 30 CGEDMM N#Cc1ccc(NC(=O)[C@@H]2CC23CCCCC3)c([O-])c1 ZINC001181908972 810082961 /nfs/dbraw/zinc/08/29/61/810082961.db2.gz QWGYYRHXIPPZNU-LBPRGKRZSA-N -1 1 270.332 3.173 20 30 CGEDMM CCCOc1ccccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001191003555 810663711 /nfs/dbraw/zinc/66/37/11/810663711.db2.gz KKFBXQZZIXFBDH-UHFFFAOYSA-N -1 1 296.326 3.305 20 30 CGEDMM N#Cc1cccc([O-])c1NC(=O)NCCCc1ccccc1 ZINC001191208159 810689403 /nfs/dbraw/zinc/68/94/03/810689403.db2.gz HQUQFGVKMFSTKL-UHFFFAOYSA-N -1 1 295.342 3.018 20 30 CGEDMM Cc1ccc(F)cc1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001191417303 810712616 /nfs/dbraw/zinc/71/26/16/810712616.db2.gz HZUNZELOQZZSGP-UHFFFAOYSA-N -1 1 285.278 3.355 20 30 CGEDMM N#Cc1sccc1[N-]C(=O)c1ccc(C(F)(F)F)o1 ZINC001194404787 811070384 /nfs/dbraw/zinc/07/03/84/811070384.db2.gz FCQFYXVABVDYOS-UHFFFAOYSA-N -1 1 286.234 3.484 20 30 CGEDMM CCCCCCNC(=S)Nc1scc([O-])c1C#N ZINC001200944477 811770680 /nfs/dbraw/zinc/77/06/80/811770680.db2.gz JMYARYZYLLCOQT-UHFFFAOYSA-N -1 1 283.422 3.192 20 30 CGEDMM CCCCCCNC(=S)Nc1ccc(C#N)cc1[O-] ZINC001200956910 811774352 /nfs/dbraw/zinc/77/43/52/811774352.db2.gz KAGGDGXNUWXIHI-UHFFFAOYSA-N -1 1 277.393 3.131 20 30 CGEDMM CCc1cccc(NC(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001202885991 812193274 /nfs/dbraw/zinc/19/32/74/812193274.db2.gz NYXDGHGEBPRDKN-UHFFFAOYSA-N -1 1 281.315 3.470 20 30 CGEDMM CCc1cccc(NC(=O)Nc2c([O-])cccc2C#N)c1 ZINC001202885730 812193707 /nfs/dbraw/zinc/19/37/07/812193707.db2.gz ISAIMCRUMZWMNX-UHFFFAOYSA-N -1 1 281.315 3.470 20 30 CGEDMM N#Cc1ncc(Nc2cccc([O-])c2Cl)cc1F ZINC001203060243 812230919 /nfs/dbraw/zinc/23/09/19/812230919.db2.gz LLYIVKSRSBKHNM-UHFFFAOYSA-N -1 1 263.659 3.195 20 30 CGEDMM N#Cc1ccc(Cl)nc1Nc1cc([O-])cc(F)c1 ZINC001206766075 813429093 /nfs/dbraw/zinc/42/90/93/813429093.db2.gz AQZUMNUYOGNNKU-UHFFFAOYSA-N -1 1 263.659 3.195 20 30 CGEDMM COc1cc(C#N)c(Nc2cc([O-])cc(F)c2)cc1OC ZINC001206823197 813447358 /nfs/dbraw/zinc/44/73/58/813447358.db2.gz YBRLSAIJNRDSQW-UHFFFAOYSA-N -1 1 288.278 3.164 20 30 CGEDMM [O-]/N=C/c1ccc(-c2cncc(N3CCCC3)c2)cc1F ZINC001242621752 823067212 /nfs/dbraw/zinc/06/72/12/823067212.db2.gz AVEFBHRQEBPRPA-VXLYETTFSA-N -1 1 285.322 3.296 20 30 CGEDMM CC(=O)c1ccc(Nc2cc([O-])cc(F)c2)c(C#N)c1 ZINC001208124929 813699598 /nfs/dbraw/zinc/69/95/98/813699598.db2.gz BNCXWBKLGKNTMV-UHFFFAOYSA-N -1 1 270.263 3.349 20 30 CGEDMM N#Cc1cc(F)ccc1Nc1ccc([O-])c(F)c1F ZINC001210554788 814522825 /nfs/dbraw/zinc/52/28/25/814522825.db2.gz WCFGVXHDUGWTMX-UHFFFAOYSA-N -1 1 264.206 3.425 20 30 CGEDMM CC(=O)c1cccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c1[O-] ZINC001211332544 814880263 /nfs/dbraw/zinc/88/02/63/814880263.db2.gz CBWRQQOTMYNRED-UHFFFAOYSA-N -1 1 297.270 3.118 20 30 CGEDMM CO[C@H]1CCCC[C@@H]1O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223594190 816655118 /nfs/dbraw/zinc/65/51/18/816655118.db2.gz UGMJEAWRJPOATG-PDOPJTIDSA-N -1 1 283.755 3.450 20 30 CGEDMM [O-]/N=C(\OC1CCSCC1)c1ccc(Cl)cc1 ZINC001223594921 816655309 /nfs/dbraw/zinc/65/53/09/816655309.db2.gz CODAJDLVLRCRAY-OWBHPGMISA-N -1 1 271.769 3.388 20 30 CGEDMM COC1CCC(O/C(=N\[O-])c2cc(F)ccc2F)CC1 ZINC001223888540 816697618 /nfs/dbraw/zinc/69/76/18/816697618.db2.gz LWFQTNMAIBWXNV-VKAVYKQESA-N -1 1 285.290 3.075 20 30 CGEDMM N#CC1CCC(O/C(=N\[O-])c2cc(F)ccc2F)CC1 ZINC001223888295 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