smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[C@@H]2CC)n1 ZINC001479608975 1098631282 /nfs/dbraw/zinc/63/12/82/1098631282.db2.gz RAACLPTVEAZAMW-HOCLYGCPSA-N -1 0 344.459 2.128 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001449762462 1104915040 /nfs/dbraw/zinc/91/50/40/1104915040.db2.gz JPHFBINPFIVGFJ-HUUCEWRRSA-N -1 0 338.367 2.012 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC001466084781 1110429600 /nfs/dbraw/zinc/42/96/00/1110429600.db2.gz NSHJRUQHSBZVLB-HXUWFJFHSA-N -1 0 349.390 2.281 10 30 EEEERM N#C[C@]1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCOC1 ZINC001546162384 1110455436 /nfs/dbraw/zinc/45/54/36/1110455436.db2.gz HZZWJBKVBZQMPY-CYBMUJFWSA-N -1 0 325.708 2.213 10 30 EEEERM C=CCC1(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001567928776 1124186405 /nfs/dbraw/zinc/18/64/05/1124186405.db2.gz PDNAVOKEMZXQDJ-AWEZNQCLSA-N -1 0 347.463 2.070 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2CC[C@@]3(C2)CCCOC3)cc1C#N ZINC000357094216 295688127 /nfs/dbraw/zinc/68/81/27/295688127.db2.gz NPGPLKFVQRJNTN-MRXNPFEDSA-N -1 0 333.413 2.023 10 30 EEEERM Cc1ncc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)cc1C#N ZINC000427197549 241391113 /nfs/dbraw/zinc/39/11/13/241391113.db2.gz KVSYRLGGYKHLBZ-LLVKDONJSA-N -1 0 331.401 2.230 10 30 EEEERM CCC1(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CCOCC1 ZINC000343722188 161162204 /nfs/dbraw/zinc/16/22/04/161162204.db2.gz XWZPKNVKNSAFSG-UHFFFAOYSA-N -1 0 335.429 2.317 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)NCC2([C@@H](C)CCO)CCC2)cc1C#N ZINC000344813301 161247914 /nfs/dbraw/zinc/24/79/14/161247914.db2.gz RFFCMVLJRDABCD-NSHDSACASA-N -1 0 349.456 2.299 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)NCC2(CCO)CCCC2)cc1C#N ZINC000352438573 162135600 /nfs/dbraw/zinc/13/56/00/162135600.db2.gz MHHAUTRKGAYQBW-UHFFFAOYSA-N -1 0 335.429 2.053 10 30 EEEERM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414453301 267262300 /nfs/dbraw/zinc/26/23/00/267262300.db2.gz MYVSCKUYQMWFQT-UHFFFAOYSA-N -1 0 349.372 2.101 10 30 EEEERM N#Cc1cc(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])ccc1Cl ZINC000530526808 268191072 /nfs/dbraw/zinc/19/10/72/268191072.db2.gz UCUDSDZDPJMYPC-CYBMUJFWSA-N -1 0 342.804 2.133 10 30 EEEERM Cc1cccc(S(=O)(=O)N[C@H](CC2CCCC2)C(=O)[O-])c1C#N ZINC000548225959 318366405 /nfs/dbraw/zinc/36/64/05/318366405.db2.gz RURHCMBHYORHIT-CQSZACIVSA-N -1 0 336.413 2.179 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C#N ZINC000552617933 318513406 /nfs/dbraw/zinc/51/34/06/318513406.db2.gz JZKMHEXJUUQHIR-YGRLFVJLSA-N -1 0 339.367 2.498 10 30 EEEERM C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])n1cnc(C#N)n1 ZINC000336998374 465141518 /nfs/dbraw/zinc/14/15/18/465141518.db2.gz PURURNLQMQIKBH-LURJTMIESA-N -1 0 326.143 2.362 10 30 EEEERM CCN(CC)S(=O)(=O)c1ccc(C(C#N)=C([O-])c2ccco2)nc1 ZINC000075582304 462734372 /nfs/dbraw/zinc/73/43/72/462734372.db2.gz GTVMUZAOXHVOTK-CYBMUJFWSA-N -1 0 347.396 2.195 10 30 EEEERM CCOc1cc2c(cc1C=CC(=O)[N-]S(C)(=O)=O)O[C@@H](C)C2 ZINC000048479812 462913923 /nfs/dbraw/zinc/91/39/23/462913923.db2.gz JKIMXCDVLPNTCX-OMMCCPJFSA-N -1 0 325.386 2.338 10 30 EEEERM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1(C)C ZINC000121174928 463092549 /nfs/dbraw/zinc/09/25/49/463092549.db2.gz MZJLZHAKYBIKFI-OLZOCXBDSA-N -1 0 349.456 2.244 10 30 EEEERM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)cc1 ZINC000151593406 463558453 /nfs/dbraw/zinc/55/84/53/463558453.db2.gz GVFWPHBCBZCZKE-UHFFFAOYSA-N -1 0 325.353 2.144 10 30 EEEERM Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(C)(C)C[C@H]1C(=O)[O-] ZINC000277563422 463919739 /nfs/dbraw/zinc/91/97/39/463919739.db2.gz RYQWOHZXQFQMMN-ZDUSSCGKSA-N -1 0 336.413 2.131 10 30 EEEERM N#CCCCS(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000269458671 463991628 /nfs/dbraw/zinc/99/16/28/463991628.db2.gz GFCGOHLKCJSZBM-UHFFFAOYSA-N -1 0 347.190 2.193 10 30 EEEERM N#Cc1c2c(sc1NC(=O)CSc1n[nH]c(=O)[n-]1)CCCCC2 ZINC000187637162 464145326 /nfs/dbraw/zinc/14/53/26/464145326.db2.gz NTPSTPIRFAVTKX-UHFFFAOYSA-N -1 0 349.441 2.443 10 30 EEEERM C[C@@H](CC#N)N(C)C(=O)c1cccc(C(=O)N(C)[C@@H](C)CC#N)c1[O-] ZINC000280962785 464283136 /nfs/dbraw/zinc/28/31/36/464283136.db2.gz NMUHNJANIQCGGN-STQMWFEESA-N -1 0 342.399 2.141 10 30 EEEERM N#CC1(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](c3ccccc3)C2)CCOCC1 ZINC000180325246 464287775 /nfs/dbraw/zinc/28/77/75/464287775.db2.gz HOXCCCOZNRNNON-CVEARBPZSA-N -1 0 342.395 2.024 10 30 EEEERM N#CCCCS(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000265421164 464551322 /nfs/dbraw/zinc/55/13/22/464551322.db2.gz NTXWEFULOPIRIL-UHFFFAOYSA-N -1 0 336.291 2.449 10 30 EEEERM Cc1c(Br)cc(/C([O-])=N/[C@](C)(CO)C(C)C)c(=O)n1C ZINC000331185383 465972447 /nfs/dbraw/zinc/97/24/47/465972447.db2.gz IPUSKJJREGXSMQ-CQSZACIVSA-N -1 0 345.237 2.168 10 30 EEEERM COc1cc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)ccc1O ZINC000438099350 467561216 /nfs/dbraw/zinc/56/12/16/467561216.db2.gz WDSUSCNGJJEJBF-UHFFFAOYSA-N -1 0 331.353 2.347 10 30 EEEERM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)N(C)C[C@H](C)C#N)cc1 ZINC000514733981 467951927 /nfs/dbraw/zinc/95/19/27/467951927.db2.gz VYTKFFQCTIQXDE-VXGBXAGGSA-N -1 0 339.417 2.013 10 30 EEEERM CO[C@@H](CS(=O)(=O)[N-]c1cc(CC#N)ccn1)c1ccc(F)cc1 ZINC000530152382 467954345 /nfs/dbraw/zinc/95/43/45/467954345.db2.gz DXJXZPCNADZZLM-HNNXBMFYSA-N -1 0 349.387 2.416 10 30 EEEERM C=CCCS(=O)(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000575398328 468140451 /nfs/dbraw/zinc/14/04/51/468140451.db2.gz IDKDRIUZMHVTTO-GDBMZVCRSA-N -1 0 337.441 2.445 10 30 EEEERM C=CCCS(=O)(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000575398330 468140797 /nfs/dbraw/zinc/14/07/97/468140797.db2.gz IDKDRIUZMHVTTO-HOCLYGCPSA-N -1 0 337.441 2.445 10 30 EEEERM C=C[C@@H]1OCC[C@H]1CNC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000570202181 468604084 /nfs/dbraw/zinc/60/40/84/468604084.db2.gz VJRAGWIVNTXFJL-LRDDRELGSA-N -1 0 345.374 2.346 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)NC[C@H](C)c2ccccn2)cc1C#N ZINC000597863127 468697272 /nfs/dbraw/zinc/69/72/72/468697272.db2.gz GPVJAMOUCFAGKC-JTQLQIEISA-N -1 0 328.397 2.309 10 30 EEEERM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000592447788 468700076 /nfs/dbraw/zinc/70/00/76/468700076.db2.gz IJMPGFGPIFXABD-NEPJUHHUSA-N -1 0 342.804 2.228 10 30 EEEERM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)N(C)[C@H](C)CC#N ZINC000593254605 468919263 /nfs/dbraw/zinc/91/92/63/468919263.db2.gz ODYIYJOQRHPUTH-MRVPVSSYSA-N -1 0 345.808 2.237 10 30 EEEERM C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccncc1 ZINC000610711537 469046559 /nfs/dbraw/zinc/04/65/59/469046559.db2.gz FENHOJMREWVMPH-SNVBAGLBSA-N -1 0 337.351 2.313 10 30 EEEERM N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595967934 469100941 /nfs/dbraw/zinc/10/09/41/469100941.db2.gz KYLWZGGQYFQTBV-BXUZGUMPSA-N -1 0 326.274 2.114 10 30 EEEERM CC1(C)OCc2[n-]n(-c3cc(C#N)ccc3Br)c(=O)c21 ZINC000601949640 469108506 /nfs/dbraw/zinc/10/85/06/469108506.db2.gz VLMKNIHUNMDZAO-GFCCVEGCSA-N -1 0 334.173 2.448 10 30 EEEERM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)nc1C ZINC000596048583 469127653 /nfs/dbraw/zinc/12/76/53/469127653.db2.gz AGBSYMLUQFPAOJ-UHFFFAOYSA-N -1 0 347.396 2.470 10 30 EEEERM N#Cc1ccc(CS(=O)(=O)c2nnc(-c3ccccc3)[n-]2)cc1F ZINC000573552259 469158337 /nfs/dbraw/zinc/15/83/37/469158337.db2.gz XFKHNPBMSKNNJO-UHFFFAOYSA-N -1 0 342.355 2.456 10 30 EEEERM C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000573608872 469170200 /nfs/dbraw/zinc/17/02/00/469170200.db2.gz JADBGRUCJDFOQP-IUODEOHRSA-N -1 0 345.399 2.177 10 30 EEEERM C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000573608874 469170363 /nfs/dbraw/zinc/17/03/63/469170363.db2.gz JADBGRUCJDFOQP-WFASDCNBSA-N -1 0 345.399 2.177 10 30 EEEERM C=C(C)C[C@H](NC(=O)c1cc(Br)cn1CC)C(=O)[O-] ZINC000630326468 469810141 /nfs/dbraw/zinc/81/01/41/469810141.db2.gz QMFSLIJLVYEYOP-JTQLQIEISA-N -1 0 329.194 2.420 10 30 EEEERM C=C(C)C[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)C(=O)[O-] ZINC000630472929 469865384 /nfs/dbraw/zinc/86/53/84/469865384.db2.gz AVWXVVHVSOTNDH-BBRMVZONSA-N -1 0 349.406 2.371 10 30 EEEERM C=CC(C)(C)CNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630650247 469932543 /nfs/dbraw/zinc/93/25/43/469932543.db2.gz MVIJTVHACCEMIH-HZPDHXFCSA-N -1 0 330.428 2.433 10 30 EEEERM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000654787557 471176622 /nfs/dbraw/zinc/17/66/22/471176622.db2.gz FPBJWENHEAEOJB-ZDUSSCGKSA-N -1 0 339.413 2.223 10 30 EEEERM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000730996327 577073093 /nfs/dbraw/zinc/07/30/93/577073093.db2.gz LOPPAUWMMKTUNQ-UHFFFAOYSA-N -1 0 345.376 2.286 10 30 EEEERM Cc1csc(CCC(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000774091998 577382773 /nfs/dbraw/zinc/38/27/73/577382773.db2.gz GZXXNXBFQMVWBX-UHFFFAOYSA-N -1 0 349.437 2.069 10 30 EEEERM N#CC1(CS(=O)(=O)[N-]C(=O)CCC2CCOCC2)CCCCC1 ZINC000760390830 577662113 /nfs/dbraw/zinc/66/21/13/577662113.db2.gz SPXLVTIKWBOJFH-UHFFFAOYSA-N -1 0 342.461 2.113 10 30 EEEERM COc1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000760410182 577662467 /nfs/dbraw/zinc/66/24/67/577662467.db2.gz ZBNFYKHIGBGXTQ-UHFFFAOYSA-N -1 0 336.413 2.229 10 30 EEEERM Cc1ccc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)o1 ZINC000747112927 577939550 /nfs/dbraw/zinc/93/95/50/577939550.db2.gz PPKJZZLDDFYTEE-UHFFFAOYSA-N -1 0 332.381 2.039 10 30 EEEERM COCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(CSC)c1 ZINC000177593339 681398472 /nfs/dbraw/zinc/39/84/72/681398472.db2.gz GXWGUUAEKWELBT-CYBMUJFWSA-N -1 0 338.404 2.164 10 30 EEEERM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000122527465 683297772 /nfs/dbraw/zinc/29/77/72/683297772.db2.gz VHMSDNSYRXOKHH-CYBMUJFWSA-N -1 0 328.393 2.308 10 30 EEEERM C=CCCCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000874406003 1198885284 /nfs/dbraw/zinc/88/52/84/1198885284.db2.gz WYHXKKVGSCFHJR-LSDHHAIUSA-N -1 0 348.447 2.366 10 30 EEEERM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2-c2ccnn2C)C(=O)O1 ZINC000814187345 1199348341 /nfs/dbraw/zinc/34/83/41/1199348341.db2.gz GZLFNYHXZJVVLT-DVBCCOPCSA-N -1 0 336.347 2.315 10 30 EEEERM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccnc(N3CC[C@@H](C)C3)c2)CC1 ZINC000810987251 1199857479 /nfs/dbraw/zinc/85/74/79/1199857479.db2.gz DKRBEULSUIVVLO-CYBMUJFWSA-N -1 0 349.456 2.096 10 30 EEEERM CC1CCC(N2C[C@H](C(=O)[N-]Oc3cccc(C#N)c3)CC2=O)CC1 ZINC000870692469 1200815931 /nfs/dbraw/zinc/81/59/31/1200815931.db2.gz FSKBCIRFLHMPPO-OGVSOVDVSA-N -1 0 341.411 2.395 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)CSCc2cccc(C)c2)CC1 ZINC000870831855 1200897128 /nfs/dbraw/zinc/89/71/28/1200897128.db2.gz ITZHKXRYZHYRLL-UHFFFAOYSA-N -1 0 325.455 2.393 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000870835943 1200900908 /nfs/dbraw/zinc/90/09/08/1200900908.db2.gz OFAHOLZQRRGCHD-ZJUUUORDSA-N -1 0 345.342 2.372 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 ZINC000870836020 1200901317 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ZINC000861140202 1295262809 /nfs/dbraw/zinc/26/28/09/1295262809.db2.gz OVEHXGDKIPDRJZ-ZFWWWQNUSA-N -1 0 337.441 2.360 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)[O-] ZINC000864182139 1296442962 /nfs/dbraw/zinc/44/29/62/1296442962.db2.gz JUTCFKZVJZECSJ-GFCCVEGCSA-N -1 0 336.779 2.338 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)c1cc(Br)cn1C)C(=O)[O-] ZINC000864185578 1296446732 /nfs/dbraw/zinc/44/67/32/1296446732.db2.gz XHMGQYCGXPSADD-QMMMGPOBSA-N -1 0 335.585 2.113 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)c1cc(C)nc(C(F)(F)F)n1)C(=O)[O-] ZINC000864186675 1296448199 /nfs/dbraw/zinc/44/81/99/1296448199.db2.gz UTFIVOJENVRXKQ-MRVPVSSYSA-N -1 0 337.685 2.129 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000864186724 1296448322 /nfs/dbraw/zinc/44/83/22/1296448322.db2.gz WFDJLXZHLDWMFU-LBPRGKRZSA-N -1 0 340.738 2.036 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NC[C@@H]1COc2ccccc2C1)C(=O)[O-] ZINC000864520729 1296573209 /nfs/dbraw/zinc/57/32/09/1296573209.db2.gz DPUUKNFVUQUQSL-DGCLKSJQSA-N -1 0 338.791 2.133 10 30 EEEERM N#Cc1cccc(Oc2ccc(NC(=O)CCc3nnn[n-]3)cc2)c1 ZINC001293225399 1328639332 /nfs/dbraw/zinc/63/93/32/1328639332.db2.gz ULUQUJWLBZRNFB-UHFFFAOYSA-N -1 0 334.339 2.435 10 30 EEEERM Cn1nc(C2CCOCC2)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC001152999715 1316756340 /nfs/dbraw/zinc/75/63/40/1316756340.db2.gz FSKVOCWJXUWSKI-UHFFFAOYSA-N -1 0 326.356 2.144 10 30 EEEERM C=CCOc1ccc(-c2nnc(Sc3c(C)[n-][nH]c3=O)o2)cc1 ZINC001165807913 1321590120 /nfs/dbraw/zinc/59/01/20/1321590120.db2.gz DWFLGLOEPDNHAI-GFCCVEGCSA-N -1 0 330.369 2.268 10 30 EEEERM C#C[C@H]1CCCN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2CC)C1 ZINC001263056605 1322427655 /nfs/dbraw/zinc/42/76/55/1322427655.db2.gz HAGBRMHZRUYCCT-LBPRGKRZSA-N -1 0 341.371 2.428 10 30 EEEERM C=CCCC(=O)N[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CCCCC1 ZINC001285264013 1326933459 /nfs/dbraw/zinc/93/34/59/1326933459.db2.gz ZNRUJINYZMPNOM-AWEZNQCLSA-N -1 0 348.447 2.185 10 30 EEEERM C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1nn(C)cc1[O-] ZINC001304542727 1331387588 /nfs/dbraw/zinc/38/75/88/1331387588.db2.gz ACGBTJOFBPGFFW-JTQLQIEISA-N -1 0 337.339 2.143 10 30 EEEERM CCCC[C@H](CNCC#N)NC(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001329886929 1334732978 /nfs/dbraw/zinc/73/29/78/1334732978.db2.gz IVGZLQVFQAIOAY-CYBMUJFWSA-N -1 0 333.436 2.016 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](OC)c1ccc(F)cc1)C(=O)[O-] ZINC001647325893 1353232135 /nfs/dbraw/zinc/23/21/35/1353232135.db2.gz HJENJCRGDFPSBJ-CHWSQXEVSA-N -1 0 344.770 2.408 10 30 EEEERM C#Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001664046184 1355080882 /nfs/dbraw/zinc/08/08/82/1355080882.db2.gz PAHPNTAJHRLVBD-UHFFFAOYSA-N -1 0 334.328 2.194 10 30 EEEERM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)n2nc(C)cc2C)n1 ZINC000920710959 770822846 /nfs/dbraw/zinc/82/28/46/770822846.db2.gz DYCGBLKDFSBISR-QWHCGFSZSA-N -1 0 346.412 2.246 10 30 EEEERM N#CC1(c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000179806353 774265934 /nfs/dbraw/zinc/26/59/34/774265934.db2.gz OEVYBPXCZQTCRX-UHFFFAOYSA-N -1 0 326.377 2.360 10 30 EEEERM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000905993516 783626148 /nfs/dbraw/zinc/62/61/48/783626148.db2.gz DJZBSGOLQDKUJH-CABCVRRESA-N -1 0 336.413 2.017 10 30 EEEERM C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000906006735 783638332 /nfs/dbraw/zinc/63/83/32/783638332.db2.gz HIXRZVQXXADUNW-UHFFFAOYSA-N -1 0 333.768 2.131 10 30 EEEERM C[S@@](=O)(=NS(=O)(=O)[N-]C1(C#N)CCCCC1)c1ccccc1 ZINC000906062325 783678135 /nfs/dbraw/zinc/67/81/35/783678135.db2.gz PJCWEMQZIZZGNT-NRFANRHFSA-N -1 0 341.458 2.204 10 30 EEEERM C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000907129818 784401288 /nfs/dbraw/zinc/40/12/88/784401288.db2.gz YZGIACBKPGXDTB-SNVBAGLBSA-N -1 0 327.789 2.215 10 30 EEEERM CCCCCCCCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000817894105 785050607 /nfs/dbraw/zinc/05/06/07/785050607.db2.gz BAPUIGPSXKDPKH-AWEZNQCLSA-N -1 0 326.437 2.129 10 30 EEEERM C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000909236822 786117608 /nfs/dbraw/zinc/11/76/08/786117608.db2.gz BYTGVMJXPQRNJM-KBMXLJTQSA-N -1 0 332.400 2.262 10 30 EEEERM C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909851118 786282557 /nfs/dbraw/zinc/28/25/57/786282557.db2.gz MATMXHYTZFIOEW-NHYWBVRUSA-N -1 0 328.368 2.116 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)CCSCc1ccccn1)C(=O)[O-] ZINC000910267471 786595030 /nfs/dbraw/zinc/59/50/30/786595030.db2.gz SVDCKIHXUCNBGM-GFCCVEGCSA-N -1 0 328.821 2.417 10 30 EEEERM C=CCCC[C@@H](NC(=O)c1ccnc(N2CC[C@H](C)C2)c1)C(=O)[O-] ZINC000910917260 787121483 /nfs/dbraw/zinc/12/14/83/787121483.db2.gz PFZKXKXCASREOL-DZGCQCFKSA-N -1 0 331.416 2.467 10 30 EEEERM C=CCCC[C@@H](NC(=O)c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000910918904 787124149 /nfs/dbraw/zinc/12/41/49/787124149.db2.gz QBLIEGZBDUTQCO-GFCCVEGCSA-N -1 0 335.356 2.006 10 30 EEEERM N#C[C@@]1(C(=O)NCC2(CC(=O)[O-])CCOCC2)CC2CCC1CC2 ZINC000923097689 788827012 /nfs/dbraw/zinc/82/70/12/788827012.db2.gz MDLSEHKTOVNZEV-JRSKDTKFSA-N -1 0 334.416 2.094 10 30 EEEERM N#C[C@]1(C(=O)OCC(=O)[N-]OCc2ccccc2)CC2CCC1CC2 ZINC000923260383 789229557 /nfs/dbraw/zinc/22/95/57/789229557.db2.gz WCYVVYZOIIEIRW-GSQSYGFSSA-N -1 0 342.395 2.498 10 30 EEEERM O=C([O-])C#CC1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000844813865 789392236 /nfs/dbraw/zinc/39/22/36/789392236.db2.gz BWAGWMXBLSGVDM-UHFFFAOYSA-N -1 0 343.351 2.113 10 30 EEEERM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845435977 789775098 /nfs/dbraw/zinc/77/50/98/789775098.db2.gz YGYXTSYZVWVRDN-HZPDHXFCSA-N -1 0 332.425 2.331 10 30 EEEERM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000846147596 790075177 /nfs/dbraw/zinc/07/51/77/790075177.db2.gz YUAQVICRWYPEIA-UHFFFAOYSA-N -1 0 336.388 2.390 10 30 EEEERM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(-c2ccoc2)[nH]n1 ZINC000916897378 797931557 /nfs/dbraw/zinc/93/15/57/797931557.db2.gz JCTUCQPPYHXTOM-ZDUSSCGKSA-N -1 0 326.356 2.441 10 30 EEEERM N#Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000788845975 807716441 /nfs/dbraw/zinc/71/64/41/807716441.db2.gz MHPBLHZFMUGGTQ-UHFFFAOYSA-N -1 0 338.732 2.316 10 30 EEEERM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000793205884 810205898 /nfs/dbraw/zinc/20/58/98/810205898.db2.gz SFPBGHMVLVUZQY-AWEZNQCLSA-N -1 0 338.404 2.315 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC001448826245 1093892859 /nfs/dbraw/zinc/89/28/59/1093892859.db2.gz QVEAYQXFMBSHGZ-ZDUSSCGKSA-N -1 0 349.749 2.223 10 30 EEEERM COCCN(CCC#N)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001443210544 1097664520 /nfs/dbraw/zinc/66/45/20/1097664520.db2.gz DFYSJWOOOQPXMK-UHFFFAOYSA-N -1 0 342.351 2.467 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC001464393179 1110393244 /nfs/dbraw/zinc/39/32/44/1110393244.db2.gz GFIXMOGSWLZRBK-UHFFFAOYSA-N -1 0 329.263 2.090 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2CCc3nc(F)ccc32)cc1C#N ZINC001532092019 1122641410 /nfs/dbraw/zinc/64/14/10/1122641410.db2.gz CDSQXIYZCUNRBQ-UHFFFAOYSA-N -1 0 330.344 2.118 10 30 EEEERM C=CC[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000161299009 539526412 /nfs/dbraw/zinc/52/64/12/539526412.db2.gz DPSPPGSSZHSDOP-RXMQYKEDSA-N -1 0 330.214 2.363 10 30 EEEERM Cc1cc(C)cc(OCC(=O)c2c(C)c(C#N)c(=O)n(C)c2[O-])c1 ZINC000038615927 213217506 /nfs/dbraw/zinc/21/75/06/213217506.db2.gz PPMOTPFKLMJFRN-UHFFFAOYSA-N -1 0 326.352 2.150 10 30 EEEERM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)cc1C#N ZINC000427120134 241378980 /nfs/dbraw/zinc/37/89/80/241378980.db2.gz QCXVVIXNJULSET-UHFFFAOYSA-N -1 0 332.385 2.245 10 30 EEEERM C=CCC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(=O)OCC ZINC000456620119 244305856 /nfs/dbraw/zinc/30/58/56/244305856.db2.gz CIUBCISKINECBZ-GFCCVEGCSA-N -1 0 349.412 2.008 10 30 EEEERM COCC1(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CCCC1 ZINC000456863375 244374722 /nfs/dbraw/zinc/37/47/22/244374722.db2.gz YEECHFYOAPWTOG-UHFFFAOYSA-N -1 0 335.429 2.317 10 30 EEEERM CN(C)c1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000276616172 256450365 /nfs/dbraw/zinc/45/03/65/256450365.db2.gz UALBVCLMKNPYJN-UHFFFAOYSA-N -1 0 347.444 2.377 10 30 EEEERM C[C@H]1CCN(c2ccc(C#N)cn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288138943 267218647 /nfs/dbraw/zinc/21/86/47/267218647.db2.gz BHABWMUYXUZKHL-KWBADKCTSA-N -1 0 326.322 2.235 10 30 EEEERM CCn1cnc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c1 ZINC000439564343 267258869 /nfs/dbraw/zinc/25/88/69/267258869.db2.gz CLPGSLCRRMJHFV-UHFFFAOYSA-N -1 0 342.327 2.177 10 30 EEEERM CC(C)(CCCNS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000548220873 318366209 /nfs/dbraw/zinc/36/62/09/318366209.db2.gz LIAATXADGJVQCZ-UHFFFAOYSA-N -1 0 344.820 2.381 10 30 EEEERM Cc1ncc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)cc1C#N ZINC000563886541 319052346 /nfs/dbraw/zinc/05/23/46/319052346.db2.gz OIWYXYJTAQLVDS-UHFFFAOYSA-N -1 0 343.412 2.058 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)Nc2cnc(CC3CC3)nc2)cc1C#N ZINC000577012295 320224462 /nfs/dbraw/zinc/22/44/62/320224462.db2.gz SJZGZORAASAWDB-UHFFFAOYSA-N -1 0 341.396 2.376 10 30 EEEERM N#CCCN(CC1CCC1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000088429278 462629795 /nfs/dbraw/zinc/62/97/95/462629795.db2.gz WOVVVDABYXQNSO-UHFFFAOYSA-N -1 0 342.424 2.368 10 30 EEEERM O=C(CN1CCCCCC1=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048409735 462907036 /nfs/dbraw/zinc/90/70/36/462907036.db2.gz XCOJNXZXGLEGIT-UHFFFAOYSA-N -1 0 344.820 2.388 10 30 EEEERM C=CCOCCCC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000238144792 464435862 /nfs/dbraw/zinc/43/58/62/464435862.db2.gz JWDGCNZLAQVGSY-UHFFFAOYSA-N -1 0 329.356 2.492 10 30 EEEERM C=CCN1CC[C@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C1=O ZINC000281583471 464511833 /nfs/dbraw/zinc/51/18/33/464511833.db2.gz BSOKWRTXTREFFZ-LBPRGKRZSA-N -1 0 326.755 2.044 10 30 EEEERM C=CCCS(=O)(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000547915993 468425341 /nfs/dbraw/zinc/42/53/41/468425341.db2.gz LQSMVNSUCONMFD-UHFFFAOYSA-N -1 0 334.191 2.465 10 30 EEEERM CC1([C@H](NS(=O)(=O)CC2(C#N)CCCC2)C(=O)[O-])CCCCC1 ZINC000548357447 468434083 /nfs/dbraw/zinc/43/40/83/468434083.db2.gz BWECKLQFBATPQJ-CYBMUJFWSA-N -1 0 342.461 2.413 10 30 EEEERM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1C#N ZINC000427780903 467178341 /nfs/dbraw/zinc/17/83/41/467178341.db2.gz OMKMFTONVSLELB-UHFFFAOYSA-N -1 0 339.380 2.453 10 30 EEEERM COc1cccc(-c2nc(=NC(=O)NCC3(CC#N)CC3)s[n-]2)c1 ZINC000432433424 467240434 /nfs/dbraw/zinc/24/04/34/467240434.db2.gz JYQOTGHEAWVBEW-UHFFFAOYSA-N -1 0 343.412 2.451 10 30 EEEERM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435488616 467472943 /nfs/dbraw/zinc/47/29/43/467472943.db2.gz DCULBZXDWPHEPL-UHFFFAOYSA-N -1 0 335.410 2.403 10 30 EEEERM N#CCC1(CS(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])CC1 ZINC000518471457 468116802 /nfs/dbraw/zinc/11/68/02/468116802.db2.gz BTMFZOFCOXLEGC-UHFFFAOYSA-N -1 0 330.312 2.099 10 30 EEEERM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000576833819 468173393 /nfs/dbraw/zinc/17/33/93/468173393.db2.gz HIAQIGDJWDHMPI-LBPRGKRZSA-N -1 0 327.402 2.010 10 30 EEEERM C=CCCCS(=O)(=O)N(CCC(=O)[O-])c1ccccc1OC ZINC000576891363 468174307 /nfs/dbraw/zinc/17/43/07/468174307.db2.gz DNFRCOHOKODFJX-UHFFFAOYSA-N -1 0 327.402 2.272 10 30 EEEERM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000569683880 468527390 /nfs/dbraw/zinc/52/73/90/468527390.db2.gz PFIDYGXFHBHWKC-LBPRGKRZSA-N -1 0 327.402 2.172 10 30 EEEERM CCO[C@H](CS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N)C1CC1 ZINC000600652625 468611913 /nfs/dbraw/zinc/61/19/13/468611913.db2.gz WUIRKXOAEZLVLM-CYBMUJFWSA-N -1 0 340.449 2.067 10 30 EEEERM N#Cc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)cc1C(F)(F)F ZINC000594660109 468647198 /nfs/dbraw/zinc/64/71/98/468647198.db2.gz DMDIYNYXQWCKRA-CQSZACIVSA-N -1 0 342.273 2.397 10 30 EEEERM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccsc1C#N ZINC000593261331 468920984 /nfs/dbraw/zinc/92/09/84/468920984.db2.gz DOZYTRKLJUTLLG-VIFPVBQESA-N -1 0 330.431 2.178 10 30 EEEERM C=CCC[C@@H](NS(=O)(=O)c1cc(C)cc(C)c1OC)C(=O)[O-] ZINC000572738067 468985254 /nfs/dbraw/zinc/98/52/54/468985254.db2.gz PKYKABJQYAFTRL-GFCCVEGCSA-N -1 0 327.402 2.010 10 30 EEEERM CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601812367 469036510 /nfs/dbraw/zinc/03/65/10/469036510.db2.gz YJHNMPAWGXRZDU-AAEUAGOBSA-N -1 0 328.347 2.481 10 30 EEEERM Cc1ccc([C@H](NS(=O)(=O)c2cccc(CC#N)c2)C(=O)[O-])cc1 ZINC000619470391 469617727 /nfs/dbraw/zinc/61/77/27/469617727.db2.gz MZFIKLWTKHKUQJ-INIZCTEOSA-N -1 0 344.392 2.165 10 30 EEEERM C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632300987 470214494 /nfs/dbraw/zinc/21/44/94/470214494.db2.gz JKDFYMXRPJXUHZ-QMTHXVAHSA-N -1 0 331.821 2.305 10 30 EEEERM C=CCN(Cc1ccc(Cl)s1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662200031 472026649 /nfs/dbraw/zinc/02/66/49/472026649.db2.gz HAAZESHFWGTZBX-LLVKDONJSA-N -1 0 328.821 2.075 10 30 EEEERM CS[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000773756002 577363086 /nfs/dbraw/zinc/36/30/86/577363086.db2.gz GIFGTUYDWZJAQV-LLVKDONJSA-N -1 0 326.443 2.036 10 30 EEEERM COc1cc(C(C)=NN=C(C)c2cnccn2)cc([N+](=O)[O-])c1[O-] 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N#CCCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000297183626 465247651 /nfs/dbraw/zinc/24/76/51/465247651.db2.gz LJEBNJZRPJECTK-GJZGRUSLSA-N -1 0 336.413 2.158 10 30 EEEERM Cn1c2ccsc2c([O-])c(C(=O)Nc2cccc(C#N)c2)c1=O ZINC000065215309 462742790 /nfs/dbraw/zinc/74/27/90/462742790.db2.gz BAMIBLBUGCEYEY-UHFFFAOYSA-N -1 0 325.349 2.430 10 30 EEEERM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CC3CCCCC3)c2n1 ZINC000076100451 462807381 /nfs/dbraw/zinc/80/73/81/462807381.db2.gz NHYJTUQPGCNBSO-UHFFFAOYSA-N -1 0 336.417 2.252 10 30 EEEERM N#Cc1ccc2ncc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])n2c1 ZINC000134288455 463022306 /nfs/dbraw/zinc/02/23/06/463022306.db2.gz UKOYUPWTUGGQHY-NSCUHMNNSA-N -1 0 335.279 2.378 10 30 EEEERM CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N/c1ccc(Br)cc1 ZINC000100263644 463373320 /nfs/dbraw/zinc/37/33/20/463373320.db2.gz FGBILWHAVYNQPG-DMPSHJKHSA-N -1 0 343.202 2.485 10 30 EEEERM N#CCN1CCC[C@@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000287634943 463953039 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FPMKVYDRCAOSGT-UHFFFAOYSA-N -1 0 325.390 2.405 10 30 EEEERM CCN(C[C@H](C)C#N)S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000572004590 468871442 /nfs/dbraw/zinc/87/14/42/468871442.db2.gz ICGYEVNFEOZQEK-SECBINFHSA-N -1 0 345.808 2.176 10 30 EEEERM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCc3cccnc32)c(F)c1 ZINC000601525890 468907701 /nfs/dbraw/zinc/90/77/01/468907701.db2.gz GYUPONWFJRGBLA-LBPRGKRZSA-N -1 0 349.362 2.240 10 30 EEEERM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2nc3n(n2)CCCC3)cc1 ZINC000593280738 468926090 /nfs/dbraw/zinc/92/60/90/468926090.db2.gz KRZGGRONVMJCJD-UHFFFAOYSA-N -1 0 345.428 2.216 10 30 EEEERM N#Cc1ccc(C(F)(F)F)c(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000595968125 469101445 /nfs/dbraw/zinc/10/14/45/469101445.db2.gz PRAWPUUUADTCMG-QMTHXVAHSA-N -1 0 326.274 2.114 10 30 EEEERM CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000588044891 469109273 /nfs/dbraw/zinc/10/92/73/469109273.db2.gz BOCDGGUTPFBUAG-GFCCVEGCSA-N -1 0 326.404 2.458 10 30 EEEERM 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/nfs/dbraw/zinc/12/99/54/469129954.db2.gz UQVKRXOZRFYIOT-UHFFFAOYSA-N -1 0 332.385 2.165 10 30 EEEERM COc1cccc(-c2nc(=NC(=O)N3CC[C@](C)(C#N)C3)s[n-]2)c1 ZINC000596826417 469371658 /nfs/dbraw/zinc/37/16/58/469371658.db2.gz OBAWDKIQZDZOHR-MRXNPFEDSA-N -1 0 343.412 2.403 10 30 EEEERM C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC000629334080 469511438 /nfs/dbraw/zinc/51/14/38/469511438.db2.gz JNMQKAJAWYKBSV-ZDUSSCGKSA-N -1 0 335.425 2.390 10 30 EEEERM C=C(C)C[C@@H](NC(=O)NCc1ccccc1Cn1cccn1)C(=O)[O-] ZINC000630467248 469862025 /nfs/dbraw/zinc/86/20/25/469862025.db2.gz IVDLZHPEOQCVET-MRXNPFEDSA-N -1 0 342.399 2.150 10 30 EEEERM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cn1 ZINC000727243675 576415182 /nfs/dbraw/zinc/41/51/82/576415182.db2.gz URVGYJMNSBGQLY-UHFFFAOYSA-N -1 0 331.401 2.456 10 30 EEEERM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(COC)n1 ZINC000773978247 577376055 /nfs/dbraw/zinc/37/60/55/577376055.db2.gz AGNDSLPHQDZUOK-NSHDSACASA-N -1 0 343.339 2.181 10 30 EEEERM C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000775240622 577433358 /nfs/dbraw/zinc/43/33/58/577433358.db2.gz NIALFXRJQXBTIP-ZDUSSCGKSA-N -1 0 346.408 2.467 10 30 EEEERM CSCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000760409854 577662420 /nfs/dbraw/zinc/66/24/20/577662420.db2.gz WHMYZKMZDRIEEC-UHFFFAOYSA-N -1 0 332.491 2.440 10 30 EEEERM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cccc(F)c2)CCCCC1 ZINC000760408719 577662445 /nfs/dbraw/zinc/66/24/45/577662445.db2.gz LBSGAYOWCWXABJ-UHFFFAOYSA-N -1 0 338.404 2.288 10 30 EEEERM CCO[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C)C(C)C ZINC000761189691 577678670 /nfs/dbraw/zinc/67/86/70/577678670.db2.gz NESXLEJADUGOMP-CQSZACIVSA-N -1 0 338.429 2.123 10 30 EEEERM CC(=O)[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000122448288 683254982 /nfs/dbraw/zinc/25/49/82/683254982.db2.gz RXNMIUZZKLEKRH-LBPRGKRZSA-N -1 0 336.413 2.149 10 30 EEEERM N#CCc1ccc(CNC(=O)[C@H]2C[C@]2(C(=O)[O-])c2ccccc2)cc1 ZINC000905115346 694534168 /nfs/dbraw/zinc/53/41/68/694534168.db2.gz JJZYYOWISAMUOQ-XLIONFOSSA-N -1 0 334.375 2.411 10 30 EEEERM C=CCOc1ccccc1CNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC000905527133 1189770287 /nfs/dbraw/zinc/77/02/87/1189770287.db2.gz WQLFBCJNFHSIBJ-LSDHHAIUSA-N -1 0 348.399 2.073 10 30 EEEERM Cc1cc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)sc1C(=O)[O-] ZINC000871925188 1197975380 /nfs/dbraw/zinc/97/53/80/1197975380.db2.gz OZGQTUZYPHSWTF-QMMMGPOBSA-N -1 0 328.415 2.068 10 30 EEEERM C=CCOCCCC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872757775 1198371188 /nfs/dbraw/zinc/37/11/88/1198371188.db2.gz KRXLEFMBQCAEHP-UHFFFAOYSA-N -1 0 333.384 2.261 10 30 EEEERM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3cc(OC)ccc32)CC1 ZINC000873530968 1198632498 /nfs/dbraw/zinc/63/24/98/1198632498.db2.gz GPAJJCZZBGMXAT-OAHLLOKOSA-N -1 0 335.425 2.280 10 30 EEEERM COCCCNC(=O)C(C#N)=C([O-])c1cc2cc(Cl)sc2[nH]1 ZINC000810528434 1199568397 /nfs/dbraw/zinc/56/83/97/1199568397.db2.gz UWNHLENJCZLATI-SECBINFHSA-N -1 0 339.804 2.358 10 30 EEEERM Cc1nn(C)c2nc(C)c(CC(=O)[N-]Oc3cccc(C#N)c3)c(C)c12 ZINC000870692462 1200816000 /nfs/dbraw/zinc/81/60/00/1200816000.db2.gz FLMCXGWUYOAYGM-UHFFFAOYSA-N -1 0 349.394 2.418 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)Cc2coc(-c3cccs3)n2)CC1 ZINC000870832642 1200898660 /nfs/dbraw/zinc/89/86/60/1200898660.db2.gz NJRPDRZNVONWBE-UHFFFAOYSA-N -1 0 338.410 2.110 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)CCc2ccc(OC(F)F)cc2)CC1 ZINC000870833028 1200898705 /nfs/dbraw/zinc/89/87/05/1200898705.db2.gz KABPFOYEQBYZRS-UHFFFAOYSA-N -1 0 345.367 2.385 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCCCC3=O)CC1 ZINC000870838183 1200902138 /nfs/dbraw/zinc/90/21/38/1200902138.db2.gz OOHZYDZLAUQZJW-UHFFFAOYSA-N -1 0 333.409 2.374 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)Cc2cccc(OC/C=C\C)c2)CC1 ZINC000870838279 1200902234 /nfs/dbraw/zinc/90/22/34/1200902234.db2.gz SEEYIQOCVWQHJS-HYXAFXHYSA-N -1 0 335.425 2.349 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)CC1 ZINC000870839709 1200903036 /nfs/dbraw/zinc/90/30/36/1200903036.db2.gz TUIQSDFNVURXQM-LBPRGKRZSA-N -1 0 343.351 2.251 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)C2(c3ccnc4ccccc43)CC2)CC1 ZINC000870839379 1200903429 /nfs/dbraw/zinc/90/34/29/1200903429.db2.gz JHPOMQSMKYDZMY-UHFFFAOYSA-N -1 0 342.420 2.431 10 30 EEEERM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000867861072 1201695390 /nfs/dbraw/zinc/69/53/90/1201695390.db2.gz ZRTPPWSUZCTVBN-UHFFFAOYSA-N -1 0 346.399 2.444 10 30 EEEERM C=CCOc1cccc(NC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000887379941 1204290497 /nfs/dbraw/zinc/29/04/97/1204290497.db2.gz LVSWZCRLAIPPEW-LSDHHAIUSA-N -1 0 334.372 2.395 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C ZINC001412227187 1205671329 /nfs/dbraw/zinc/67/13/29/1205671329.db2.gz RTOIHXSKFSOZHY-NSHDSACASA-N -1 0 333.388 2.017 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cc1C#N ZINC001412370166 1205707300 /nfs/dbraw/zinc/70/73/00/1205707300.db2.gz REFHHUMDORTBRA-QMTHXVAHSA-N -1 0 343.408 2.233 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)C[C@H](O)c1cccs1 ZINC001412724149 1205847571 /nfs/dbraw/zinc/84/75/71/1205847571.db2.gz HMYFEJUCUBTFSA-PWSUYJOCSA-N -1 0 331.397 2.271 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)N[C@H](COC)c1ccccc1)C(=O)[O-] ZINC000929029790 1206440091 /nfs/dbraw/zinc/44/00/91/1206440091.db2.gz ODHXFYRIIMVAAJ-CHWSQXEVSA-N -1 0 326.780 2.269 10 30 EEEERM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000044012292 1208336109 /nfs/dbraw/zinc/33/61/09/1208336109.db2.gz JZQOJGIVHOCNGB-UZPSYVQNSA-N -1 0 327.344 2.178 10 30 EEEERM Cc1oc(C2CC2)nc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000796775597 1215456935 /nfs/dbraw/zinc/45/69/35/1215456935.db2.gz BDFAGBNXBOWVRH-CYBMUJFWSA-N -1 0 333.388 2.114 10 30 EEEERM C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000903059762 1239642849 /nfs/dbraw/zinc/64/28/49/1239642849.db2.gz UXDOZWGPHPEEAF-NSHDSACASA-N -1 0 347.820 2.436 10 30 EEEERM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)C(F)=C2CCC2)c1 ZINC000851190956 1277510891 /nfs/dbraw/zinc/51/08/91/1277510891.db2.gz MODIWGDCDYHTFT-UHFFFAOYSA-N -1 0 326.324 2.051 10 30 EEEERM N#CC1(CC(=O)[N-]S(=O)(=O)CC[C@@H]2CCc3ccccc32)CC1 ZINC000851549205 1277653649 /nfs/dbraw/zinc/65/36/49/1277653649.db2.gz UECRCONFLIYHGM-AWEZNQCLSA-N -1 0 332.425 2.246 10 30 EEEERM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000861016372 1295219539 /nfs/dbraw/zinc/21/95/39/1295219539.db2.gz YGRKSKXJXTWGPV-YRGRVCCFSA-N -1 0 336.388 2.080 10 30 EEEERM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000861016369 1295220105 /nfs/dbraw/zinc/22/01/05/1295220105.db2.gz YGRKSKXJXTWGPV-SCRDCRAPSA-N -1 0 336.388 2.080 10 30 EEEERM C=C(Cl)C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)C(=O)[O-] ZINC000863419795 1296272623 /nfs/dbraw/zinc/27/26/23/1296272623.db2.gz GSJVQZGOBBHLTJ-LLVKDONJSA-N -1 0 338.212 2.355 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)CCCN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000864184189 1296446361 /nfs/dbraw/zinc/44/63/61/1296446361.db2.gz PAJBDALKPPEIAM-NSHDSACASA-N -1 0 348.827 2.346 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NCc1c(OC)cccc1OC)C(=O)[O-] ZINC000864528642 1296576492 /nfs/dbraw/zinc/57/64/92/1296576492.db2.gz RIIYTFNVYKSCTK-LLVKDONJSA-N -1 0 342.779 2.099 10 30 EEEERM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc(C=O)c2)C1=O ZINC001139684343 1314758395 /nfs/dbraw/zinc/75/83/95/1314758395.db2.gz ORXMQNBCKSHEPS-QGZVFWFLSA-N -1 0 349.387 2.408 10 30 EEEERM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC000842871109 1315788491 /nfs/dbraw/zinc/78/84/91/1315788491.db2.gz LXVSDUXZNZRLMV-HNNXBMFYSA-N -1 0 347.383 2.140 10 30 EEEERM C=C[C@H](CC)CC(=O)N1CCC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001285155278 1326892762 /nfs/dbraw/zinc/89/27/62/1326892762.db2.gz NQQYLLKZZHXGEM-KGLIPLIRSA-N -1 0 348.447 2.089 10 30 EEEERM C=CCCC[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001331523884 1335030520 /nfs/dbraw/zinc/03/05/20/1335030520.db2.gz YEJSQEOFXWVPQC-OWCLPIDISA-N -1 0 344.411 2.180 10 30 EEEERM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001343697924 1337345309 /nfs/dbraw/zinc/34/53/09/1337345309.db2.gz SKPWMNDSTDMWFV-NEPJUHHUSA-N -1 0 348.476 2.291 10 30 EEEERM Cc1cc(=O)c2cc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)ccc2[nH]1 ZINC001626904497 1352476961 /nfs/dbraw/zinc/47/69/61/1352476961.db2.gz PPZQUNOKLJYBLM-UHFFFAOYSA-N -1 0 334.335 2.370 10 30 EEEERM Cc1scc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1C ZINC000180749646 775034276 /nfs/dbraw/zinc/03/42/76/775034276.db2.gz NNEIIYKEGPVCDM-UHFFFAOYSA-N -1 0 334.422 2.496 10 30 EEEERM CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000905996025 783627729 /nfs/dbraw/zinc/62/77/29/783627729.db2.gz XRRPRAIYEDNTIP-CQSZACIVSA-N -1 0 336.413 2.159 10 30 EEEERM C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000906007023 783638586 /nfs/dbraw/zinc/63/85/86/783638586.db2.gz QPHOOXQSCCWRQB-UHFFFAOYSA-N -1 0 333.768 2.131 10 30 EEEERM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000817711735 784949417 /nfs/dbraw/zinc/94/94/17/784949417.db2.gz DYNBCDGVIGUIPU-SNVBAGLBSA-N -1 0 344.314 2.182 10 30 EEEERM C=CCSCCNC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000908605402 785560498 /nfs/dbraw/zinc/56/04/98/785560498.db2.gz PWVBOSKAYDCFOV-AWEZNQCLSA-N -1 0 336.413 2.136 10 30 EEEERM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000819963559 785721052 /nfs/dbraw/zinc/72/10/52/785721052.db2.gz IWVKRSIMTZYZMA-UHFFFAOYSA-N -1 0 347.234 2.251 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CCc2ccccc2OC1)C(=O)[O-] ZINC000909084413 785986059 /nfs/dbraw/zinc/98/60/59/785986059.db2.gz SCYCSDXEHGUTIA-CHWSQXEVSA-N -1 0 338.791 2.275 10 30 EEEERM C=C(C)C[C@H](NC(=O)NCc1ccccc1-c1cnn(C)c1)C(=O)[O-] ZINC000909115939 786002367 /nfs/dbraw/zinc/00/23/67/786002367.db2.gz RJIXMJFXBDKOLC-INIZCTEOSA-N -1 0 342.399 2.306 10 30 EEEERM C#CC[C@H](NC(=O)CCC(=O)c1ccc(OCCC)cc1)C(=O)[O-] ZINC000910045435 786416171 /nfs/dbraw/zinc/41/61/71/786416171.db2.gz DKLBXASMKBIBHZ-HNNXBMFYSA-N -1 0 331.368 2.031 10 30 EEEERM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C)CCOCC1 ZINC000820982199 786546671 /nfs/dbraw/zinc/54/66/71/786546671.db2.gz CLOMOQVPMHPWCD-UHFFFAOYSA-N -1 0 337.441 2.314 10 30 EEEERM C=CCC1(C(=O)OCC(=O)[N-]OCc2ccccc2)CCOCC1 ZINC000821166826 786640008 /nfs/dbraw/zinc/64/00/08/786640008.db2.gz HWTCVTJKVTZTTL-UHFFFAOYSA-N -1 0 333.384 2.151 10 30 EEEERM C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000910913677 787118228 /nfs/dbraw/zinc/11/82/28/787118228.db2.gz AGYGTBYWDVABEX-KFWWJZLASA-N -1 0 345.395 2.487 10 30 EEEERM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC000911024667 787180060 /nfs/dbraw/zinc/18/00/60/787180060.db2.gz YWWQMLNUGPTTOM-ZFWWWQNUSA-N -1 0 331.368 2.087 10 30 EEEERM N#C[C@@]1(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC2CCC1CC2 ZINC000923101564 788835080 /nfs/dbraw/zinc/83/50/80/788835080.db2.gz JRMPAVDFFPORGV-ATBVLRGVSA-N -1 0 346.427 2.235 10 30 EEEERM C=CCOCCCC(=O)[N-]S(=O)(=O)Cc1cccc2ncccc12 ZINC000845712812 789921941 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N#Cc1ccc(C2(C(=O)NC3(c4nnn[n-]4)CCC3)CCCC2)cc1 ZINC001471659719 1110527441 /nfs/dbraw/zinc/52/74/41/1110527441.db2.gz CDQQEUSQGUCZNW-UHFFFAOYSA-N -1 0 336.399 2.079 10 30 EEEERM C#CCCC[N-]S(=O)(=O)c1c(F)cc(Br)cc1F ZINC001475270710 1110609635 /nfs/dbraw/zinc/60/96/35/1110609635.db2.gz YIWANZNCWBSNHZ-UHFFFAOYSA-N -1 0 338.173 2.419 10 30 EEEERM C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001501305297 1113288821 /nfs/dbraw/zinc/28/88/21/1113288821.db2.gz SSALGZGECUOTGY-CHWSQXEVSA-N -1 0 348.447 2.041 10 30 EEEERM C=C(C)CCC(=O)N[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])C(C)(C)C ZINC001511784395 1118250454 /nfs/dbraw/zinc/25/04/54/1118250454.db2.gz OAHKKNZAGFOECF-LBPRGKRZSA-N -1 0 336.436 2.041 10 30 EEEERM N#Cc1ccc([O-])c(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)c1 ZINC001546332312 1118402596 /nfs/dbraw/zinc/40/25/96/1118402596.db2.gz DOBGNIBBTUCGNE-CYBMUJFWSA-N -1 0 339.376 2.470 10 30 EEEERM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(C#N)c(Cl)n1 ZINC001525331711 1120304438 /nfs/dbraw/zinc/30/44/38/1120304438.db2.gz RMOMVKIWMGTTIP-UHFFFAOYSA-N -1 0 345.771 2.070 10 30 EEEERM C=CCO[C@@H](C)C(=O)NC1CCC(NC(=O)c2ccccc2O)CC1 ZINC001526298365 1120492451 /nfs/dbraw/zinc/49/24/51/1120492451.db2.gz RZUMBSRHNNGQKS-NFOMZHRRSA-N -1 0 346.427 2.141 10 30 EEEERM CCOC(=O)CCCCCCNC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001544434008 1124153774 /nfs/dbraw/zinc/15/37/74/1124153774.db2.gz GOEKAMLOHLWAIX-UHFFFAOYSA-N -1 0 333.388 2.211 10 30 EEEERM C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263328561 296209819 /nfs/dbraw/zinc/20/98/19/296209819.db2.gz LIFWOMYVODYFDC-YUELXQCFSA-N -1 0 330.384 2.475 10 30 EEEERM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1 ZINC000119838230 142379319 /nfs/dbraw/zinc/37/93/19/142379319.db2.gz FXIWSODYNGIGDE-UHFFFAOYSA-N -1 0 325.353 2.144 10 30 EEEERM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1 ZINC000116602359 152057337 /nfs/dbraw/zinc/05/73/37/152057337.db2.gz JYGTXFLMGCJEAT-UHFFFAOYSA-N -1 0 336.804 2.473 10 30 EEEERM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000131464137 292388381 /nfs/dbraw/zinc/38/83/81/292388381.db2.gz RCIDUSZDDGPYAU-UHFFFAOYSA-N -1 0 330.365 2.454 10 30 EEEERM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000092865006 159227725 /nfs/dbraw/zinc/22/77/25/159227725.db2.gz SBFCUSPHYSIECK-UHFFFAOYSA-N -1 0 339.380 2.453 10 30 EEEERM N#Cc1ccnc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000342573711 161075158 /nfs/dbraw/zinc/07/51/58/161075158.db2.gz RUDCDOQLILJAPS-UHFFFAOYSA-N -1 0 328.275 2.168 10 30 EEEERM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)C1(C)C ZINC000344903012 161254736 /nfs/dbraw/zinc/25/47/36/161254736.db2.gz UISXQEPILFQDNP-JFUSQASVSA-N -1 0 335.429 2.170 10 30 EEEERM Cc1nc(-c2ccc(CCn3cc(C#N)c(=O)[n-]c3=O)cc2)cs1 ZINC000048325395 462893102 /nfs/dbraw/zinc/89/31/02/462893102.db2.gz MGNGTYJKCAUDPJ-UHFFFAOYSA-N -1 0 338.392 2.495 10 30 EEEERM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1 ZINC000048460595 462912445 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N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)cc1F ZINC000427802063 467178955 /nfs/dbraw/zinc/17/89/55/467178955.db2.gz UAJRISAOPQLYFN-UHFFFAOYSA-N -1 0 346.387 2.493 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2CCC(OC(C)C)CC2)cc1C#N ZINC000530683132 468001947 /nfs/dbraw/zinc/00/19/47/468001947.db2.gz KMHPZKOOCVCCNS-UHFFFAOYSA-N -1 0 335.429 2.410 10 30 EEEERM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cccc(Br)c1 ZINC000570290592 468618648 /nfs/dbraw/zinc/61/86/48/468618648.db2.gz CGIPOKIYSOTUAH-SNVBAGLBSA-N -1 0 348.218 2.147 10 30 EEEERM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1C#N)[C@@H]1CCOC1 ZINC000594724783 468665183 /nfs/dbraw/zinc/66/51/83/468665183.db2.gz XHQQKYSOBUJYPW-BXUZGUMPSA-N -1 0 344.820 2.005 10 30 EEEERM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594790120 468686353 /nfs/dbraw/zinc/68/63/53/468686353.db2.gz RXBYZZIQAHXFJW-VXGBXAGGSA-N -1 0 325.390 2.403 10 30 EEEERM CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000592447789 468700424 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C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000647491450 470913687 /nfs/dbraw/zinc/91/36/87/470913687.db2.gz UEHAMNBZGYHYPX-KGLIPLIRSA-N -1 0 330.384 2.113 10 30 EEEERM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000659659392 471710825 /nfs/dbraw/zinc/71/08/25/471710825.db2.gz SMVXAQBVDXEWHV-GDBMZVCRSA-N -1 0 344.411 2.252 10 30 EEEERM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000659660525 471712139 /nfs/dbraw/zinc/71/21/39/471712139.db2.gz KDOHKBRMOUNGGV-ZIAGYGMSSA-N -1 0 338.448 2.245 10 30 EEEERM CC[C@H]1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C[C@H](CC)O1 ZINC000421964296 536127653 /nfs/dbraw/zinc/12/76/53/536127653.db2.gz XOHBQXZCOVQCGZ-RYUDHWBXSA-N -1 0 335.429 2.410 10 30 EEEERM CCn1nc(C)cc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000726019192 576195957 /nfs/dbraw/zinc/19/59/57/576195957.db2.gz HYWLYHFSLXGOCF-NSHDSACASA-N -1 0 332.385 2.010 10 30 EEEERM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000775003954 577426040 /nfs/dbraw/zinc/42/60/40/577426040.db2.gz QHCCOBUPLFYUNH-HJWRWDBZSA-N -1 0 348.330 2.355 10 30 EEEERM CC(C)(C)c1noc(C=Nn2c(=O)c3ccccc3[n-]c2=S)n1 ZINC000758101155 577615984 /nfs/dbraw/zinc/61/59/84/577615984.db2.gz VBSMZQORUAYLQS-UHFFFAOYSA-N -1 0 329.385 2.248 10 30 EEEERM C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)c1ccncc1 ZINC000759171976 577638394 /nfs/dbraw/zinc/63/83/94/577638394.db2.gz PVFUWIFTWUOVKR-ZDUSSCGKSA-N -1 0 343.408 2.093 10 30 EEEERM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cccc(C#N)c2)n1 ZINC000750430521 577991979 /nfs/dbraw/zinc/99/19/79/577991979.db2.gz NINWREKKSABWLT-AWEZNQCLSA-N -1 0 339.376 2.285 10 30 EEEERM CC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000048588753 676228688 /nfs/dbraw/zinc/22/86/88/676228688.db2.gz CFKQOOFDNRTEPL-UHFFFAOYSA-N -1 0 336.344 2.478 10 30 EEEERM C#Cc1cccc(NC(=O)CN(C)C(=O)c2c([O-])cc(F)cc2F)c1 ZINC000066047630 681320765 /nfs/dbraw/zinc/32/07/65/681320765.db2.gz OQQKFWUXDJWGCY-UHFFFAOYSA-N -1 0 344.317 2.362 10 30 EEEERM 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C=C(Cl)C[C@H](NC(=O)NCc1cnn(CC2CCC2)c1)C(=O)[O-] ZINC000929021167 1206439079 /nfs/dbraw/zinc/43/90/79/1206439079.db2.gz ZZIZPVCAVKPDRE-ZDUSSCGKSA-N -1 0 340.811 2.078 10 30 EEEERM C#CC1(O)CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000931150747 1206611240 /nfs/dbraw/zinc/61/12/40/1206611240.db2.gz HTKLETXMHYDIMR-UHFFFAOYSA-N -1 0 333.771 2.112 10 30 EEEERM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nn(C)c2C)cc1 ZINC000042272979 1208303960 /nfs/dbraw/zinc/30/39/60/1208303960.db2.gz RDRCWXATIXIDLX-UHFFFAOYSA-N -1 0 349.412 2.127 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001412773592 1208446532 /nfs/dbraw/zinc/44/65/32/1208446532.db2.gz KGIIFLNLOGWAKB-BUBHHJDNSA-N -1 0 343.408 2.196 10 30 EEEERM COC(=O)c1cc(S(=O)(=O)NCCCCC#N)c(F)cc1Cl ZINC000795821656 1215104728 /nfs/dbraw/zinc/10/47/28/1215104728.db2.gz FCWXGTPJFOECIW-UHFFFAOYSA-N -1 0 348.783 2.238 10 30 EEEERM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1 ZINC001412883332 1216047285 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C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC2CC2)c(CC)n1 ZINC000851477083 1277625338 /nfs/dbraw/zinc/62/53/38/1277625338.db2.gz XYXZSOUVUSQOEB-LBPRGKRZSA-N -1 0 339.461 2.263 10 30 EEEERM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1OC ZINC000851505194 1277635686 /nfs/dbraw/zinc/63/56/86/1277635686.db2.gz WOQREKGOIUADCK-UHFFFAOYSA-N -1 0 327.377 2.408 10 30 EEEERM C=CCC1(S(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000860771851 1295103493 /nfs/dbraw/zinc/10/34/93/1295103493.db2.gz GIINFNSYLAULRF-UHFFFAOYSA-N -1 0 349.412 2.157 10 30 EEEERM C=CC[C@H](C)OC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000860900495 1295164483 /nfs/dbraw/zinc/16/44/83/1295164483.db2.gz COSCLYAFTXCNIO-JTQLQIEISA-N -1 0 343.401 2.197 10 30 EEEERM CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)c1ccc(C#N)cc1 ZINC000861552551 1295452065 /nfs/dbraw/zinc/45/20/65/1295452065.db2.gz OQXROKNOHHCNAN-ZDUSSCGKSA-N -1 0 339.399 2.066 10 30 EEEERM O=S1(=O)CCC[C@@H](NN=Cc2cc(Cl)c([O-])cc2Cl)C1 ZINC000863132050 1296128333 /nfs/dbraw/zinc/12/83/33/1296128333.db2.gz AFWJVEAMIIRHBZ-SECBINFHSA-N -1 0 337.228 2.200 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)CSCc1c(C)noc1C)C(=O)[O-] ZINC000864184773 1296446025 /nfs/dbraw/zinc/44/60/25/1296446025.db2.gz RICXEUYWEHSVLA-NSHDSACASA-N -1 0 332.809 2.237 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NCCc1cccc(OC)c1)C(=O)[O-] ZINC000864521401 1296573193 /nfs/dbraw/zinc/57/31/93/1296573193.db2.gz AQFHZEVVRQBRPP-CYBMUJFWSA-N -1 0 326.780 2.133 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)NCc1cc(COC)cs1)C(=O)[O-] ZINC000864530448 1296576254 /nfs/dbraw/zinc/57/62/54/1296576254.db2.gz YGJRDRRSBGPFRW-NSHDSACASA-N -1 0 332.809 2.290 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)NCCc1ccc(OC)c(F)c1)C(=O)[O-] ZINC000864528421 1296576820 /nfs/dbraw/zinc/57/68/20/1296576820.db2.gz PQACARXMLPHSFM-LBPRGKRZSA-N -1 0 344.770 2.272 10 30 EEEERM C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000842426196 1315702891 /nfs/dbraw/zinc/70/28/91/1315702891.db2.gz WLFNMYSNPDDGAG-VIFPVBQESA-N -1 0 347.339 2.415 10 30 EEEERM C=CC[C@H](NC(=O)c1cnn(C(C)(C)C)c1Br)C(=O)[O-] ZINC001327495192 1334302086 /nfs/dbraw/zinc/30/20/86/1334302086.db2.gz GREJITWUYWSUGA-VIFPVBQESA-N -1 0 344.209 2.160 10 30 EEEERM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC001335823543 1336432528 /nfs/dbraw/zinc/43/25/28/1336432528.db2.gz FHFCMMVWLPLRKK-WCBMZHEXSA-N -1 0 331.294 2.490 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOc2cccc(F)c2C1 ZINC001433934746 1341725059 /nfs/dbraw/zinc/72/50/59/1341725059.db2.gz FRJXCINAWXJXBP-UHFFFAOYSA-N -1 0 327.315 2.141 10 30 EEEERM C=C(C)CO[N-]C(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC001628314236 1352529988 /nfs/dbraw/zinc/52/99/88/1352529988.db2.gz JXHSSEAFJMWXSE-VXGBXAGGSA-N -1 0 328.409 2.371 10 30 EEEERM O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001632986621 1352603485 /nfs/dbraw/zinc/60/34/85/1352603485.db2.gz NOALHJLYTKSMFF-SFHVURJKSA-N -1 0 343.390 2.229 10 30 EEEERM C=C[C@H](CC)CC(=O)N1CCC(N(C)C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001679566125 1357723762 /nfs/dbraw/zinc/72/37/62/1357723762.db2.gz FQDQSZOHOKQYCV-CYBMUJFWSA-N -1 0 348.447 2.089 10 30 EEEERM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000077880261 777171645 /nfs/dbraw/zinc/17/16/45/777171645.db2.gz HJJLPFGHLBRGET-CYBMUJFWSA-N -1 0 334.397 2.286 10 30 EEEERM C#CCCCS(=O)(=O)[N-]c1nc(-c2ncccc2Cl)ns1 ZINC000888096832 777668972 /nfs/dbraw/zinc/66/89/72/777668972.db2.gz NTUVYHGISFZRTI-UHFFFAOYSA-N -1 0 342.833 2.409 10 30 EEEERM C#CC[C@H]1CCCN(S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 ZINC000907024455 784331945 /nfs/dbraw/zinc/33/19/45/784331945.db2.gz DAXBSEKQXITASO-LBPRGKRZSA-N -1 0 339.388 2.256 10 30 EEEERM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H]3CC)cc2[n-]c1=S ZINC000817063591 784472392 /nfs/dbraw/zinc/47/23/92/784472392.db2.gz YXBDGVFLTHUISU-GFCCVEGCSA-N -1 0 329.425 2.496 10 30 EEEERM C#CC[C@@H](NC(=O)Nc1ccc(COC)c(C(F)(F)F)c1)C(=O)[O-] ZINC000908627961 785578728 /nfs/dbraw/zinc/57/87/28/785578728.db2.gz KEUWZYGLORPDFT-GFCCVEGCSA-N -1 0 344.289 2.450 10 30 EEEERM C=CCN(CCc1ccccc1)C(=O)COCc1ocnc1C(=O)[O-] ZINC000908760509 785705484 /nfs/dbraw/zinc/70/54/84/785705484.db2.gz OFKGRBPUYKELGX-UHFFFAOYSA-N -1 0 344.367 2.147 10 30 EEEERM C=CCCC[C@H](NC(=O)NC[C@@H]1OCCc2ccccc21)C(=O)[O-] ZINC000908994067 785924059 /nfs/dbraw/zinc/92/40/59/785924059.db2.gz NMOFTQCQIFKWSG-HOTGVXAUSA-N -1 0 332.400 2.409 10 30 EEEERM C#CCSCCNC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000909051864 785968316 /nfs/dbraw/zinc/96/83/16/785968316.db2.gz GRFKTFPVBUIMFL-CQSZACIVSA-N -1 0 346.408 2.094 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)NCC1(c2ccccn2)CCC1)C(=O)[O-] ZINC000909181935 786070999 /nfs/dbraw/zinc/07/09/99/786070999.db2.gz OUYLLYJVAOUKHH-LBPRGKRZSA-N -1 0 337.807 2.398 10 30 EEEERM C=C[C@](C)(CCOC)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000909237770 786118217 /nfs/dbraw/zinc/11/82/17/786118217.db2.gz HWJADSOUKHFESO-RDTXWAMCSA-N -1 0 337.391 2.414 10 30 EEEERM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000909817356 786273397 /nfs/dbraw/zinc/27/33/97/786273397.db2.gz FLJDPIFYORUQFW-HOCLYGCPSA-N -1 0 347.415 2.034 10 30 EEEERM C=C(C)C[C@@H](NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)C(=O)[O-] ZINC000910287065 786618541 /nfs/dbraw/zinc/61/85/41/786618541.db2.gz MOSNLNOXFSBTQA-YGRLFVJLSA-N -1 0 349.305 2.264 10 30 EEEERM C=CCCC[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000910916909 787121345 /nfs/dbraw/zinc/12/13/45/787121345.db2.gz KNKPAWAHTWKPIW-SNVBAGLBSA-N -1 0 333.310 2.136 10 30 EEEERM C=CCCC[C@@H](NC(=O)c1scnc1Br)C(=O)[O-] ZINC000910925214 787127423 /nfs/dbraw/zinc/12/74/23/787127423.db2.gz JUQLOMZINMRNPO-SSDOTTSWSA-N -1 0 333.207 2.445 10 30 EEEERM N#CCC1(CS(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000844793459 789377235 /nfs/dbraw/zinc/37/72/35/789377235.db2.gz OOGXYNIRRMDEIO-LBPRGKRZSA-N -1 0 334.397 2.089 10 30 EEEERM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC000845435781 789775807 /nfs/dbraw/zinc/77/58/07/789775807.db2.gz UXVZIFJATVINNN-JKSUJKDBSA-N -1 0 332.425 2.331 10 30 EEEERM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000845439843 789777955 /nfs/dbraw/zinc/77/79/55/789777955.db2.gz MGROKTOHYUNZIY-GFCCVEGCSA-N -1 0 333.388 2.243 10 30 EEEERM COc1cccc(OCCCNC(=O)c2[n-]c(=O)c(C#N)cc2C)c1 ZINC001147249872 791752652 /nfs/dbraw/zinc/75/26/52/791752652.db2.gz GDORWZQYRUUOOD-UHFFFAOYSA-N -1 0 341.367 2.175 10 30 EEEERM CCOCCCNC(=O)C(C#N)=C([O-])c1sc(C(C)C)nc1C ZINC000916866779 797921931 /nfs/dbraw/zinc/92/19/31/797921931.db2.gz GOWXHSPLPLDDFH-GFCCVEGCSA-N -1 0 337.445 2.440 10 30 EEEERM C=CCCNS(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000917233875 798151531 /nfs/dbraw/zinc/15/15/31/798151531.db2.gz WVIVFAGNYJZAGK-UHFFFAOYSA-N -1 0 338.198 2.451 10 30 EEEERM N#Cc1cc(F)c(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000922102576 798940219 /nfs/dbraw/zinc/94/02/19/798940219.db2.gz YSEKXQVSHTWQHN-ZDUSSCGKSA-N -1 0 342.367 2.216 10 30 EEEERM N#CC1(CS(=O)(=O)[N-]C(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000793203210 810204722 /nfs/dbraw/zinc/20/47/22/810204722.db2.gz ATCLCUUIUYFHMA-UHFFFAOYSA-N -1 0 337.401 2.086 10 30 EEEERM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1(C(F)F)CCCC1 ZINC000808976620 812921795 /nfs/dbraw/zinc/92/17/95/812921795.db2.gz UTKYTNGXDSBCLG-UHFFFAOYSA-N -1 0 342.367 2.330 10 30 EEEERM COC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001566306367 1125594406 /nfs/dbraw/zinc/59/44/06/1125594406.db2.gz JBDTUVFFROBHQQ-QGZVFWFLSA-N -1 0 328.324 2.123 10 30 EEEERM N#Cc1ccc(-n2ccc(NC(=O)c3c[n-]ncc3=O)n2)c(Cl)c1 ZINC001546092343 1109691897 /nfs/dbraw/zinc/69/18/97/1109691897.db2.gz VUYMCHUMROIVSS-UHFFFAOYSA-N -1 0 340.730 2.145 10 30 EEEERM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC001464036737 1110385632 /nfs/dbraw/zinc/38/56/32/1110385632.db2.gz XWLWJPCQNKLZQN-NSHDSACASA-N -1 0 326.374 2.277 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOc1ccc(F)cc1F ZINC001465682963 1110421768 /nfs/dbraw/zinc/42/17/68/1110421768.db2.gz WQXDHTRAWSKVSD-UHFFFAOYSA-N -1 0 333.294 2.054 10 30 EEEERM COc1cccc(S([O-])=CC(=O)NCc2ccc(C#N)s2)c1 ZINC001469150310 1110486108 /nfs/dbraw/zinc/48/61/08/1110486108.db2.gz BFYKPLOJJDAQSM-JOCHJYFZSA-N -1 0 334.422 2.052 10 30 EEEERM N#Cc1nc(NC(=O)c2ccccc2NCC(F)(F)F)[n-]c1C#N ZINC001469565933 1110492797 /nfs/dbraw/zinc/49/27/97/1110492797.db2.gz GOIIEUBPXYRFMM-UHFFFAOYSA-N -1 0 334.261 2.380 10 30 EEEERM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001515627592 1118979597 /nfs/dbraw/zinc/97/95/97/1118979597.db2.gz VOPNFFYIGBLEMB-JSGCOSHPSA-N -1 0 341.419 2.089 10 30 EEEERM C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]([C@@H](F)C(=O)[O-])C1 ZINC001517380851 1119032238 /nfs/dbraw/zinc/03/22/38/1119032238.db2.gz IBBZXGUQSXRNIP-IAQYHMDHSA-N -1 0 337.347 2.145 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCc3c2cccc3O)cc1C#N ZINC000111604951 295672675 /nfs/dbraw/zinc/67/26/75/295672675.db2.gz QIWQMSLANQQSBL-CYBMUJFWSA-N -1 0 341.392 2.091 10 30 EEEERM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1ccco1 ZINC000095433328 218375597 /nfs/dbraw/zinc/37/55/97/218375597.db2.gz RECZPQHFTRQGAT-GFCCVEGCSA-N -1 0 340.788 2.471 10 30 EEEERM Cc1[nH]nc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1C#N ZINC000192621797 140873715 /nfs/dbraw/zinc/87/37/15/140873715.db2.gz UQBBXIKAUGQHGI-UHFFFAOYSA-N -1 0 332.385 2.104 10 30 EEEERM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000263137919 152383535 /nfs/dbraw/zinc/38/35/35/152383535.db2.gz NWFKEMMUHZQPBB-VHSXEESVSA-N -1 0 342.804 2.085 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N(C)Cc2cccc(C)n2)cc1C#N ZINC000355844343 153166109 /nfs/dbraw/zinc/16/61/09/153166109.db2.gz NUCIKGVXDGNSDO-UHFFFAOYSA-N -1 0 328.397 2.356 10 30 EEEERM COc1cccc(-c2nc(=NC(=O)c3cnccc3C#N)s[n-]2)c1 ZINC000342020029 161032326 /nfs/dbraw/zinc/03/23/26/161032326.db2.gz CQJNJUJCHFHQKX-UHFFFAOYSA-N -1 0 337.364 2.155 10 30 EEEERM N#Cc1ccccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1 ZINC000530143526 270022216 /nfs/dbraw/zinc/02/22/16/270022216.db2.gz XFCXXRPAIGUSBG-LSDHHAIUSA-N -1 0 348.424 2.070 10 30 EEEERM C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000275117624 269096067 /nfs/dbraw/zinc/09/60/67/269096067.db2.gz NRAFVXRZUPPSEP-TVQRCGJNSA-N -1 0 342.804 2.085 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)NCC[C@@H]2CCO[C@H](C)C2)cc1C#N ZINC000541501345 318100955 /nfs/dbraw/zinc/10/09/55/318100955.db2.gz SPHMIYITWIGRLY-GHMZBOCLSA-N -1 0 335.429 2.316 10 30 EEEERM Cc1ncc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)cc1C#N ZINC000555633543 318598040 /nfs/dbraw/zinc/59/80/40/318598040.db2.gz FERCGRZMKNPBCE-UHFFFAOYSA-N -1 0 346.416 2.159 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2CCOC[C@@H]2CC2CCC2)cc1C#N ZINC000564077557 319065360 /nfs/dbraw/zinc/06/53/60/319065360.db2.gz DAIAFAXPWLDDLJ-ZDUSSCGKSA-N -1 0 347.440 2.412 10 30 EEEERM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccnn2CCC)c1 ZINC000066253289 462867390 /nfs/dbraw/zinc/86/73/90/462867390.db2.gz GBACTWCDQRHMHD-UHFFFAOYSA-N -1 0 348.428 2.010 10 30 EEEERM N#Cc1cccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CC2CCOCC2)c1 ZINC000083148082 463536376 /nfs/dbraw/zinc/53/63/76/463536376.db2.gz UJIZHQLIQCYXKD-HZPDHXFCSA-N -1 0 348.424 2.375 10 30 EEEERM N#C[C@@H]1CSCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000294866337 464632060 /nfs/dbraw/zinc/63/20/60/464632060.db2.gz CSVGPPFOYGVZGW-SSDOTTSWSA-N -1 0 345.193 2.375 10 30 EEEERM C=CC[C@H](CO)NS(=O)(=O)c1sc(C)cc1Br ZINC000273416308 464715609 /nfs/dbraw/zinc/71/56/09/464715609.db2.gz JWURFDGUMXKBAB-MRVPVSSYSA-N -1 0 340.264 2.034 10 30 EEEERM CCCCOc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000252627497 464985680 /nfs/dbraw/zinc/98/56/80/464985680.db2.gz RVOMZLJKDLSPIS-ZDUSSCGKSA-N -1 0 349.412 2.262 10 30 EEEERM N#Cc1c(C#N)c(Sc2n[nH]c(=O)[n-]2)nc2c1CCCCCC2 ZINC000337947452 465702538 /nfs/dbraw/zinc/70/25/38/465702538.db2.gz ZQMLUJNJFUQMRT-UHFFFAOYSA-N -1 0 326.385 2.459 10 30 EEEERM C=CCOc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000581072880 468487628 /nfs/dbraw/zinc/48/76/28/468487628.db2.gz AFTMQSUSRZLZQE-UHFFFAOYSA-N -1 0 342.399 2.024 10 30 EEEERM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc([O-])n(C)c1=O ZINC000434877548 467434075 /nfs/dbraw/zinc/43/40/75/467434075.db2.gz 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CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598413532 468858146 /nfs/dbraw/zinc/85/81/46/468858146.db2.gz STHPQNWQWODNFI-INIZCTEOSA-N -1 0 335.429 2.214 10 30 EEEERM CC(C)n1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593286187 468928063 /nfs/dbraw/zinc/92/80/63/468928063.db2.gz WZCPNIYIFWTDMC-UHFFFAOYSA-N -1 0 333.417 2.461 10 30 EEEERM N#CC1(c2ccc(C(=O)N[C@H](c3nnn[n-]3)c3ccccc3)cc2)CC1 ZINC000611480410 469258569 /nfs/dbraw/zinc/25/85/69/469258569.db2.gz LIVFOEUVUQTLIV-INIZCTEOSA-N -1 0 344.378 2.274 10 30 EEEERM C=C(C)C[C@@H](NC(=O)N[C@@H]1CCOc2c(OC)cccc21)C(=O)[O-] ZINC000630481966 469869839 /nfs/dbraw/zinc/86/98/39/469869839.db2.gz XDCOLQHPKIEGBO-CHWSQXEVSA-N -1 0 334.372 2.237 10 30 EEEERM C=CCCc1ccccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659069927 471492303 /nfs/dbraw/zinc/49/23/03/471492303.db2.gz OGQCHRKUNPZSSY-UHFFFAOYSA-N -1 0 330.384 2.115 10 30 EEEERM C=CCC[C@@H](NC(=O)NCCc1ccnc2ccccc12)C(=O)[O-] ZINC000656589544 471771361 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C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCCOc2c(OC)cccc21 ZINC000905568704 1189780842 /nfs/dbraw/zinc/78/08/42/1189780842.db2.gz XIZIYPLDUZRPDF-ZDUSSCGKSA-N -1 0 334.372 2.191 10 30 EEEERM C=CCCC[C@@H](NC(=O)NC[C@H](n1cccn1)C(F)(F)F)C(=O)[O-] ZINC000905548726 1189785238 /nfs/dbraw/zinc/78/52/38/1189785238.db2.gz LBZILJBPBPLPJL-MNOVXSKESA-N -1 0 348.325 2.095 10 30 EEEERM C=CC(C)(C)CCNS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000871993825 1198010845 /nfs/dbraw/zinc/01/08/45/1198010845.db2.gz RGAGKXIHSXJWPV-UHFFFAOYSA-N -1 0 341.429 2.203 10 30 EEEERM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(OC)cccc1OC(F)(F)F ZINC000873934856 1198743565 /nfs/dbraw/zinc/74/35/65/1198743565.db2.gz VDUINRMEAFCCMU-MRVPVSSYSA-N -1 0 348.277 2.155 10 30 EEEERM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000869796730 1200286232 /nfs/dbraw/zinc/28/62/32/1200286232.db2.gz ROZXBRUVSVGNJG-MJBXVCDLSA-N -1 0 348.424 2.234 10 30 EEEERM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccnc(-n3cccc3)c2)CC1 ZINC000870368357 1200638052 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CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000796626953 1221801188 /nfs/dbraw/zinc/80/11/88/1221801188.db2.gz WTYYCALANZGLHK-UHFFFAOYSA-N -1 0 334.319 2.342 10 30 EEEERM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000114989415 1227337489 /nfs/dbraw/zinc/33/74/89/1227337489.db2.gz LMJHWKZLFUWHCK-UHFFFAOYSA-N -1 0 334.422 2.284 10 30 EEEERM N#CC[C@@H]([N-]S(=O)(=O)CC1Cc2ccccc2C1)C(F)(F)F ZINC000901772172 1236300250 /nfs/dbraw/zinc/30/02/50/1236300250.db2.gz QKSDQSSLPZTWHA-CYBMUJFWSA-N -1 0 332.347 2.165 10 30 EEEERM C=CCC1(S(=O)(=O)[N-]C(=O)C2(OC)CCC(F)(F)CC2)CC1 ZINC000851032508 1277444805 /nfs/dbraw/zinc/44/48/05/1277444805.db2.gz RTFUFPAKMPKCSK-UHFFFAOYSA-N -1 0 337.388 2.136 10 30 EEEERM CC#CCS(=O)(=O)[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853121324 1292290344 /nfs/dbraw/zinc/29/03/44/1292290344.db2.gz AWVUDHSTENYKAL-UHFFFAOYSA-N -1 0 344.436 2.106 10 30 EEEERM Cn1ncc(C2CCC2)c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000853266638 1292342395 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C=CCC[C@@H](NS(=O)(=O)c1cscc1C(F)F)C(=O)[O-] ZINC000926463167 1206222347 /nfs/dbraw/zinc/22/23/47/1206222347.db2.gz ICVXTHBOIWTISU-MRVPVSSYSA-N -1 0 325.358 2.383 10 30 EEEERM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C)c1)C1CCCC1 ZINC000048511447 1208485416 /nfs/dbraw/zinc/48/54/16/1208485416.db2.gz IFNSGZNUYKWABF-HNNXBMFYSA-N -1 0 338.429 2.335 10 30 EEEERM COc1c(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c(C)nn1C ZINC000077879856 1210006904 /nfs/dbraw/zinc/00/69/04/1210006904.db2.gz JRWYKZSCFZKKFY-LLVKDONJSA-N -1 0 337.401 2.133 10 30 EEEERM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001413220109 1234846458 /nfs/dbraw/zinc/84/64/58/1234846458.db2.gz GJQPXVNINFSLEF-LBPRGKRZSA-N -1 0 333.388 2.160 10 30 EEEERM C=CCCC[C@@H](N)C(=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000901030071 1235138726 /nfs/dbraw/zinc/13/87/26/1235138726.db2.gz GMQQIBDNOLYSNK-CVEARBPZSA-N -1 0 336.457 2.194 10 30 EEEERM CCOCCCNC(=O)C(C#N)=C([O-])c1coc(C2CCCC2)n1 ZINC000802038141 1236739210 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C=C(C)CN(CC)S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000355477413 465251919 /nfs/dbraw/zinc/25/19/19/465251919.db2.gz ZBEOVIQXOIHAMR-UHFFFAOYSA-N -1 0 341.429 2.354 10 30 EEEERM Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC1CCCC1)C(=O)[O-] ZINC000578949636 468282483 /nfs/dbraw/zinc/28/24/83/468282483.db2.gz MIEYFNKEBRNTOW-CQSZACIVSA-N -1 0 336.413 2.179 10 30 EEEERM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000579013314 468296454 /nfs/dbraw/zinc/29/64/54/468296454.db2.gz BZICKRWVIJZMPM-GFCCVEGCSA-N -1 0 336.413 2.184 10 30 EEEERM N#Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000105621245 463457541 /nfs/dbraw/zinc/45/75/41/463457541.db2.gz ABMAROJIRHOXNR-UHFFFAOYSA-N -1 0 341.345 2.146 10 30 EEEERM Cc1cccc2c1CCN(S(=O)(=O)CCCCC#N)[C@@H]2C(=O)[O-] ZINC000275155602 464765801 /nfs/dbraw/zinc/76/58/01/464765801.db2.gz SISNGXXTKGKUIN-HNNXBMFYSA-N -1 0 336.413 2.003 10 30 EEEERM C=CCC1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CCOCC1 ZINC000425249807 467090413 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C=CCOC[C@@H](NC(=O)NCc1oc2ccccc2c1C)C(=O)[O-] ZINC000570583536 468661736 /nfs/dbraw/zinc/66/17/36/468661736.db2.gz DKNSUTSIBOVDDX-CYBMUJFWSA-N -1 0 332.356 2.196 10 30 EEEERM CC(C)(CC#N)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000600984424 468706143 /nfs/dbraw/zinc/70/61/43/468706143.db2.gz QSAVHASQCYNPDF-CVEARBPZSA-N -1 0 343.427 2.160 10 30 EEEERM COc1cccc(S([O-])=CC(=O)NCC2(C#N)CCCCC2)c1 ZINC000598316068 468828975 /nfs/dbraw/zinc/82/89/75/468828975.db2.gz IJXLKKKDPCGBDP-QHCPKHFHSA-N -1 0 334.441 2.393 10 30 EEEERM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593278499 468926640 /nfs/dbraw/zinc/92/66/40/468926640.db2.gz PKNBPDDGGQTBQO-UHFFFAOYSA-N -1 0 343.412 2.377 10 30 EEEERM N#CC1(CS(=O)(=O)N[C@@H]2COc3cc(F)ccc3C2)CCCC1 ZINC000572975985 469034240 /nfs/dbraw/zinc/03/42/40/469034240.db2.gz IMBWJQVJYAAUBX-AWEZNQCLSA-N -1 0 338.404 2.133 10 30 EEEERM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1CC1CCC1 ZINC000601970442 469119751 /nfs/dbraw/zinc/11/97/51/469119751.db2.gz 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CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759721019 577648655 /nfs/dbraw/zinc/64/86/55/577648655.db2.gz XQAJEYSJVLMBHS-MFKMUULPSA-N -1 0 333.413 2.150 10 30 EEEERM CCO[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)C(C)C ZINC000760389229 577662062 /nfs/dbraw/zinc/66/20/62/577662062.db2.gz XCIFRGZPPMRBIT-AWEZNQCLSA-N -1 0 344.477 2.358 10 30 EEEERM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3ccccn3)s2)C(=O)O1 ZINC000753135921 577782196 /nfs/dbraw/zinc/78/21/96/577782196.db2.gz UGGGZHNNTZBEJF-NFAHFFEMSA-N -1 0 340.360 2.433 10 30 EEEERM CSCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000737333141 578250904 /nfs/dbraw/zinc/25/09/04/578250904.db2.gz MPEWJLVPVPXUSB-UHFFFAOYSA-N -1 0 332.834 2.160 10 30 EEEERM CCN(CCCCC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000926580306 679531315 /nfs/dbraw/zinc/53/13/15/679531315.db2.gz PUXCVFNUOYUGRV-UHFFFAOYSA-N -1 0 344.820 2.477 10 30 EEEERM C=CCCC[C@H](NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)C(=O)[O-] ZINC000905054753 694512814 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N#Cc1cccc([C@@H]([N-]S(=O)(=O)C[C@@H]2CCOC2)C(F)(F)F)c1 ZINC000867898264 1201702003 /nfs/dbraw/zinc/70/20/03/1201702003.db2.gz DCSDEUAEGPMGBO-DGCLKSJQSA-N -1 0 348.346 2.118 10 30 EEEERM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2C)c1 ZINC000130665107 1201991751 /nfs/dbraw/zinc/99/17/51/1201991751.db2.gz ZVVKOMXRNCLWLT-UHFFFAOYSA-N -1 0 332.356 2.433 10 30 EEEERM C=CCCc1ccc(S(=O)(=O)[N-]c2c(C(=O)OC)cnn2C)cc1 ZINC000886406248 1202503134 /nfs/dbraw/zinc/50/31/34/1202503134.db2.gz RBNVKBGWBUFVEB-UHFFFAOYSA-N -1 0 349.412 2.126 10 30 EEEERM N#Cc1ccc(S(=O)(=O)N2C[C@H](C3CCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000926610235 1206230897 /nfs/dbraw/zinc/23/08/97/1206230897.db2.gz WBCFCZWOHIMHFJ-ZBFHGGJFSA-N -1 0 348.424 2.212 10 30 EEEERM C=CCCC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)OC ZINC000928320960 1206372748 /nfs/dbraw/zinc/37/27/48/1206372748.db2.gz VMCAXLSHLMFGAG-SNVBAGLBSA-N -1 0 331.290 2.437 10 30 EEEERM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000042249218 1208302888 /nfs/dbraw/zinc/30/28/88/1208302888.db2.gz OCGRQBJGVJXVIW-UHFFFAOYSA-N -1 0 346.343 2.100 10 30 EEEERM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc3c2CCC3)cc1 ZINC000193593544 1210904202 /nfs/dbraw/zinc/90/42/02/1210904202.db2.gz JEXZNHRVYVFVIZ-UHFFFAOYSA-N -1 0 340.404 2.307 10 30 EEEERM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000249731056 1215178153 /nfs/dbraw/zinc/17/81/53/1215178153.db2.gz TXBRHVSMJZSRGN-WQVCFCJDSA-N -1 0 339.395 2.226 10 30 EEEERM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114989492 1227338324 /nfs/dbraw/zinc/33/83/24/1227338324.db2.gz ZQIFMIOGVFKZEO-UHFFFAOYSA-N -1 0 328.393 2.223 10 30 EEEERM COC(=O)[C@@H](C)c1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1 ZINC001413089194 1234032888 /nfs/dbraw/zinc/03/28/88/1234032888.db2.gz URFUSNRSCLZWAO-NSHDSACASA-N -1 0 339.351 2.496 10 30 EEEERM C=CCC[C@@H](NC(=O)N[C@H](C)c1cnn(CC2CCC2)c1)C(=O)[O-] ZINC000900308678 1234187224 /nfs/dbraw/zinc/18/72/24/1234187224.db2.gz LOHVKUBJCCWNGP-IUODEOHRSA-N -1 0 334.420 2.463 10 30 EEEERM C=CCCC[C@H](NC(=O)NCc1cccc2c1OCCO2)C(=O)[O-] ZINC000900312762 1234193064 /nfs/dbraw/zinc/19/30/64/1234193064.db2.gz HSRGAVHTQZEBSA-ZDUSSCGKSA-N -1 0 334.372 2.067 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NCCCOc1cccc(F)c1)C(=O)[O-] ZINC000900313571 1234193745 /nfs/dbraw/zinc/19/37/45/1234193745.db2.gz OINMMQFTWACHAX-CYBMUJFWSA-N -1 0 344.770 2.490 10 30 EEEERM N#CCCc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc1 ZINC000901634941 1236083118 /nfs/dbraw/zinc/08/31/18/1236083118.db2.gz HTTLKTAUWPWUJU-UHFFFAOYSA-N -1 0 340.355 2.405 10 30 EEEERM COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)n1 ZINC000901662673 1236124555 /nfs/dbraw/zinc/12/45/55/1236124555.db2.gz PFBGOLRQGJRGJR-CYBMUJFWSA-N -1 0 348.428 2.347 10 30 EEEERM C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000850846187 1277365368 /nfs/dbraw/zinc/36/53/68/1277365368.db2.gz LLLGLTPUUWGUTO-DTWKUNHWSA-N -1 0 342.804 2.018 10 30 EEEERM C=CCOc1cccnc1C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851613706 1277685107 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C=C[C@@H](C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1)c1ccccc1 ZINC001467895711 1110465700 /nfs/dbraw/zinc/46/57/00/1110465700.db2.gz IMGKEHOWNQFKCX-CQSZACIVSA-N -1 0 346.408 2.209 10 30 EEEERM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001509768319 1115899767 /nfs/dbraw/zinc/89/97/67/1115899767.db2.gz QZOZQDDUWPJRFL-STQMWFEESA-N -1 0 348.447 2.183 10 30 EEEERM N#Cc1nc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)[n-]c1C#N ZINC000056291269 214368200 /nfs/dbraw/zinc/36/82/00/214368200.db2.gz XWTCADLNCGVZNI-UHFFFAOYSA-N -1 0 337.730 2.244 10 30 EEEERM CC(C)N1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1=O ZINC000048417991 213938375 /nfs/dbraw/zinc/93/83/75/213938375.db2.gz JIXPEPMLGUGGDB-SNVBAGLBSA-N -1 0 344.820 2.242 10 30 EEEERM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427210712 241393208 /nfs/dbraw/zinc/39/32/08/241393208.db2.gz IRRJUVYSJCFPQD-UHFFFAOYSA-N -1 0 347.396 2.470 10 30 EEEERM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ncccc3C#N)c2)cc1 ZINC000185578665 160042160 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EEEERM CCc1occc1C([O-])=C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000797561519 1304775818 /nfs/dbraw/zinc/77/58/18/1304775818.db2.gz MGNWAKGUFQLJEP-CQSZACIVSA-N -1 0 341.323 2.389 10 30 EEEERM C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC001119062131 1308983008 /nfs/dbraw/zinc/98/30/08/1308983008.db2.gz FHFCMMVWLPLRKK-PSASIEDQSA-N -1 0 331.294 2.490 10 30 EEEERM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCCC(F)(F)CC1 ZINC001121643708 1310084528 /nfs/dbraw/zinc/08/45/28/1310084528.db2.gz GWYDDCUWUOTHGI-UHFFFAOYSA-N -1 0 338.362 2.196 10 30 EEEERM CCOCCCNC(=O)C(C#N)=C([O-])c1coc2ccc(F)cc12 ZINC000842681774 1315753124 /nfs/dbraw/zinc/75/31/24/1315753124.db2.gz QUJQICGCUPUPFM-CYBMUJFWSA-N -1 0 332.331 2.437 10 30 EEEERM C=CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)c1ccccc1 ZINC001331447303 1335015919 /nfs/dbraw/zinc/01/59/19/1335015919.db2.gz QWNYJKOXGBUILJ-CQSZACIVSA-N -1 0 333.413 2.355 10 30 EEEERM C#CC[C@H]1CCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC=C)C1 ZINC001339036233 1336947892 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Cc1sccc1CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000786925247 806953147 /nfs/dbraw/zinc/95/31/47/806953147.db2.gz ICLVWMNOLXUNQZ-UHFFFAOYSA-N -1 0 334.422 2.117 10 30 EEEERM CC[C@@H](NN=Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)C(=O)[O-] ZINC000793073505 810127730 /nfs/dbraw/zinc/12/77/30/810127730.db2.gz WNMZHUHMNLUBAA-QGZVFWFLSA-N -1 0 344.415 2.344 10 30 EEEERM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(Cl)c(C(=O)OCC)[n-]1 ZINC001462920688 1110365998 /nfs/dbraw/zinc/36/59/98/1110365998.db2.gz WAFGPZBXWLMVSY-WPRPVWTQSA-N -1 0 327.768 2.160 10 30 EEEERM N#Cc1ccc([O-])c(NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)c1 ZINC001466537874 1110438098 /nfs/dbraw/zinc/43/80/98/1110438098.db2.gz GQMOUVNUZTUBSE-GFCCVEGCSA-N -1 0 325.299 2.152 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@]1(O)CCCC(C)(C)CC1 ZINC001471099869 1110517550 /nfs/dbraw/zinc/51/75/50/1110517550.db2.gz WOXJHZWIVYFPKO-GOSISDBHSA-N -1 0 331.416 2.419 10 30 EEEERM N#Cc1ccc(C(=O)NCC(=O)Nc2cc(F)c(O)cc2Cl)cc1 ZINC001472193028 1110547644 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CCC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000569104661 319547084 /nfs/dbraw/zinc/54/70/84/319547084.db2.gz PVLMMZAOAGROGQ-LBPRGKRZSA-N -1 0 344.820 2.379 10 30 EEEERM COC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccco1 ZINC000351473143 465169776 /nfs/dbraw/zinc/16/97/76/465169776.db2.gz STFWFWRTHUOKCO-LLVKDONJSA-N -1 0 333.369 2.091 10 30 EEEERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000007708618 462746892 /nfs/dbraw/zinc/74/68/92/462746892.db2.gz ZKPRHGDJLSVPQZ-UHFFFAOYSA-N -1 0 333.325 2.276 10 30 EEEERM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000069282604 463226761 /nfs/dbraw/zinc/22/67/61/463226761.db2.gz BUHVLUMCPVHSOT-ONGXEEELSA-N -1 0 349.355 2.194 10 30 EEEERM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)COc2ccccc2)c1 ZINC000058188496 463549580 /nfs/dbraw/zinc/54/95/80/463549580.db2.gz SOOOMTFNGIAGOU-UHFFFAOYSA-N -1 0 349.364 2.197 10 30 EEEERM CS(=O)(=O)c1nc(NC(=O)Cc2ccccc2C(F)(F)F)n[n-]1 ZINC000083987627 463571306 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C=CCC[C@H](NC(=O)c1nn(C(C)C)c(=O)c2ccccc21)C(=O)[O-] ZINC000448988061 467610597 /nfs/dbraw/zinc/61/05/97/467610597.db2.gz AIZVQCPGWDCADC-AWEZNQCLSA-N -1 0 343.383 2.127 10 30 EEEERM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000576680788 468169897 /nfs/dbraw/zinc/16/98/97/468169897.db2.gz CQNYNYUSUAFXCH-GFCCVEGCSA-N -1 0 327.402 2.010 10 30 EEEERM CCN(C[C@H](C)C#N)S(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000577956138 468194660 /nfs/dbraw/zinc/19/46/60/468194660.db2.gz SJPJRKYBCXMZPU-SNVBAGLBSA-N -1 0 339.417 2.140 10 30 EEEERM Cc1c(C(=O)[O-])cnn1C1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000600677197 468617678 /nfs/dbraw/zinc/61/76/78/468617678.db2.gz APFKZKCIMOUECN-UHFFFAOYSA-N -1 0 325.372 2.306 10 30 EEEERM C=C(C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000600872235 468672072 /nfs/dbraw/zinc/67/20/72/468672072.db2.gz IVUCCZDQVAXXOB-LBPRGKRZSA-N -1 0 326.736 2.326 10 30 EEEERM C=CCOC[C@@H](NC(=O)COc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC000583915162 468773208 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C=C(C)C[C@H](NC(=O)NCCc1ccnc2ccccc12)C(=O)[O-] ZINC000630483533 469871340 /nfs/dbraw/zinc/87/13/40/469871340.db2.gz OPFSRMUJKIMPFM-INIZCTEOSA-N -1 0 327.384 2.496 10 30 EEEERM C=C(C)CS(=O)(=O)N1C[C@@H](CC(=O)[O-])Sc2ccccc21 ZINC000650413902 470874192 /nfs/dbraw/zinc/87/41/92/470874192.db2.gz XVQZDNIUCPWIDY-LLVKDONJSA-N -1 0 327.427 2.348 10 30 EEEERM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000659660099 471711953 /nfs/dbraw/zinc/71/19/53/471711953.db2.gz NERORHQSWXIKRJ-KFWWJZLASA-N -1 0 338.448 2.101 10 30 EEEERM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)[C@H](C)OC)cc2[n-]c1=S ZINC000191441665 527334701 /nfs/dbraw/zinc/33/47/01/527334701.db2.gz CCUQZZCFSGBHOC-QWRGUYRKSA-N -1 0 347.440 2.024 10 30 EEEERM COc1cc(C(C)=NNC(=S)NC(C)(C)C)cc([N+](=O)[O-])c1[O-] ZINC000764668566 577486395 /nfs/dbraw/zinc/48/63/95/577486395.db2.gz UJJONIGWGGTFMK-UHFFFAOYSA-N -1 0 340.405 2.296 10 30 EEEERM C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000768000441 577548871 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C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000909246128 786104749 /nfs/dbraw/zinc/10/47/49/786104749.db2.gz KGZUENYXWWUUOL-HRCADAONSA-N -1 0 332.400 2.319 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)[C@@H](C)OCc1ccc(F)cc1)C(=O)[O-] ZINC000910269346 786596754 /nfs/dbraw/zinc/59/67/54/786596754.db2.gz ATIFATADDGTCDG-MFKMUULPSA-N -1 0 329.755 2.443 10 30 EEEERM C=CCCC[C@@H](NC(=O)C[C@H](NC(C)=O)c1cccs1)C(=O)[O-] ZINC000910916590 787121917 /nfs/dbraw/zinc/12/19/17/787121917.db2.gz ZEISYQPLTNLJCN-OLZOCXBDSA-N -1 0 338.429 2.241 10 30 EEEERM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911045879 787211979 /nfs/dbraw/zinc/21/19/79/787211979.db2.gz MSNATMUQYKPORI-BZNIZROVSA-N -1 0 338.429 2.386 10 30 EEEERM O=C([O-])C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000844821097 789395777 /nfs/dbraw/zinc/39/57/77/789395777.db2.gz KVGQWBMQMOYTCI-UHFFFAOYSA-N -1 0 347.436 2.054 10 30 EEEERM CC(C)c1[nH]ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000845434903 789774792 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C=CCCCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2 ZINC000903554385 795248619 /nfs/dbraw/zinc/24/86/19/795248619.db2.gz MTFPJFKYPMLCMP-HNNXBMFYSA-N -1 0 339.413 2.052 10 30 EEEERM Cc1nnc([S-])n(N=Cc2csc(-c3ccccc3)n2)c1=O ZINC000916303544 797576466 /nfs/dbraw/zinc/57/64/66/797576466.db2.gz GTCFOWQHIYMYBD-UHFFFAOYSA-N -1 0 329.410 2.241 10 30 EEEERM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000787061615 806995552 /nfs/dbraw/zinc/99/55/52/806995552.db2.gz DJJJQLGFFIADGL-CYBMUJFWSA-N -1 0 327.296 2.135 10 30 EEEERM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](O)CC(C)(C)C)n1 ZINC000805726431 811505137 /nfs/dbraw/zinc/50/51/37/811505137.db2.gz HFEHENVWVRFRQS-RYUDHWBXSA-N -1 0 338.429 2.358 10 30 EEEERM C=C(C)C[C@H](C)C(=O)NC1CCC(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001494538007 1104129696 /nfs/dbraw/zinc/12/96/96/1104129696.db2.gz NTJHTQBCZSWAME-XGNXJENSSA-N -1 0 348.447 2.183 10 30 EEEERM C=CCn1c([O-])c(C(=O)c2ccccc2[N+](=O)[O-])c(C)c(C#N)c1=O ZINC000038616889 213217425 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C#CCCCCNS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914245518 683404549 /nfs/dbraw/zinc/40/45/49/683404549.db2.gz HBTQHZOQGMLAHN-UHFFFAOYSA-N -1 0 337.319 2.373 10 30 EEEERM C=CCCC[C@H](NS(=O)(=O)c1cccc2ccncc21)C(=O)[O-] ZINC000899944218 693934913 /nfs/dbraw/zinc/93/49/13/693934913.db2.gz KNKFAEBJFMPIDZ-AWEZNQCLSA-N -1 0 334.397 2.323 10 30 EEEERM CSCCCCC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000125009129 686622880 /nfs/dbraw/zinc/62/28/80/686622880.db2.gz NRPOCAXSCJDYSU-UHFFFAOYSA-N -1 0 326.443 2.205 10 30 EEEERM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N(O)Cc1ccc(F)cc1 ZINC000904178699 694312586 /nfs/dbraw/zinc/31/25/86/694312586.db2.gz RPCBBWRMNAJOJY-GJZGRUSLSA-N -1 0 339.363 2.244 10 30 EEEERM C=CCCC[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1)C(=O)[O-] ZINC000905600776 1189788535 /nfs/dbraw/zinc/78/85/35/1189788535.db2.gz AEBOVIUALMKLFY-DCAQKATOSA-N -1 0 338.326 2.205 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000864581040 1197817249 /nfs/dbraw/zinc/81/72/49/1197817249.db2.gz 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CC1(C)[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000870282139 1200590259 /nfs/dbraw/zinc/59/02/59/1200590259.db2.gz YYTRBRVYNDHAKO-KGLIPLIRSA-N -1 0 332.425 2.176 10 30 EEEERM CC[C@@H](NC(C)=O)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000870454847 1200685152 /nfs/dbraw/zinc/68/51/52/1200685152.db2.gz QZUXDFDMRPEPAR-QWHCGFSZSA-N -1 0 332.425 2.433 10 30 EEEERM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@]23C[C@H]2CCCC3)c(F)c1 ZINC000870485469 1200701846 /nfs/dbraw/zinc/70/18/46/1200701846.db2.gz QSZTWMRAYGJSIP-CZUORRHYSA-N -1 0 336.388 2.224 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 ZINC000870833244 1200898491 /nfs/dbraw/zinc/89/84/91/1200898491.db2.gz ONFOVZVSSMWAFH-NSHDSACASA-N -1 0 341.454 2.340 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)c2ncoc2-c2ccc(C)cc2)CC1 ZINC000870834672 1200899853 /nfs/dbraw/zinc/89/98/53/1200899853.db2.gz MEFJVXGPOUAFPN-UHFFFAOYSA-N -1 0 332.381 2.428 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)CCc2cncc3ccccc32)CC1 ZINC000870835598 1200900527 /nfs/dbraw/zinc/90/05/27/1200900527.db2.gz GGGCJYQZJWHYKQ-UHFFFAOYSA-N -1 0 330.409 2.332 10 30 EEEERM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)OCC ZINC000867591866 1201639743 /nfs/dbraw/zinc/63/97/43/1201639743.db2.gz HSCPDWGEXPJQQF-GFCCVEGCSA-N -1 0 348.852 2.064 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cccnc1OC(C)C ZINC001412416505 1205719161 /nfs/dbraw/zinc/71/91/61/1205719161.db2.gz HWHSYSHSAVETGW-UHFFFAOYSA-N -1 0 326.356 2.080 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CN(C)Cc2ccccc21)C(=O)[O-] ZINC000929047098 1206442493 /nfs/dbraw/zinc/44/24/93/1206442493.db2.gz ZQWMFJYXXBFTFB-ZIAGYGMSSA-N -1 0 337.807 2.068 10 30 EEEERM C=CCOc1ccccc1CN(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000901626831 1236068218 /nfs/dbraw/zinc/06/82/18/1236068218.db2.gz OQSONELSAJSPDT-INIZCTEOSA-N -1 0 346.427 2.006 10 30 EEEERM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCOCC2)c1C ZINC000850760552 1277332047 /nfs/dbraw/zinc/33/20/47/1277332047.db2.gz UUEARLGDDQTHPW-INIZCTEOSA-N -1 0 329.400 2.081 10 30 EEEERM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N ZINC000850898864 1277386532 /nfs/dbraw/zinc/38/65/32/1277386532.db2.gz MPDKCUZDTHOPQZ-QMMMGPOBSA-N -1 0 334.319 2.369 10 30 EEEERM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cc1Cl ZINC000851001116 1277426156 /nfs/dbraw/zinc/42/61/56/1277426156.db2.gz FWCYNTKUICGNQW-QMMMGPOBSA-N -1 0 330.793 2.012 10 30 EEEERM CCO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000860532489 1294999495 /nfs/dbraw/zinc/99/94/95/1294999495.db2.gz LMEORNDHNMCFMT-ZDUSSCGKSA-N -1 0 344.820 2.078 10 30 EEEERM N#CC1(CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCCC1 ZINC000862122009 1295708348 /nfs/dbraw/zinc/70/83/48/1295708348.db2.gz SMXFICZZMZMLNN-UHFFFAOYSA-N -1 0 343.305 2.272 10 30 EEEERM COCC(COC)NN=C(C)c1cc(Br)cc(F)c1[O-] ZINC000863195210 1296145797 /nfs/dbraw/zinc/14/57/97/1296145797.db2.gz RUXCFGXREBSMFQ-UHFFFAOYSA-N -1 0 349.200 2.269 10 30 EEEERM C=C(Cl)C[C@H](NS(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000863419421 1296272279 /nfs/dbraw/zinc/27/22/79/1296272279.db2.gz BLHAXVXUEFBYMJ-ZDUSSCGKSA-N -1 0 331.821 2.319 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000864182640 1296444813 /nfs/dbraw/zinc/44/48/13/1296444813.db2.gz BZTLGNVKHZJUFS-MWLCHTKSSA-N -1 0 348.827 2.201 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)CSCC(=O)c1ccccc1)C(=O)[O-] ZINC000864185450 1296446381 /nfs/dbraw/zinc/44/63/81/1296446381.db2.gz YVHZOFLXWGIHKP-LBPRGKRZSA-N -1 0 341.816 2.315 10 30 EEEERM Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c2cc(F)ccc21 ZINC000796849866 1304588429 /nfs/dbraw/zinc/58/84/29/1304588429.db2.gz IOPDQYWHNLVZGO-UHFFFAOYSA-N -1 0 349.387 2.071 10 30 EEEERM C=CC[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)[O-] ZINC001116906451 1305928656 /nfs/dbraw/zinc/92/86/56/1305928656.db2.gz JWCLDQLHEPMKIB-GDBMZVCRSA-N -1 0 344.411 2.192 10 30 EEEERM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC000842871110 1315788499 /nfs/dbraw/zinc/78/84/99/1315788499.db2.gz LXVSDUXZNZRLMV-OAHLLOKOSA-N -1 0 347.383 2.140 10 30 EEEERM Cc1ccc(C(=O)C=CC(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)cc1 ZINC001142969862 1315815739 /nfs/dbraw/zinc/81/57/39/1315815739.db2.gz CIJJITCFYNKBNL-FJVVXJACSA-N -1 0 343.383 2.314 10 30 EEEERM Cc1ccc(C(=O)C=CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cc1 ZINC001149501172 1315978451 /nfs/dbraw/zinc/97/84/51/1315978451.db2.gz SCVGFHXZYZZERF-IENJSVCTSA-N -1 0 347.378 2.153 10 30 EEEERM N#Cc1cccc(O[N-]C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001151426236 1316531703 /nfs/dbraw/zinc/53/17/03/1316531703.db2.gz WRZMLNNMAODKIY-MRXNPFEDSA-N -1 0 335.363 2.017 10 30 EEEERM C=CC[C@@H](NC(=O)NCC[C@@H]1CSc2ccccc2O1)C(=O)[O-] ZINC001262176697 1322252397 /nfs/dbraw/zinc/25/23/97/1322252397.db2.gz VWBKRUKWDXJOGB-VXGBXAGGSA-N -1 0 336.413 2.258 10 30 EEEERM C[C@H](CCCCNC(=O)c1ncccc1O)NC(=O)C#CC(C)(C)C ZINC001281563717 1325285806 /nfs/dbraw/zinc/28/58/06/1325285806.db2.gz SZSSGLXORDUYAB-CQSZACIVSA-N -1 0 345.443 2.242 10 30 EEEERM C=CCCC[C@@H](NC(=O)[C@@H]1CCCCN1Cc1cccnc1)C(=O)[O-] ZINC001332166705 1335750026 /nfs/dbraw/zinc/75/00/26/1335750026.db2.gz WFNQJIWRPKFKLI-SJORKVTESA-N -1 0 345.443 2.362 10 30 EEEERM C=CCCC[C@H](C(=O)[N-]S(=O)(=O)CCOC)c1ccccc1 ZINC001334228369 1336225009 /nfs/dbraw/zinc/22/50/09/1336225009.db2.gz LMHNYOJMHSTUER-HNNXBMFYSA-N -1 0 325.430 2.219 10 30 EEEERM C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1n[nH]c(C)c1[O-])CC2 ZINC001338201978 1336815976 /nfs/dbraw/zinc/81/59/76/1336815976.db2.gz UWRQBBRHSOVWKF-UGSOOPFHSA-N -1 0 346.431 2.033 10 30 EEEERM C=CC(C)(C)CCCNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001353223130 1338215026 /nfs/dbraw/zinc/21/50/26/1338215026.db2.gz FSPCHGAQKAREMW-CQSZACIVSA-N -1 0 338.448 2.198 10 30 EEEERM C#CCOc1cccc(NC(=O)c2nc[n-]c(=O)c2Br)c1 ZINC001565728288 1342560966 /nfs/dbraw/zinc/56/09/66/1342560966.db2.gz KDEWFJWWQSADTA-UHFFFAOYSA-N -1 0 348.156 2.209 10 30 EEEERM C=C[C@](C)(CC)C(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@H](C)CC)n1 ZINC001573247459 1343623897 /nfs/dbraw/zinc/62/38/97/1343623897.db2.gz CZOJTEXQYBTMIF-KZULUSFZSA-N -1 0 348.447 2.063 10 30 EEEERM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001625444189 1352449278 /nfs/dbraw/zinc/44/92/78/1352449278.db2.gz LOMAEVXSXPTPIP-ZIAGYGMSSA-N -1 0 342.436 2.320 10 30 EEEERM C=CCCOCCCCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001630791951 1352572269 /nfs/dbraw/zinc/57/22/69/1352572269.db2.gz DJIBPMPBNAREBQ-CYBMUJFWSA-N -1 0 325.409 2.329 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)NCc1c(F)cccc1OC)C(=O)[O-] ZINC001646292677 1352826162 /nfs/dbraw/zinc/82/61/62/1352826162.db2.gz YAKCPOJHXFNCHR-NSHDSACASA-N -1 0 330.743 2.229 10 30 EEEERM COC1(OC)CCCC[C@H]1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000918056426 768869005 /nfs/dbraw/zinc/86/90/05/768869005.db2.gz RIUZPBNQALLKMQ-CQSZACIVSA-N -1 0 344.477 2.312 10 30 EEEERM N#CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2CCC(=O)[O-])cc1 ZINC000905998076 783630411 /nfs/dbraw/zinc/63/04/11/783630411.db2.gz SIUUSSWDYVMRMZ-CQSZACIVSA-N -1 0 336.413 2.161 10 30 EEEERM N#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CC1 ZINC000906626357 784055643 /nfs/dbraw/zinc/05/56/43/784055643.db2.gz WETOIMHGKIEMLS-VIFPVBQESA-N -1 0 330.132 2.354 10 30 EEEERM C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1OC ZINC000907931526 784950193 /nfs/dbraw/zinc/95/01/93/784950193.db2.gz ILKQUPLTDFMAMG-ZQDZILKHSA-N -1 0 345.395 2.489 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)NCc1cn2c(cccc2C)n1)C(=O)[O-] ZINC000908956982 785901718 /nfs/dbraw/zinc/90/17/18/785901718.db2.gz IEUCDHJOFOIJRE-LBPRGKRZSA-N -1 0 336.779 2.038 10 30 EEEERM C=C[C@](C)(CCOC)C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000909818409 786274229 /nfs/dbraw/zinc/27/42/29/786274229.db2.gz KIPOBUHNSFGXRS-GOSISDBHSA-N -1 0 349.431 2.282 10 30 EEEERM C=CCCC[C@@H](NC(=O)c1ccccc1N1CCOCC1)C(=O)[O-] ZINC000910911170 787116179 /nfs/dbraw/zinc/11/61/79/787116179.db2.gz BUEOINSHCGYVEE-OAHLLOKOSA-N -1 0 332.400 2.063 10 30 EEEERM C=CCCC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000910913872 787118096 /nfs/dbraw/zinc/11/80/96/787118096.db2.gz FFAZISMITLOQCO-CQSZACIVSA-N 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/nfs/dbraw/zinc/92/44/46/789924446.db2.gz ZOTDQVYMONFZOY-UHFFFAOYSA-N -1 0 330.409 2.374 10 30 EEEERM C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000789561987 808081094 /nfs/dbraw/zinc/08/10/94/808081094.db2.gz FDHJNFDDWRLRFF-GFCCVEGCSA-N -1 0 341.429 2.419 10 30 EEEERM N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc(O)c(Cl)c3)n2)cn1 ZINC001457774439 1109760510 /nfs/dbraw/zinc/76/05/10/1109760510.db2.gz LQLIQCPWGWLCOQ-UHFFFAOYSA-N -1 0 340.730 2.350 10 30 EEEERM COCCOCc1cccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c1 ZINC001464284437 1110391082 /nfs/dbraw/zinc/39/10/82/1110391082.db2.gz XBZZZDWTWQXDEI-UHFFFAOYSA-N -1 0 341.367 2.383 10 30 EEEERM C#CCSCCNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001465291594 1110414869 /nfs/dbraw/zinc/41/48/69/1110414869.db2.gz BNHQNKSVQXQJSQ-UHFFFAOYSA-N -1 0 335.816 2.328 10 30 EEEERM Cc1coc(C([O-])=C(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1C ZINC001525379307 1120310479 /nfs/dbraw/zinc/31/04/79/1120310479.db2.gz AFMPGJSUDDWGGQ-CQSZACIVSA-N -1 0 341.323 2.444 10 30 EEEERM Cc1ccccc1-c1nc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)no1 ZINC001545567407 1124196619 /nfs/dbraw/zinc/19/66/19/1124196619.db2.gz BXWYAWUTILNMFU-UHFFFAOYSA-N -1 0 349.350 2.256 10 30 EEEERM Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(C(=O)[O-])cc2)c1 ZINC000002631754 209879048 /nfs/dbraw/zinc/87/90/48/209879048.db2.gz DGJGSFJJQVPPMO-LICLKQGHSA-N -1 0 332.381 2.314 10 30 EEEERM Cc1ncc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1C#N ZINC000427214086 241393647 /nfs/dbraw/zinc/39/36/47/241393647.db2.gz VOZLDWGYGMQVGZ-UHFFFAOYSA-N -1 0 331.401 2.150 10 30 EEEERM Cc1ncc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)cc1C#N ZINC000427802928 241479489 /nfs/dbraw/zinc/47/94/89/241479489.db2.gz XLCCSUBQFDGVBU-UHFFFAOYSA-N -1 0 341.352 2.113 10 30 EEEERM C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000275117626 269096198 /nfs/dbraw/zinc/09/61/98/269096198.db2.gz NRAFVXRZUPPSEP-ZANVPECISA-N -1 0 342.804 2.085 10 30 EEEERM N#Cc1ccc(CS(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(F)c1 ZINC000341898636 303191432 /nfs/dbraw/zinc/19/14/32/303191432.db2.gz MZEQPXPBRMCUIP-GFCCVEGCSA-N -1 0 336.310 2.458 10 30 EEEERM CCc1nocc1CN(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000358384722 465092975 /nfs/dbraw/zinc/09/29/75/465092975.db2.gz NGZMNNDXEXKJBF-UHFFFAOYSA-N -1 0 332.385 2.203 10 30 EEEERM Cc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c[nH]2)o1 ZINC000075427925 462717100 /nfs/dbraw/zinc/71/71/00/462717100.db2.gz GIALBKSNGORSGS-UHFFFAOYSA-N -1 0 329.341 2.046 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC[C@H](SC)C2)cc1C#N ZINC000117427865 462803575 /nfs/dbraw/zinc/80/35/75/462803575.db2.gz VUHPAAPSWHTYAY-MNOVXSKESA-N -1 0 337.470 2.372 10 30 EEEERM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000048676615 462929432 /nfs/dbraw/zinc/92/94/32/462929432.db2.gz AXUXMRJRHJULHU-VHSXEESVSA-N -1 0 339.339 2.434 10 30 EEEERM N#Cc1cccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2CC[C@@H]2CCCO2)c1 ZINC000069511008 463264094 /nfs/dbraw/zinc/26/40/94/463264094.db2.gz OCMNEWNJYQUFDU-XYJFISCASA-N -1 0 342.395 2.492 10 30 EEEERM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000170645796 463688363 /nfs/dbraw/zinc/68/83/63/463688363.db2.gz DOAYDCQSSYNBMT-GXTWGEPZSA-N -1 0 336.413 2.019 10 30 EEEERM C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263328560 464085942 /nfs/dbraw/zinc/08/59/42/464085942.db2.gz LIFWOMYVODYFDC-CFVMTHIKSA-N -1 0 330.384 2.475 10 30 EEEERM N#CC1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000282186120 464727076 /nfs/dbraw/zinc/72/70/76/464727076.db2.gz NMMNJJMBIZTSLD-UHFFFAOYSA-N -1 0 328.415 2.055 10 30 EEEERM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)CC1(C#N)CCCC1 ZINC000548593298 468439646 /nfs/dbraw/zinc/43/96/46/468439646.db2.gz SZNGXUKUCGDEQK-QWHCGFSZSA-N -1 0 330.450 2.269 10 30 EEEERM CS(=O)(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000348845042 465834594 /nfs/dbraw/zinc/83/45/94/465834594.db2.gz WRPOGTTWYPYJLO-OAHLLOKOSA-N -1 0 347.371 2.192 10 30 EEEERM COCCOc1ncccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000353943429 466270755 /nfs/dbraw/zinc/27/07/55/466270755.db2.gz VQXILYYRMBSHSY-UHFFFAOYSA-N -1 0 347.396 2.088 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2nnc(C)s2)cc1C#N ZINC000354302703 466456947 /nfs/dbraw/zinc/45/69/47/466456947.db2.gz LNMDQRKSKGZKJJ-LURJTMIESA-N -1 0 335.414 2.032 10 30 EEEERM C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000422657564 466679844 /nfs/dbraw/zinc/67/98/44/466679844.db2.gz LUEOWYOIABTKLF-HNNXBMFYSA-N -1 0 332.400 2.359 10 30 EEEERM C=CC(C)(C)CNS(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000414341212 467404705 /nfs/dbraw/zinc/40/47/05/467404705.db2.gz VLPONDOBPLDVMX-UHFFFAOYSA-N -1 0 341.429 2.257 10 30 EEEERM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000420716704 467461143 /nfs/dbraw/zinc/46/11/43/467461143.db2.gz CGYNNTMWNZQMGV-GHMZBOCLSA-N -1 0 330.356 2.072 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)Nc2cccnc2N(C)C)cc1C#N ZINC000442662912 467576701 /nfs/dbraw/zinc/57/67/01/467576701.db2.gz XAQNOZBMTORLKN-UHFFFAOYSA-N -1 0 329.385 2.094 10 30 EEEERM CCC(C)(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-] ZINC000519605644 468181468 /nfs/dbraw/zinc/18/14/68/468181468.db2.gz JFIPDIFYPNBXKD-GFCCVEGCSA-N -1 0 344.820 2.379 10 30 EEEERM Cc1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCO3)[nH]n2)ccc1C#N ZINC000558788525 468715348 /nfs/dbraw/zinc/71/53/48/468715348.db2.gz FPDGXNIFUDSCLM-CQSZACIVSA-N -1 0 332.385 2.242 10 30 EEEERM COC(C)(C)c1nc(=NC(=O)c2cc(F)c(C#N)c(F)c2)s[n-]1 ZINC000601795311 469029343 /nfs/dbraw/zinc/02/93/43/469029343.db2.gz JGBPLXLUAHPUFS-UHFFFAOYSA-N -1 0 338.339 2.244 10 30 EEEERM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC1(C#N)CCCC1 ZINC000593782862 469135110 /nfs/dbraw/zinc/13/51/10/469135110.db2.gz UKOPLAMKPJAZAK-UHFFFAOYSA-N -1 0 335.429 2.262 10 30 EEEERM C=C(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000630320378 469808891 /nfs/dbraw/zinc/80/88/91/469808891.db2.gz UXUBDJFTTVJGKK-SNPRPXQTSA-N -1 0 333.384 2.343 10 30 EEEERM C=C(C)C[C@H](NC(=O)NCCCn1cnc2ccccc21)C(=O)[O-] ZINC000630469057 469864034 /nfs/dbraw/zinc/86/40/34/469864034.db2.gz TXXMCSKLGHGCTL-AWEZNQCLSA-N -1 0 330.388 2.145 10 30 EEEERM C=CCOc1ccccc1CNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000630475761 469866537 /nfs/dbraw/zinc/86/65/37/469866537.db2.gz JNJTZJFWXXJTCW-RDTXWAMCSA-N -1 0 348.399 2.025 10 30 EEEERM C=C(C)C[C@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)[O-] ZINC000630547940 469895090 /nfs/dbraw/zinc/89/50/90/469895090.db2.gz OOOFNKGVEQKKAW-CABCVRRESA-N -1 0 334.372 2.395 10 30 EEEERM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000659660962 471711928 /nfs/dbraw/zinc/71/19/28/471711928.db2.gz WAHYEBVGTHNPMS-ZBFHGGJFSA-N -1 0 344.411 2.252 10 30 EEEERM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000656585615 471769397 /nfs/dbraw/zinc/76/93/97/471769397.db2.gz XUGBJTRGJKRVEM-KBMXLJTQSA-N -1 0 348.399 2.101 10 30 EEEERM C=CCOCCCNC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000656595147 471774653 /nfs/dbraw/zinc/77/46/53/471774653.db2.gz CSEFBJJPCDPFFJ-UHFFFAOYSA-N -1 0 342.342 2.154 10 30 EEEERM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000628037872 485706206 /nfs/dbraw/zinc/70/62/06/485706206.db2.gz NMRTYITXEPDHAD-JSGCOSHPSA-N -1 0 337.445 2.318 10 30 EEEERM O=C([O-])C1CC(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000682698250 486538160 /nfs/dbraw/zinc/53/81/60/486538160.db2.gz LQDRXSATEBCKKX-UHFFFAOYSA-N -1 0 325.286 2.284 10 30 EEEERM CC(=O)Nc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)ccc1C ZINC000427123796 534719154 /nfs/dbraw/zinc/71/91/54/534719154.db2.gz LCQNUFRWQXVWDT-UHFFFAOYSA-N -1 0 344.396 2.329 10 30 EEEERM C=CCCO[C@H](C)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000455925897 534783720 /nfs/dbraw/zinc/78/37/20/534783720.db2.gz NFQNYLOKCFRBQY-BXUZGUMPSA-N -1 0 325.792 2.433 10 30 EEEERM Cc1scc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c1C ZINC000773758429 577363178 /nfs/dbraw/zinc/36/31/78/577363178.db2.gz VRQWRYONKXONCQ-UHFFFAOYSA-N -1 0 334.422 2.496 10 30 EEEERM COc1cc(C)nc(N=NC(C)c2cc(OC)c([O-])c([N+](=O)[O-])c2)n1 ZINC000764698115 577486821 /nfs/dbraw/zinc/48/68/21/577486821.db2.gz HLFWHDAPXUZIPR-UHFFFAOYSA-N -1 0 347.331 2.252 10 30 EEEERM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)OCC ZINC000760401018 577662245 /nfs/dbraw/zinc/66/22/45/577662245.db2.gz HVMCFPIDWMKFHC-CQSZACIVSA-N -1 0 342.461 2.278 10 30 EEEERM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc32)CCCCC1 ZINC000760405136 577662348 /nfs/dbraw/zinc/66/23/48/577662348.db2.gz KPKZNRIAVFFHKV-HNNXBMFYSA-N -1 0 332.425 2.246 10 30 EEEERM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCC2=O)c1 ZINC000073087061 1193345937 /nfs/dbraw/zinc/34/59/37/1193345937.db2.gz CPOYPKOKCXEGKZ-OAHLLOKOSA-N -1 0 338.429 2.287 10 30 EEEERM C=CCCC[C@H](NC(=O)NCCn1c(C)nc2ccccc21)C(=O)[O-] ZINC000905514384 1189751195 /nfs/dbraw/zinc/75/11/95/1189751195.db2.gz WVLRMYFXKQLUJR-HNNXBMFYSA-N -1 0 344.415 2.453 10 30 EEEERM CCC[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2C#N)[C@H]1C(=O)[O-] ZINC000871769061 1197886933 /nfs/dbraw/zinc/88/69/33/1197886933.db2.gz FCVWTQXRMCLYGF-SWLSCSKDSA-N -1 0 336.413 2.131 10 30 EEEERM CCCCC[C@@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(C)C ZINC000863934214 1197928489 /nfs/dbraw/zinc/92/84/89/1197928489.db2.gz HCOZDLLLBRWQDA-OAHLLOKOSA-N -1 0 346.431 2.056 10 30 EEEERM C#C[C@H]1CC[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)CC)CC1 ZINC000874864696 1199045471 /nfs/dbraw/zinc/04/54/71/1199045471.db2.gz PLQJRQGLQGQGJR-HDJSIYSDSA-N -1 0 334.441 2.370 10 30 EEEERM C#CCCS(=O)(=O)[N-]C(=O)c1sccc1SC(F)F ZINC000810780974 1199716170 /nfs/dbraw/zinc/71/61/70/1199716170.db2.gz YPVQZKAICKVMML-UHFFFAOYSA-N -1 0 325.383 2.146 10 30 EEEERM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000869796729 1200286502 /nfs/dbraw/zinc/28/65/02/1200286502.db2.gz ROZXBRUVSVGNJG-BFHYXJOUSA-N -1 0 348.424 2.234 10 30 EEEERM C#CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000870330708 1200619408 /nfs/dbraw/zinc/61/94/08/1200619408.db2.gz HKKBKCXKXMUODX-UHFFFAOYSA-N -1 0 328.821 2.115 10 30 EEEERM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC000870369165 1200638603 /nfs/dbraw/zinc/63/86/03/1200638603.db2.gz KPDOTNPXDHTDPY-UHFFFAOYSA-N -1 0 345.424 2.255 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)C2=Cc3cccc(OCC)c3OC2)CC1 ZINC000870833789 1200898938 /nfs/dbraw/zinc/89/89/38/1200898938.db2.gz XRXHZCXOZWCVGZ-UHFFFAOYSA-N -1 0 349.408 2.026 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)c2cc(C)nc3c2cnn3C(C)C)CC1 ZINC000870835468 1200899511 /nfs/dbraw/zinc/89/95/11/1200899511.db2.gz MXYOTMXFOROCMC-UHFFFAOYSA-N -1 0 348.428 2.099 10 30 EEEERM CC#CCN(C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000880440793 1201489756 /nfs/dbraw/zinc/48/97/56/1201489756.db2.gz JOFAXWBTIJEBMK-UHFFFAOYSA-N -1 0 345.296 2.491 10 30 EEEERM COc1ccccc1C[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001412093001 1205647015 /nfs/dbraw/zinc/64/70/15/1205647015.db2.gz WDLDKBZGKJMBDR-LBPRGKRZSA-N -1 0 325.368 2.337 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001412350862 1205701489 /nfs/dbraw/zinc/70/14/89/1205701489.db2.gz WGFTVPSDDABOPM-HOTGVXAUSA-N -1 0 337.379 2.270 10 30 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786104118 /nfs/dbraw/zinc/10/41/18/786104118.db2.gz BKFKLJXJQOXFGT-QCPWZWHMSA-N -1 0 344.411 2.439 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)c1nnn(CC2CCCC2)c1C)C(=O)[O-] ZINC000910270583 786598048 /nfs/dbraw/zinc/59/80/48/786598048.db2.gz IUMAAEJJQOIJEH-LBPRGKRZSA-N -1 0 340.811 2.102 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)CCc1cccc2c1OCO2)C(=O)[O-] ZINC000910272772 786600745 /nfs/dbraw/zinc/60/07/45/786600745.db2.gz VTACACQENAOENM-NSHDSACASA-N -1 0 325.748 2.060 10 30 EEEERM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912863824 788444417 /nfs/dbraw/zinc/44/44/17/788444417.db2.gz DSZKJRZEJCHBDZ-HIFRSBDPSA-N -1 0 340.383 2.114 10 30 EEEERM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000845492927 789814155 /nfs/dbraw/zinc/81/41/55/789814155.db2.gz XNASMPUTAZUPBG-LLVKDONJSA-N -1 0 344.371 2.237 10 30 EEEERM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000073837890 802640570 /nfs/dbraw/zinc/64/05/70/802640570.db2.gz OLSDDFUPJWUMIQ-LLVKDONJSA-N -1 0 326.418 2.280 10 30 EEEERM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)c(C)c1 ZINC000793344868 810257636 /nfs/dbraw/zinc/25/76/36/810257636.db2.gz YQCIKWBSEGOCGY-UHFFFAOYSA-N -1 0 336.394 2.056 10 30 EEEERM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1C)OCC ZINC000793337930 810276566 /nfs/dbraw/zinc/27/65/66/810276566.db2.gz CCDOSEFRMDEPCM-AWEZNQCLSA-N -1 0 341.429 2.180 10 30 EEEERM COC[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001566306366 1125594566 /nfs/dbraw/zinc/59/45/66/1125594566.db2.gz JBDTUVFFROBHQQ-KRWDZBQOSA-N -1 0 328.324 2.123 10 30 EEEERM CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[C@H]2CC)n1 ZINC001479608973 1098630671 /nfs/dbraw/zinc/63/06/71/1098630671.db2.gz RAACLPTVEAZAMW-GDBMZVCRSA-N -1 0 344.459 2.128 10 30 EEEERM C=CCCC[C@@H](C)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001466391447 1110434840 /nfs/dbraw/zinc/43/48/40/1110434840.db2.gz QEBCJLSJVSDLLZ-GFCCVEGCSA-N -1 0 345.374 2.349 10 30 EEEERM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc(C#N)c2)C1=O ZINC001467660951 1110461414 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C=CCOC[C@H](NC(=O)C[C@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000455878027 244099438 /nfs/dbraw/zinc/09/94/38/244099438.db2.gz NFBPILBSQIDFMH-PBHICJAKSA-N -1 0 347.411 2.277 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2nc(C)no2)cc1C#N ZINC000344058975 161194421 /nfs/dbraw/zinc/19/44/21/161194421.db2.gz HYSVJOKGQOOENL-LLVKDONJSA-N -1 0 345.384 2.050 10 30 EEEERM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1 ZINC000352856251 162314362 /nfs/dbraw/zinc/31/43/62/162314362.db2.gz CSZSCJNNGLCBGI-UHFFFAOYSA-N -1 0 345.380 2.239 10 30 EEEERM CCC[C@@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCOC1 ZINC000285295005 266073294 /nfs/dbraw/zinc/07/32/94/266073294.db2.gz KQXBDAIZYDYDKY-CQSZACIVSA-N -1 0 330.356 2.074 10 30 EEEERM N#Cc1ccc(OCCCC(=O)[O-])c(I)c1 ZINC000564452107 319086243 /nfs/dbraw/zinc/08/62/43/319086243.db2.gz BCTPOBMMPITUTB-UHFFFAOYSA-N -1 0 331.109 2.406 10 30 EEEERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCO1 ZINC000048451244 462911651 /nfs/dbraw/zinc/91/16/51/462911651.db2.gz OZCNBQVTNQGAHA-LLVKDONJSA-N -1 0 328.346 2.118 10 30 EEEERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000029967225 463283074 /nfs/dbraw/zinc/28/30/74/463283074.db2.gz UNMHPROZCHKWSZ-UHFFFAOYSA-N -1 0 347.352 2.470 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1C#N ZINC000080102552 463283127 /nfs/dbraw/zinc/28/31/27/463283127.db2.gz POPAYVKORBZVCB-QGZVFWFLSA-N -1 0 347.440 2.414 10 30 EEEERM C=CCCS(=O)(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000547869589 468423610 /nfs/dbraw/zinc/42/36/10/468423610.db2.gz NGJSJXOPMNIWSW-UHFFFAOYSA-N -1 0 334.191 2.465 10 30 EEEERM N#CC1(CS(=O)(=O)N[C@H](CC2CCCC2)C(=O)[O-])CCCCC1 ZINC000547888341 468423636 /nfs/dbraw/zinc/42/36/36/468423636.db2.gz HSPKRRBSAJKMSB-CQSZACIVSA-N -1 0 342.461 2.413 10 30 EEEERM Cn1nccc1[C@@H]1OCC[C@H]1/C([O-])=N/Cc1cn2ccsc2n1 ZINC000330362698 465630470 /nfs/dbraw/zinc/63/04/70/465630470.db2.gz ZVXYUWSNUVWFHX-DGCLKSJQSA-N -1 0 331.401 2.364 10 30 EEEERM CCOC(=O)c1cnc(/C=C\c2nc(C#N)cs2)c(C(=O)[O-])c1 ZINC000357089419 465763646 /nfs/dbraw/zinc/76/36/46/465763646.db2.gz UEIGUHRQZKTVEI-ARJAWSKDSA-N -1 0 329.337 2.455 10 30 EEEERM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)s1 ZINC000435494956 467473793 /nfs/dbraw/zinc/47/37/93/467473793.db2.gz YTTPRVGZBXUBBX-UHFFFAOYSA-N -1 0 347.421 2.313 10 30 EEEERM CCn1nccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000471903549 467980738 /nfs/dbraw/zinc/98/07/38/467980738.db2.gz UEKLWKTZBNTTPH-UHFFFAOYSA-N -1 0 342.327 2.177 10 30 EEEERM N#Cc1ccc(OCC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000600876677 468673667 /nfs/dbraw/zinc/67/36/67/468673667.db2.gz NVWYMIRHXPYOBQ-MRXNPFEDSA-N -1 0 330.384 2.334 10 30 EEEERM N#Cc1sccc1S(=O)(=O)N(CCC(=O)[O-])C1CCCC1 ZINC000593269749 468923168 /nfs/dbraw/zinc/92/31/68/468923168.db2.gz PDYYNCLJDHHGFL-UHFFFAOYSA-N -1 0 328.415 2.028 10 30 EEEERM C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[C@H]1CCC(=O)[O-] ZINC000593271824 468924736 /nfs/dbraw/zinc/92/47/36/468924736.db2.gz UZKKHNNYZGMHNP-WDEREUQCSA-N -1 0 342.442 2.131 10 30 EEEERM COC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(C)o1 ZINC000593555412 469032937 /nfs/dbraw/zinc/03/29/37/469032937.db2.gz GOLYWJGEHPLJRB-JTQLQIEISA-N -1 0 326.399 2.187 10 30 EEEERM N#Cc1cc(F)c(S(=O)(=O)[N-]c2c(O)cccc2F)c(F)c1 ZINC000610706767 469045350 /nfs/dbraw/zinc/04/53/50/469045350.db2.gz MWDGEZFRIQQCTB-UHFFFAOYSA-N -1 0 328.271 2.482 10 30 EEEERM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)N(CCC)CCC ZINC000608007250 469755123 /nfs/dbraw/zinc/75/51/23/469755123.db2.gz SHAJHVOLBAABEJ-UHFFFAOYSA-N -1 0 339.461 2.381 10 30 EEEERM C=C(C)C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000630321962 469808905 /nfs/dbraw/zinc/80/89/05/469808905.db2.gz NJYFRHSXMNPAOU-JKIFEVAISA-N -1 0 346.427 2.449 10 30 EEEERM CC#CC[C@H](NS(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000650412445 470873878 /nfs/dbraw/zinc/87/38/78/470873878.db2.gz FPZOETLIMCGTTH-LBPRGKRZSA-N -1 0 337.422 2.355 10 30 EEEERM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000628037874 485706848 /nfs/dbraw/zinc/70/68/48/485706848.db2.gz NMRTYITXEPDHAD-TZMCWYRMSA-N -1 0 337.445 2.318 10 30 EEEERM Cc1ccc([C@@H](NS(=O)(=O)c2cccc(F)c2C#N)C(=O)[O-])cc1 ZINC000776499283 577460999 /nfs/dbraw/zinc/46/09/99/577460999.db2.gz FAMTXRXFTSALHK-OAHLLOKOSA-N -1 0 348.355 2.110 10 30 EEEERM C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000767966914 577548231 /nfs/dbraw/zinc/54/82/31/577548231.db2.gz YNXOPRRVEFGHRH-LBPRGKRZSA-N -1 0 339.413 2.022 10 30 EEEERM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1 ZINC000759717436 577648551 /nfs/dbraw/zinc/64/85/51/577648551.db2.gz HXWXKOMENIZVDH-AWEZNQCLSA-N -1 0 345.424 2.294 10 30 EEEERM CC(C)(C)OC1CC(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000754015447 577798671 /nfs/dbraw/zinc/79/86/71/577798671.db2.gz MPTIBVDTBHMREY-UHFFFAOYSA-N -1 0 342.461 2.110 10 30 EEEERM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1csc(C2CC2)n1 ZINC000747561007 577946329 /nfs/dbraw/zinc/94/63/29/577946329.db2.gz GHZBGEHGHPEQOI-UHFFFAOYSA-N -1 0 347.421 2.152 10 30 EEEERM COCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000125204259 686926632 /nfs/dbraw/zinc/92/66/32/686926632.db2.gz RTINMELJYOWILN-CYBMUJFWSA-N -1 0 348.447 2.237 10 30 EEEERM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C)c2)C1 ZINC000054426238 690084976 /nfs/dbraw/zinc/08/49/76/690084976.db2.gz FAZZYMDRTUNCDU-ZDUSSCGKSA-N -1 0 338.429 2.289 10 30 EEEERM C#CCc1c(C)[n-]n(-c2nc(-c3ccccn3)nc3c2CCC3)c1=O ZINC000899350247 693714172 /nfs/dbraw/zinc/71/41/72/693714172.db2.gz BFGVPQBPMLRMSP-CYBMUJFWSA-N -1 0 331.379 2.389 10 30 EEEERM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000073087072 1193345868 /nfs/dbraw/zinc/34/58/68/1193345868.db2.gz ZVBDYXJSZHYBLJ-AWEZNQCLSA-N -1 0 338.429 2.431 10 30 EEEERM Cc1nc([N-]S(=O)(=O)c2cc(F)cc(C#N)c2)cc(C2CC2)n1 ZINC000872005391 1198018896 /nfs/dbraw/zinc/01/88/96/1198018896.db2.gz GROFIHNIQSGULS-UHFFFAOYSA-N -1 0 332.360 2.474 10 30 EEEERM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1Cc1ccccc1 ZINC000810774976 1199741713 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C=CCCC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)OC ZINC000928320959 1206372773 /nfs/dbraw/zinc/37/27/73/1206372773.db2.gz VMCAXLSHLMFGAG-JTQLQIEISA-N -1 0 331.290 2.437 10 30 EEEERM C=CCC[C@H](NC(=O)NC[C@]1(c2ccccc2)CCCO1)C(=O)[O-] ZINC000929021519 1206439152 /nfs/dbraw/zinc/43/91/52/1206439152.db2.gz HKYATLGAEZNRPR-YJBOKZPZSA-N -1 0 332.400 2.411 10 30 EEEERM C#CC[C@H](NC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-])c1ccccc1 ZINC000929034610 1206440796 /nfs/dbraw/zinc/44/07/96/1206440796.db2.gz UOIOXEGVTZVMIM-MPGHIAIKSA-N -1 0 330.384 2.025 10 30 EEEERM CCCCS(=O)(=O)[N-]C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000078777400 1210396690 /nfs/dbraw/zinc/39/66/90/1210396690.db2.gz USAKXIZKVICSQM-CQSZACIVSA-N -1 0 326.418 2.340 10 30 EEEERM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c([O-])cc(F)cc1F ZINC001412866035 1215974970 /nfs/dbraw/zinc/97/49/70/1215974970.db2.gz YHSZBAOMDVXCRX-OAHLLOKOSA-N -1 0 332.306 2.348 10 30 EEEERM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1 ZINC000114988608 1227337200 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C=CCC[C@@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CC1)C(=O)[O-] ZINC000909716487 786196088 /nfs/dbraw/zinc/19/60/88/786196088.db2.gz RTGUEDQSDIAZIM-CYBMUJFWSA-N -1 0 331.368 2.025 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)Cc1c(C)nn(C(C)C)c1C)C(=O)[O-] ZINC000910270661 786598211 /nfs/dbraw/zinc/59/82/11/786598211.db2.gz JTTGWHFGCZPGDI-CYBMUJFWSA-N -1 0 327.812 2.335 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)[O-] ZINC000910271992 786600884 /nfs/dbraw/zinc/60/08/84/786600884.db2.gz ROXDTGWWNDMQDC-UWVGGRQHSA-N -1 0 344.761 2.265 10 30 EEEERM N#C[C@@]1(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC2CCC1CC2 ZINC000923101571 788834914 /nfs/dbraw/zinc/83/49/14/788834914.db2.gz JRMPAVDFFPORGV-ORMDDNLASA-N -1 0 346.427 2.235 10 30 EEEERM N#Cc1cc(NC(=O)C/C=C/C(=O)[O-])ccc1OCC(F)(F)F ZINC000044980449 789182185 /nfs/dbraw/zinc/18/21/85/789182185.db2.gz VUWRGCAZEUQDPT-HNQUOIGGSA-N -1 0 328.246 2.469 10 30 EEEERM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cc[nH]c1C1CCC1 ZINC000845434715 789775063 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Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccccc1C[S@@](C)=O ZINC001447488206 1102734895 /nfs/dbraw/zinc/73/48/95/1102734895.db2.gz FLRCMVLUNXWMSO-HSZRJFAPSA-N -1 0 329.381 2.098 10 30 EEEERM N#Cc1ccc([O-])c(NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)c1 ZINC001466537875 1110437927 /nfs/dbraw/zinc/43/79/27/1110437927.db2.gz GQMOUVNUZTUBSE-LBPRGKRZSA-N -1 0 325.299 2.152 10 30 EEEERM COc1ccc(-n2cc(C(=O)Nc3cc(C#N)ccc3[O-])nn2)cc1 ZINC001466537818 1110438021 /nfs/dbraw/zinc/43/80/21/1110438021.db2.gz DLRFKQXFAOOEAJ-UHFFFAOYSA-N -1 0 335.323 2.105 10 30 EEEERM C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001500673700 1113016579 /nfs/dbraw/zinc/01/65/79/1113016579.db2.gz ZIJXNNPGEMRKFJ-OCCSQVGLSA-N -1 0 348.447 2.137 10 30 EEEERM C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCC(CC)CC ZINC001520453373 1119166145 /nfs/dbraw/zinc/16/61/45/1119166145.db2.gz MPEVUZIMTSKXAB-UHFFFAOYSA-N -1 0 332.452 2.341 10 30 EEEERM C=CCC1(C(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])CCCCC1 ZINC001526639774 1120560193 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C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)O1 ZINC000594851328 468704859 /nfs/dbraw/zinc/70/48/59/468704859.db2.gz JLMWRRYDHCXHJR-MWLCHTKSSA-N -1 0 330.356 2.072 10 30 EEEERM N#Cc1ccc(CN(C(=O)NCC2(C(=O)[O-])CCC2)C2CC2)cc1 ZINC000595260875 468796343 /nfs/dbraw/zinc/79/63/43/468796343.db2.gz DQVZRRLLXPSSAS-UHFFFAOYSA-N -1 0 327.384 2.487 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)Nc2cc3ccccn3n2)cc1C#N ZINC000561148905 468867506 /nfs/dbraw/zinc/86/75/06/468867506.db2.gz QLHOLPHISXWMNQ-UHFFFAOYSA-N -1 0 325.353 2.281 10 30 EEEERM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccsc2C#N)C1 ZINC000593269842 468923497 /nfs/dbraw/zinc/92/34/97/468923497.db2.gz QMOCMWHKONDOEO-MNOVXSKESA-N -1 0 342.442 2.131 10 30 EEEERM COC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(C)o1 ZINC000593555414 469032687 /nfs/dbraw/zinc/03/26/87/469032687.db2.gz GOLYWJGEHPLJRB-SNVBAGLBSA-N -1 0 326.399 2.187 10 30 EEEERM Cc1ccc(NC(=O)[C@@H](C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cn1 ZINC000616177074 469390961 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C=CCOCCCNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000661794883 471886544 /nfs/dbraw/zinc/88/65/44/471886544.db2.gz ZZQLYQJSNAKHBW-UHFFFAOYSA-N -1 0 336.417 2.131 10 30 EEEERM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000760408820 577662439 /nfs/dbraw/zinc/66/24/39/577662439.db2.gz LPQFFVJDCOVFRH-UHFFFAOYSA-N -1 0 343.836 2.212 10 30 EEEERM C=CCCO[N-]C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000898939214 693537650 /nfs/dbraw/zinc/53/76/50/693537650.db2.gz LITMCSRHVNGPIG-LBPRGKRZSA-N -1 0 340.173 2.155 10 30 EEEERM N#Cc1cc(C(F)(F)F)cc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC000865753423 1198361592 /nfs/dbraw/zinc/36/15/92/1198361592.db2.gz MSKDFCNVJWYIPN-QMMMGPOBSA-N -1 0 339.277 2.445 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)c1ccc(C(C)=O)c(O)c1)C(=O)OCC ZINC000870034231 1200422512 /nfs/dbraw/zinc/42/25/12/1200422512.db2.gz ZUHOKTJOLJCVFW-ZDUSSCGKSA-N -1 0 339.775 2.399 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000870834605 1200899469 /nfs/dbraw/zinc/89/94/69/1200899469.db2.gz JRKIGAOUKHCXIG-UHFFFAOYSA-N -1 0 329.418 2.467 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000870834357 1200899917 /nfs/dbraw/zinc/89/99/17/1200899917.db2.gz WOKRRFZWZIEGDC-UHFFFAOYSA-N -1 0 329.368 2.452 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)C2(c3ccc(C)cc3)CCOCC2)CC1 ZINC000870835806 1200900857 /nfs/dbraw/zinc/90/08/57/1200900857.db2.gz RXFCNYSDAMKSLE-UHFFFAOYSA-N -1 0 349.452 2.208 10 30 EEEERM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000870838750 1200902039 /nfs/dbraw/zinc/90/20/39/1200902039.db2.gz LGHNNNBKEYHNID-CQSZACIVSA-N -1 0 335.425 2.280 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NCCc1c(F)cc(O)cc1F)C(=O)[O-] ZINC000929020453 1206438979 /nfs/dbraw/zinc/43/89/79/1206438979.db2.gz QUNBRCZAMLHMKG-GFCCVEGCSA-N -1 0 348.733 2.108 10 30 EEEERM Cc1ccc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000195495686 1211429021 /nfs/dbraw/zinc/42/90/21/1211429021.db2.gz YAIJSHVPWQJNHC-UHFFFAOYSA-N -1 0 342.420 2.446 10 30 EEEERM CO[C@@](C)(CNC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccccc1 ZINC001412980477 1216336327 /nfs/dbraw/zinc/33/63/27/1216336327.db2.gz KTYBHKFDFSCXOJ-SFHVURJKSA-N -1 0 325.368 2.259 10 30 EEEERM CCOc1cccc(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114988908 1227337768 /nfs/dbraw/zinc/33/77/68/1227337768.db2.gz INDHUBIXASBUPS-UHFFFAOYSA-N -1 0 344.392 2.384 10 30 EEEERM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114989453 1227338246 /nfs/dbraw/zinc/33/82/46/1227338246.db2.gz FXLQXAOAFHXOTF-UHFFFAOYSA-N -1 0 344.392 2.132 10 30 EEEERM C#CCOc1cccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c1 ZINC000901887495 1236547291 /nfs/dbraw/zinc/54/72/91/1236547291.db2.gz PPYGWFQHMUFROU-UHFFFAOYSA-N -1 0 331.397 2.421 10 30 EEEERM Cc1cc(C)nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000802146973 1236998904 /nfs/dbraw/zinc/99/89/04/1236998904.db2.gz CGSIEAGTYKMLSB-UHFFFAOYSA-N -1 0 335.429 2.232 10 30 EEEERM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CCC1 ZINC000802768659 1238175597 /nfs/dbraw/zinc/17/55/97/1238175597.db2.gz KOXACQGOCPXHSB-ZJUUUORDSA-N -1 0 338.351 2.105 10 30 EEEERM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)[C@H]2CCCO2)n1 ZINC000850080477 1277024206 /nfs/dbraw/zinc/02/42/06/1277024206.db2.gz JOWYQDLDAQYWHI-MPKXVKKWSA-N -1 0 336.413 2.376 10 30 EEEERM C=CCOCCCC(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851137938 1277486617 /nfs/dbraw/zinc/48/66/17/1277486617.db2.gz QKSBJKCPGZBGBP-UHFFFAOYSA-N -1 0 348.424 2.331 10 30 EEEERM C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)C(F)(F)F ZINC000860448341 1294973825 /nfs/dbraw/zinc/97/38/25/1294973825.db2.gz OFFLYZCMHJGQOL-VIFPVBQESA-N -1 0 334.319 2.093 10 30 EEEERM C#CC[C@@H]1CCN(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1 ZINC000862568256 1295883035 /nfs/dbraw/zinc/88/30/35/1295883035.db2.gz AACQXZICCPUWFD-CYBMUJFWSA-N -1 0 325.368 2.072 10 30 EEEERM C=C(Cl)C[C@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000863421684 1296273590 /nfs/dbraw/zinc/27/35/90/1296273590.db2.gz ZIGXIRYGMUBKDV-ZJUUUORDSA-N -1 0 345.795 2.327 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC000864182779 1296444119 /nfs/dbraw/zinc/44/41/19/1296444119.db2.gz PGAWJYUIAQZHHR-CYBMUJFWSA-N -1 0 336.775 2.361 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)c1cccc(OCCOC)c1)C(=O)[O-] ZINC000864183498 1296444733 /nfs/dbraw/zinc/44/47/33/1296444733.db2.gz GBTSDOANGPXNJR-CYBMUJFWSA-N -1 0 327.764 2.037 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)[O-] ZINC000864185548 1296445864 /nfs/dbraw/zinc/44/58/64/1296445864.db2.gz ZWNHRBZXVSAPTN-ZYHUDNBSSA-N -1 0 330.167 2.356 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)[C@@H](C)NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000864184392 1296445933 /nfs/dbraw/zinc/44/59/33/1296445933.db2.gz QMXIYDJQACYJLM-DGCLKSJQSA-N -1 0 344.839 2.174 10 30 EEEERM C=CCc1ccc(OCC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c(OC)c1 ZINC000864207391 1296459473 /nfs/dbraw/zinc/45/94/73/1296459473.db2.gz HBNRHPGDAGVVNI-IQUTYRLHSA-N -1 0 345.395 2.172 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NC[C@H](C)Oc1ccccc1F)C(=O)[O-] ZINC000864526652 1296575041 /nfs/dbraw/zinc/57/50/41/1296575041.db2.gz MMCAXDAOUAPNDV-CMPLNLGQSA-N -1 0 344.770 2.488 10 30 EEEERM C=C(Cl)C[C@H](NC(=O)NCCc1ncc(CC)s1)C(=O)[O-] ZINC000864526470 1296575145 /nfs/dbraw/zinc/57/51/45/1296575145.db2.gz IFIPTLGFPNURNL-JTQLQIEISA-N -1 0 331.825 2.143 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000864528446 1296576505 /nfs/dbraw/zinc/57/65/05/1296576505.db2.gz PUGWNRLDDMDNEV-LLVKDONJSA-N -1 0 330.743 2.229 10 30 EEEERM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000797560514 1304775799 /nfs/dbraw/zinc/77/57/99/1304775799.db2.gz LJLIRFUOKFEEHK-NWANDNLSSA-N -1 0 332.425 2.176 10 30 EEEERM C=CCCC[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001119398536 1309065473 /nfs/dbraw/zinc/06/54/73/1309065473.db2.gz YEJSQEOFXWVPQC-JYJNAYRXSA-N -1 0 344.411 2.180 10 30 EEEERM C#CCCOc1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC001154321581 1317072023 /nfs/dbraw/zinc/07/20/23/1317072023.db2.gz RNPAOXHKWDZTAK-UHFFFAOYSA-N -1 0 349.350 2.022 10 30 EEEERM C=C(C)C[C@H](C)C(=O)NC[C@](C)(NC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001285131416 1326881138 /nfs/dbraw/zinc/88/11/38/1326881138.db2.gz ADPZEMRHIVLIKS-VOJFVSQTSA-N -1 0 348.447 2.041 10 30 EEEERM C=CC[C@H](NC(=O)c1cc(C)n(C[C@H]2CCCOC2)c1C)C(=O)[O-] ZINC001335431438 1336374489 /nfs/dbraw/zinc/37/44/89/1336374489.db2.gz JQZMPLVHCXQXMD-ZBFHGGJFSA-N -1 0 334.416 2.291 10 30 EEEERM C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001354024063 1338394730 /nfs/dbraw/zinc/39/47/30/1338394730.db2.gz KWIXGBYWLIJOKE-JSGCOSHPSA-N -1 0 348.447 2.137 10 30 EEEERM C=C[C@H](CO)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001561776639 1342530816 /nfs/dbraw/zinc/53/08/16/1342530816.db2.gz DSWCDWWLZSTOQI-MRVPVSSYSA-N -1 0 346.202 2.021 10 30 EEEERM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOc1ccc2c(c1)CCC2 ZINC001626363102 1352460907 /nfs/dbraw/zinc/46/09/07/1352460907.db2.gz HYAVUROYPPZHAG-UHFFFAOYSA-N -1 0 337.379 2.265 10 30 EEEERM C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001649443235 1353508694 /nfs/dbraw/zinc/50/86/94/1353508694.db2.gz JTWKQUKZBHBORV-CQSZACIVSA-N -1 0 343.431 2.060 10 30 EEEERM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)Oc3ncccc32)cc1C#N ZINC001650235445 1353789330 /nfs/dbraw/zinc/78/93/30/1353789330.db2.gz MXKJPHFKOVSSIL-SECBINFHSA-N -1 0 342.380 2.203 10 30 EEEERM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000075799538 773573238 /nfs/dbraw/zinc/57/32/38/773573238.db2.gz QOFPWUYHTBSROR-NSHDSACASA-N -1 0 326.418 2.024 10 30 EEEERM C=CCC1(C(=O)[O-])CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000906006813 783638607 /nfs/dbraw/zinc/63/86/07/783638607.db2.gz IRYYIJICWWYZLL-NSHDSACASA-N -1 0 337.388 2.104 10 30 EEEERM CC1(C)CCc2sc([N-]S(=O)(=O)N=S(C)(C)=O)c(C#N)c21 ZINC000906077829 783704544 /nfs/dbraw/zinc/70/45/44/783704544.db2.gz NUWTVPMSDOINGK-UHFFFAOYSA-N -1 0 347.487 2.228 10 30 EEEERM C=CCOc1ccccc1C(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1 ZINC000907898153 784942844 /nfs/dbraw/zinc/94/28/44/784942844.db2.gz HQBIHRKFQVVQPZ-ZDUSSCGKSA-N -1 0 333.384 2.251 10 30 EEEERM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000817711731 784949349 /nfs/dbraw/zinc/94/93/49/784949349.db2.gz DYNBCDGVIGUIPU-JTQLQIEISA-N -1 0 344.314 2.182 10 30 EEEERM C=CCOc1ccc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000908100564 785076957 /nfs/dbraw/zinc/07/69/57/785076957.db2.gz CCKSUZWFPRYDMN-AWEZNQCLSA-N -1 0 341.367 2.411 10 30 EEEERM C=CCCC[C@H](NC(=O)NCc1ccc(N2CCCC2)nc1)C(=O)[O-] ZINC000908782781 785721035 /nfs/dbraw/zinc/72/10/35/785721035.db2.gz QIHUEOMBYDTDRJ-HNNXBMFYSA-N -1 0 346.431 2.291 10 30 EEEERM C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000910268183 786595486 /nfs/dbraw/zinc/59/54/86/786595486.db2.gz WXCYUGOYYNNHML-MWLCHTKSSA-N -1 0 325.748 2.231 10 30 EEEERM C=CCCC[C@@H](NC(=O)c1cn(-c2ccccc2Cl)nn1)C(=O)[O-] ZINC000910915415 787120329 /nfs/dbraw/zinc/12/03/29/787120329.db2.gz ZJFLFPZVLCDJCF-GFCCVEGCSA-N -1 0 348.790 2.460 10 30 EEEERM C=CCCC[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)C(=O)[O-] 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