smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCCC[C@H]1CC(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001565992226 1125488544 /nfs/dbraw/zinc/48/85/44/1125488544.db2.gz FLSCJVHLFVQBPB-ZDUSSCGKSA-N -1 3 345.447 2.018 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@]2(C)CCC[C@@H]2CC)n1 ZINC001479604565 1098628255 /nfs/dbraw/zinc/62/82/55/1098628255.db2.gz NDZJPHFABWEURN-IFXJQAMLSA-N -1 3 344.459 2.128 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCC[C@@H]2CC)n1 ZINC001479608975 1098631292 /nfs/dbraw/zinc/63/12/92/1098631292.db2.gz RAACLPTVEAZAMW-HOCLYGCPSA-N -1 3 344.459 2.128 10 30 EEEEHM Cc1c(Cl)cnc(NCc2nc3c(c(=O)[n-]2)COCC3)c1C#N ZINC001472860050 1110564631 /nfs/dbraw/zinc/56/46/31/1110564631.db2.gz JQFXVEYENFLQOM-UHFFFAOYSA-N -1 3 331.763 2.096 10 30 EEEEHM C=CCCCC(=O)N[C@H]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001509771302 1115901462 /nfs/dbraw/zinc/90/14/62/1115901462.db2.gz MDKJXOBFIORNJF-KBPBESRZSA-N -1 3 346.431 2.004 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N(CC)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001523930584 1119926757 /nfs/dbraw/zinc/92/67/57/1119926757.db2.gz YZYIAIVUQOUMJZ-CYBMUJFWSA-N -1 3 348.447 2.061 10 30 EEEEHM C=C[C@@H](C)[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001526115502 1120441289 /nfs/dbraw/zinc/44/12/89/1120441289.db2.gz UBKORFJIZNGZBT-KSRBRMDJSA-N -1 3 328.412 2.037 10 30 EEEEHM C=CCC(CC=C)C(=O)N1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001534681207 1123383853 /nfs/dbraw/zinc/38/38/53/1123383853.db2.gz GIZFVKVXYFREFB-HNNXBMFYSA-N -1 3 328.412 2.491 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccccc1O ZINC000159664658 255796609 /nfs/dbraw/zinc/79/66/09/255796609.db2.gz ACOCNJWSRLXWIA-UHFFFAOYSA-N -1 3 336.800 2.438 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c1 ZINC000313795933 160531332 /nfs/dbraw/zinc/53/13/32/160531332.db2.gz LAQQUKRBUWAAPC-NEPJUHHUSA-N -1 3 328.821 2.041 10 30 EEEEHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccccc1 ZINC000185579417 160042053 /nfs/dbraw/zinc/04/20/53/160042053.db2.gz RTSHJUVUIPBLTA-HNNXBMFYSA-N -1 3 346.408 2.233 10 30 EEEEHM COC1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCCCC1 ZINC000360010232 164215399 /nfs/dbraw/zinc/21/53/99/164215399.db2.gz FHTOZFBOJGNDCQ-UHFFFAOYSA-N -1 3 340.420 2.466 10 30 EEEEHM N#Cc1ccccc1N1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000364607822 165205616 /nfs/dbraw/zinc/20/56/16/165205616.db2.gz PEIOIQJOTCMTEX-AWEZNQCLSA-N -1 3 331.397 2.099 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)c3ccc4n[n-]nc4c3)CCOCC2)cc1 ZINC000530061576 268210353 /nfs/dbraw/zinc/21/03/53/268210353.db2.gz ICQTVWPWIWFODV-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c(F)c1 ZINC000569171106 319551316 /nfs/dbraw/zinc/55/13/16/319551316.db2.gz RGJPSMBXMNCHOX-UHFFFAOYSA-N -1 3 340.326 2.497 10 30 EEEEHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000095393237 463074685 /nfs/dbraw/zinc/07/46/85/463074685.db2.gz WEHZRQWFGZAKIU-IWSPIJDZSA-N -1 3 345.325 2.449 10 30 EEEEHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000095393237 463074688 /nfs/dbraw/zinc/07/46/88/463074688.db2.gz WEHZRQWFGZAKIU-IWSPIJDZSA-N -1 3 345.325 2.449 10 30 EEEEHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000187843814 464167810 /nfs/dbraw/zinc/16/78/10/464167810.db2.gz YHIKINHIUWZPIX-UHFFFAOYSA-N -1 3 338.335 2.324 10 30 EEEEHM C=CCC(F)(F)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000293317302 464400613 /nfs/dbraw/zinc/40/06/13/464400613.db2.gz XUVUDZGRIHIYFU-UHFFFAOYSA-N -1 3 348.346 2.416 10 30 EEEEHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000282408203 464807389 /nfs/dbraw/zinc/80/73/89/464807389.db2.gz DYYQGGMRKGCAIC-UHFFFAOYSA-N -1 3 342.442 2.143 10 30 EEEEHM COc1cc([C@@H](C#N)NC(=O)c2cccc([O-])c2)cc(OC)c1OC ZINC000357334999 465956893 /nfs/dbraw/zinc/95/68/93/465956893.db2.gz JLWNGDDMHYEEEU-CQSZACIVSA-N -1 3 342.351 2.413 10 30 EEEEHM COCCCn1c(=O)[n-]nc1SCc1c(C#N)cccc1[N+](=O)[O-] ZINC000412983710 467152379 /nfs/dbraw/zinc/15/23/79/467152379.db2.gz OJSYOYUGJWTIKD-UHFFFAOYSA-N -1 3 349.372 2.092 10 30 EEEEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000420736298 467468265 /nfs/dbraw/zinc/46/82/65/467468265.db2.gz YCUSJGSAPCLINU-CHWSQXEVSA-N -1 3 328.821 2.448 10 30 EEEEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc(C)c1O ZINC000435437346 467469161 /nfs/dbraw/zinc/46/91/61/467469161.db2.gz JFOKUXYXOJBXIR-UHFFFAOYSA-N -1 3 336.438 2.463 10 30 EEEEHM CCC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccn1 ZINC000589892465 468192922 /nfs/dbraw/zinc/19/29/22/468192922.db2.gz CCPJXUIQEXCXBP-INIZCTEOSA-N -1 3 330.413 2.476 10 30 EEEEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000592087146 468617240 /nfs/dbraw/zinc/61/72/40/468617240.db2.gz UKCCTYBQBXLIGS-BETUJISGSA-N -1 3 326.393 2.322 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(=O)OC ZINC000601501517 468896272 /nfs/dbraw/zinc/89/62/72/468896272.db2.gz BOAWSURLCYXYLK-CQSZACIVSA-N -1 3 329.393 2.061 10 30 EEEEHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593558140 469034033 /nfs/dbraw/zinc/03/40/33/469034033.db2.gz SKNJFDYTFLOIAW-ZDUSSCGKSA-N -1 3 336.438 2.156 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000593565115 469038463 /nfs/dbraw/zinc/03/84/63/469038463.db2.gz FDXSKOTYFSWKRM-VXGBXAGGSA-N -1 3 328.459 2.229 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CO)CC1CCCCC1 ZINC000593606743 469056142 /nfs/dbraw/zinc/05/61/42/469056142.db2.gz AFNFZLJAVHNNHD-LBPRGKRZSA-N -1 3 328.459 2.229 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000599483748 469272387 /nfs/dbraw/zinc/27/23/87/469272387.db2.gz WCNHNMOYAJBMQJ-MFKMUULPSA-N -1 3 326.805 2.057 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000528553645 518185091 /nfs/dbraw/zinc/18/50/91/518185091.db2.gz OZXNGYUSAKBRES-RZGXBDKHSA-N -1 3 328.821 2.302 10 30 EEEEHM C=CCCC[C@@H](C)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773871737 577370658 /nfs/dbraw/zinc/37/06/58/577370658.db2.gz LLAZJXUSMBMPEA-GFCCVEGCSA-N -1 3 336.413 2.013 10 30 EEEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cnc2ccccc2n1 ZINC000255552719 678676181 /nfs/dbraw/zinc/67/61/81/678676181.db2.gz LXPYGVKQFGEEGJ-CKXPSTMWSA-N -1 3 343.346 2.386 10 30 EEEEHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCCC[C@H]2C#N)ccc1F ZINC000124404423 1198515090 /nfs/dbraw/zinc/51/50/90/1198515090.db2.gz WCAFJKHSHUYNHX-SMDDNHRTSA-N -1 3 340.376 2.436 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000870692395 1200816169 /nfs/dbraw/zinc/81/61/69/1200816169.db2.gz CIPIFEZVRKPGAU-KRWDZBQOSA-N -1 3 336.395 2.275 10 30 EEEEHM C#CCC1(O)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000880482093 1201498910 /nfs/dbraw/zinc/49/89/10/1201498910.db2.gz XJGZSQXXMLRKLV-UHFFFAOYSA-N -1 3 337.379 2.432 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000868562476 1201835390 /nfs/dbraw/zinc/83/53/90/1201835390.db2.gz FQSSRTLVNXYTIH-JKSUJKDBSA-N -1 3 331.416 2.242 10 30 EEEEHM C=CCCc1ccccc1[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000882723191 1201928721 /nfs/dbraw/zinc/92/87/21/1201928721.db2.gz QQJKSTLWADQRRY-HXUWFJFHSA-N -1 3 331.463 2.036 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@H]([C@@H]3CCCCO3)C1)cc2=O ZINC001413036874 1216974033 /nfs/dbraw/zinc/97/40/33/1216974033.db2.gz UGYNVTQMDZAICJ-BBRMVZONSA-N -1 3 341.415 2.088 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(C)(C)C ZINC001190910591 1281146803 /nfs/dbraw/zinc/14/68/03/1281146803.db2.gz OUHCDIFEBLKBRE-SECBINFHSA-N -1 3 331.235 2.170 10 30 EEEEHM C=CC(C)(C)CC(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001489076484 1290360744 /nfs/dbraw/zinc/36/07/44/1290360744.db2.gz MOUIGKIDQMQUTM-AATRIKPKSA-N -1 3 338.839 2.243 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCOC2(CCC2)C1 ZINC001122490662 1310308988 /nfs/dbraw/zinc/30/89/88/1310308988.db2.gz PNNNXYINJIRYRJ-UHFFFAOYSA-N -1 3 349.826 2.052 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCOC2(CCC2)C1 ZINC001122490662 1310308999 /nfs/dbraw/zinc/30/89/99/1310308999.db2.gz PNNNXYINJIRYRJ-UHFFFAOYSA-N -1 3 349.826 2.052 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](CCNC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001287460683 1327501010 /nfs/dbraw/zinc/50/10/10/1327501010.db2.gz LVVLCVHAAWCJHQ-CQSZACIVSA-N -1 3 348.447 2.108 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC=C)C1 ZINC001262988495 1322416925 /nfs/dbraw/zinc/41/69/25/1322416925.db2.gz UGWUBGFCLUEMMI-CQSZACIVSA-N -1 3 338.415 2.175 10 30 EEEEHM C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001280698457 1324419425 /nfs/dbraw/zinc/41/94/25/1324419425.db2.gz RFTFIHLAVOWNNM-PHZGNYQRSA-N -1 3 328.412 2.183 10 30 EEEEHM C=CCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001286327455 1327374389 /nfs/dbraw/zinc/37/43/89/1327374389.db2.gz HUXHWCPUUQKTAF-QWHCGFSZSA-N -1 3 341.415 2.081 10 30 EEEEHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@@H]1C ZINC001287879413 1327555325 /nfs/dbraw/zinc/55/53/25/1327555325.db2.gz DHSQHAUKJGYMRS-JSGCOSHPSA-N -1 3 341.415 2.033 10 30 EEEEHM C=C(C)CCC(=O)NC1CCC(NC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001295398330 1329808651 /nfs/dbraw/zinc/80/86/51/1329808651.db2.gz KCFRHDLILIKGCL-UHFFFAOYSA-N -1 3 346.431 2.004 10 30 EEEEHM CC[C@H]1CN(C(=O)C#CC(C)C)CC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298955603 1330137321 /nfs/dbraw/zinc/13/73/21/1330137321.db2.gz BOZOYJWNXHFIDF-RDJZCZTQSA-N -1 3 342.439 2.409 10 30 EEEEHM C=CCCn1cc(C(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)nn1 ZINC001436115517 1342011999 /nfs/dbraw/zinc/01/19/99/1342011999.db2.gz QYBLIYOSFLKPMQ-UHFFFAOYSA-N -1 3 336.298 2.171 10 30 EEEEHM C#CCCCC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572419010 1343486403 /nfs/dbraw/zinc/48/64/03/1343486403.db2.gz RIKVSUMGHWLVMY-PXNSSMCTSA-N -1 3 340.423 2.449 10 30 EEEEHM C=CCO[N-]C(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O ZINC001635641284 1352649666 /nfs/dbraw/zinc/64/96/66/1352649666.db2.gz ZNWAFAMIYBODOQ-UHFFFAOYSA-N -1 3 328.246 2.274 10 30 EEEEHM C=CCONC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001635641284 1352649671 /nfs/dbraw/zinc/64/96/71/1352649671.db2.gz ZNWAFAMIYBODOQ-UHFFFAOYSA-N -1 3 328.246 2.274 10 30 EEEEHM C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649520007 1353546474 /nfs/dbraw/zinc/54/64/74/1353546474.db2.gz MMWQLSIOGPCIPV-WBVHZDCISA-N -1 3 340.423 2.259 10 30 EEEEHM C#C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Br)cc1 ZINC001655512136 1354175869 /nfs/dbraw/zinc/17/58/69/1354175869.db2.gz CALLCVKBDCHTEE-GFCCVEGCSA-N -1 3 328.173 2.275 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001682278997 1358156101 /nfs/dbraw/zinc/15/61/01/1358156101.db2.gz XSXVHSIHHVTUSX-DOTOQJQBSA-N -1 3 340.423 2.259 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001685166488 1358311557 /nfs/dbraw/zinc/31/15/57/1358311557.db2.gz ATWGQLIVPMBNEV-YCPHGPKFSA-N -1 3 346.427 2.093 10 30 EEEEHM C/C(=C/C(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000820179824 785823734 /nfs/dbraw/zinc/82/37/34/785823734.db2.gz RBRBQPOXGWSGSZ-LAUAKBEESA-N -1 3 328.290 2.215 10 30 EEEEHM CSc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cnn1C ZINC000791772184 809397218 /nfs/dbraw/zinc/39/72/18/809397218.db2.gz YRXMCBIICUOOOA-GFCCVEGCSA-N -1 3 328.397 2.412 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@]2(C)CCC[C@H]2CC)n1 ZINC001479604563 1098627866 /nfs/dbraw/zinc/62/78/66/1098627866.db2.gz NDZJPHFABWEURN-AUUYWEPGSA-N -1 3 344.459 2.128 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2(C#N)CCSCC2)c1 ZINC001466109519 1110429989 /nfs/dbraw/zinc/42/99/89/1110429989.db2.gz FQSHVGKLQAEHAZ-UHFFFAOYSA-N -1 3 331.397 2.036 10 30 EEEEHM C=CCCC1(CNC(=O)Nc2n[n-]nc2C(=O)NC2CC2)CCCC1 ZINC001467512453 1110457568 /nfs/dbraw/zinc/45/75/68/1110457568.db2.gz IZWZHVNNCFWBDN-UHFFFAOYSA-N -1 3 346.435 2.345 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N(CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001528867760 1121209814 /nfs/dbraw/zinc/20/98/14/1121209814.db2.gz HERFQNAHSQQRGE-CYBMUJFWSA-N -1 3 343.431 2.139 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nccs1 ZINC000185674034 160044702 /nfs/dbraw/zinc/04/47/02/160044702.db2.gz HJTKXBSVTARHCO-NSHDSACASA-N -1 3 337.426 2.453 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc2cc[nH]c2n1 ZINC000352528707 162173152 /nfs/dbraw/zinc/17/31/52/162173152.db2.gz DTFMNQLGYFHXGG-UHFFFAOYSA-N -1 3 330.344 2.052 10 30 EEEEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000352977067 162370815 /nfs/dbraw/zinc/37/08/15/162370815.db2.gz LDWLCNSBBNWEDZ-SSDOTTSWSA-N -1 3 342.833 2.411 10 30 EEEEHM Cc1ccc([O-])c(CN2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000091918070 462914096 /nfs/dbraw/zinc/91/40/96/462914096.db2.gz YYCULGDNQUUPDV-UHFFFAOYSA-N -1 3 326.375 2.429 10 30 EEEEHM Cc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c([O-])c1C ZINC000079731060 463245003 /nfs/dbraw/zinc/24/50/03/463245003.db2.gz NVZOSBBUTSPWHN-UHFFFAOYSA-N -1 3 336.395 2.238 10 30 EEEEHM C=C(C)COCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000342970286 465423786 /nfs/dbraw/zinc/42/37/86/465423786.db2.gz HZSUXTNWFBHHHX-UHFFFAOYSA-N -1 3 328.206 2.406 10 30 EEEEHM C=CCN(CC(F)(F)F)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000058272490 463563781 /nfs/dbraw/zinc/56/37/81/463563781.db2.gz MUQPNUYWKZYYEH-UHFFFAOYSA-N -1 3 336.335 2.249 10 30 EEEEHM C=CC[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000172323132 464053468 /nfs/dbraw/zinc/05/34/68/464053468.db2.gz WJKZFAFSJXTHLJ-LBPRGKRZSA-N -1 3 326.400 2.154 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@@H]3C)no2)ccc1F ZINC000545770394 468404800 /nfs/dbraw/zinc/40/48/00/468404800.db2.gz XWGBUHNCFFFYKF-GXSJLCMTSA-N -1 3 337.376 2.463 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N(C[C@@H](C)C#N)C1CC1)c2=O ZINC000412214616 467039878 /nfs/dbraw/zinc/03/98/78/467039878.db2.gz MEXYXCSODAGWNM-NSHDSACASA-N -1 3 325.368 2.301 10 30 EEEEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000525835844 467645015 /nfs/dbraw/zinc/64/50/15/467645015.db2.gz OFKFHQCXMRONKG-INIZCTEOSA-N -1 3 328.478 2.321 10 30 EEEEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000528493843 467687323 /nfs/dbraw/zinc/68/73/23/467687323.db2.gz IOHLDILJAUZGQC-OTYXRUKQSA-N -1 3 326.805 2.057 10 30 EEEEHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(C#N)ccn1 ZINC000487019694 468018532 /nfs/dbraw/zinc/01/85/32/468018532.db2.gz ZKEFDSYMCNEUBW-UHFFFAOYSA-N -1 3 342.380 2.256 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OC ZINC000601501808 468897053 /nfs/dbraw/zinc/89/70/53/468897053.db2.gz HAYURGWICJBHFS-LBPRGKRZSA-N -1 3 333.356 2.059 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601514255 468903024 /nfs/dbraw/zinc/90/30/24/468903024.db2.gz INVAQJPAGKJJLW-ZBFHGGJFSA-N -1 3 338.404 2.323 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCc2cccnc21 ZINC000601527896 468908921 /nfs/dbraw/zinc/90/89/21/468908921.db2.gz WTVZQBBXIYXAOY-LBPRGKRZSA-N -1 3 331.372 2.101 10 30 EEEEHM Cn1c(C([O-])=C(C#N)c2nc3ccccc3o2)c2n(c1=O)CCCC2 ZINC000572355756 468920265 /nfs/dbraw/zinc/92/02/65/468920265.db2.gz FYTIQBRYTHCVBG-NSHDSACASA-N -1 3 336.351 2.154 10 30 EEEEHM C[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)N(C)c1ccccc1 ZINC000593536638 469022707 /nfs/dbraw/zinc/02/27/07/469022707.db2.gz GCARDXDRLSNEQZ-GFCCVEGCSA-N -1 3 335.454 2.423 10 30 EEEEHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593552431 469031425 /nfs/dbraw/zinc/03/14/25/469031425.db2.gz GFFLCNNJSMQXIL-AAEUAGOBSA-N -1 3 336.438 2.063 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CC[C@@H]1CCc2ccccc2N1 ZINC000593729942 469112477 /nfs/dbraw/zinc/11/24/77/469112477.db2.gz KPOCKNXMUXFIIN-AWEZNQCLSA-N -1 3 342.424 2.049 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000599361286 469227846 /nfs/dbraw/zinc/22/78/46/469227846.db2.gz UIYSZPJTUYCKRS-JTQLQIEISA-N -1 3 345.383 2.392 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617037839 469581049 /nfs/dbraw/zinc/58/10/49/469581049.db2.gz RJMJMJMICSZBPZ-CHWSQXEVSA-N -1 3 342.486 2.278 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617037840 469581518 /nfs/dbraw/zinc/58/15/18/469581518.db2.gz RJMJMJMICSZBPZ-OLZOCXBDSA-N -1 3 342.486 2.278 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000633964633 470652053 /nfs/dbraw/zinc/65/20/53/470652053.db2.gz QBBSLWOQRQKYIU-IBGZPJMESA-N -1 3 343.427 2.463 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2ccsc2)CCCCC1 ZINC000356252075 534563977 /nfs/dbraw/zinc/56/39/77/534563977.db2.gz KBCZWISKFJDKNQ-CYBMUJFWSA-N -1 3 328.459 2.175 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000775335356 577435244 /nfs/dbraw/zinc/43/52/44/577435244.db2.gz IKZCGXJYZKGTPX-UONOGXRCSA-N -1 3 337.427 2.437 10 30 EEEEHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)CC2(C#N)CCCC2)c(C)o1 ZINC000759041858 577636069 /nfs/dbraw/zinc/63/60/69/577636069.db2.gz SYNGKZBBGXXEMA-HNNXBMFYSA-N -1 3 340.445 2.107 10 30 EEEEHM C=CCc1cc(OCC)cc(CN2CCO[C@@H](C(=O)OCC)C2)c1[O-] ZINC000741242454 578115279 /nfs/dbraw/zinc/11/52/79/578115279.db2.gz PMVBWWGPJZVZQO-QGZVFWFLSA-N -1 3 349.427 2.283 10 30 EEEEHM C#CCN(CC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)C1CCCCC1 ZINC000741780024 578123824 /nfs/dbraw/zinc/12/38/24/578123824.db2.gz GTXJWSCRVLNUTD-OAHLLOKOSA-N -1 3 328.460 2.482 10 30 EEEEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174902 694320389 /nfs/dbraw/zinc/32/03/89/694320389.db2.gz LCMXQBIZQCZVID-FZMZJTMJSA-N -1 3 340.420 2.491 10 30 EEEEHM C=CCOCCCC(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001687204956 1177103868 /nfs/dbraw/zinc/10/38/68/1177103868.db2.gz OZTCBZPGNSEGJS-OAHLLOKOSA-N -1 3 346.427 2.048 10 30 EEEEHM C=CC(C)(C)C(=O)N(C)CCNCc1nc(=O)c2sccc2[n-]1 ZINC001481266994 1180523463 /nfs/dbraw/zinc/52/34/63/1180523463.db2.gz QBLOSDSHRZFNNW-UHFFFAOYSA-N -1 3 334.445 2.157 10 30 EEEEHM C=CCN(CC(=O)OCC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000126134804 1199753868 /nfs/dbraw/zinc/75/38/68/1199753868.db2.gz ZFGJWIMKEUVRKK-UHFFFAOYSA-N -1 3 341.367 2.220 10 30 EEEEHM C=C(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119163013 1229462095 /nfs/dbraw/zinc/46/20/95/1229462095.db2.gz DUXSUQAIHPGWTD-UHFFFAOYSA-N -1 3 335.179 2.212 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC001191747722 1281594633 /nfs/dbraw/zinc/59/46/33/1281594633.db2.gz OJCDFFMMDGFLKV-CQSZACIVSA-N -1 3 334.328 2.387 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CCOCC1 ZINC000851826873 1291866144 /nfs/dbraw/zinc/86/61/44/1291866144.db2.gz APWVZMQZUGKQOG-LLVKDONJSA-N -1 3 333.862 2.417 10 30 EEEEHM N#Cc1ccc2c(c1)C[C@H](NC(=O)c1nnc3ccccc3c1[O-])C2 ZINC001152566588 1316690439 /nfs/dbraw/zinc/69/04/39/1316690439.db2.gz YIKOPMPWDKXYHV-CQSZACIVSA-N -1 3 330.347 2.104 10 30 EEEEHM C=CCN1CC[C@@H](N(C)C(=O)c2cc3sccc3c([O-])c2)C1=O ZINC001155856899 1317767343 /nfs/dbraw/zinc/76/73/43/1317767343.db2.gz AGXICKZWIQXREK-CYBMUJFWSA-N -1 3 330.409 2.466 10 30 EEEEHM C#CCSCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158346079 1319188436 /nfs/dbraw/zinc/18/84/36/1319188436.db2.gz SEPSYHHUMKVLPU-UHFFFAOYSA-N -1 3 329.381 2.072 10 30 EEEEHM C#CCSCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158346079 1319188442 /nfs/dbraw/zinc/18/84/42/1319188442.db2.gz SEPSYHHUMKVLPU-UHFFFAOYSA-N -1 3 329.381 2.072 10 30 EEEEHM C#Cc1ccc(C(=O)NC[C@@H](NC(=O)c2ccccc2[O-])C2CC2)cc1 ZINC001294912995 1329763391 /nfs/dbraw/zinc/76/33/91/1329763391.db2.gz KWOZHLWTKCMAMA-GOSISDBHSA-N -1 3 348.402 2.312 10 30 EEEEHM C=C(C)CCC(=O)N1CCC[C@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001295968993 1329861092 /nfs/dbraw/zinc/86/10/92/1329861092.db2.gz WBEPKUDAMYKFOR-CQSZACIVSA-N -1 3 346.431 2.040 10 30 EEEEHM CC(C)(C)C#CC(=O)N(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001296555117 1329900021 /nfs/dbraw/zinc/90/00/21/1329900021.db2.gz WGKAGGFDZGRHGV-UHFFFAOYSA-N -1 3 328.412 2.163 10 30 EEEEHM C=CCO[C@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001336496829 1336553786 /nfs/dbraw/zinc/55/37/86/1336553786.db2.gz PZRWWPXDIZTQGZ-JTQLQIEISA-N -1 3 334.322 2.223 10 30 EEEEHM N#Cc1c(F)cc(C[N-]C(=O)C(F)(F)C2(O)CCCC2)cc1F ZINC000848034610 1338462271 /nfs/dbraw/zinc/46/22/71/1338462271.db2.gz VOHUIOAPRBJTQD-UHFFFAOYSA-N -1 3 330.281 2.393 10 30 EEEEHM CCCCN([O-])C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001559035337 1342496010 /nfs/dbraw/zinc/49/60/10/1342496010.db2.gz MMFGISXENDDZPQ-YVEFUNNKSA-N -1 3 339.436 2.141 10 30 EEEEHM O=C(/C=C/c1ccc(F)c2ccccc12)N[C@@H]1CCCN([O-])C1=O ZINC001569676776 1342922637 /nfs/dbraw/zinc/92/26/37/1342922637.db2.gz YKWUARBYLVMNJO-XAVKZTDYSA-N -1 3 328.343 2.489 10 30 EEEEHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001570082217 1343010867 /nfs/dbraw/zinc/01/08/67/1343010867.db2.gz ZIGQXJVFAOQJJJ-ZDUSSCGKSA-N -1 3 338.758 2.019 10 30 EEEEHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001570082217 1343010870 /nfs/dbraw/zinc/01/08/70/1343010870.db2.gz ZIGQXJVFAOQJJJ-ZDUSSCGKSA-N -1 3 338.758 2.019 10 30 EEEEHM C#CCCCC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572031820 1343364830 /nfs/dbraw/zinc/36/48/30/1343364830.db2.gz RWDZAZDVKRQHRV-GJZGRUSLSA-N -1 3 328.412 2.353 10 30 EEEEHM CC#CCCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001582898046 1344825425 /nfs/dbraw/zinc/82/54/25/1344825425.db2.gz AEGANLKDDOYOAB-MRXNPFEDSA-N -1 3 330.428 2.456 10 30 EEEEHM C#CC(C)(C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001628012117 1352517492 /nfs/dbraw/zinc/51/74/92/1352517492.db2.gz HRNHYLVOBHKMQW-UHFFFAOYSA-N -1 3 333.185 2.432 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OCC ZINC001665796894 1355389779 /nfs/dbraw/zinc/38/97/79/1355389779.db2.gz GLACBQKVMBNLRU-NSHDSACASA-N -1 3 347.383 2.449 10 30 EEEEHM C=C(Cl)CN1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C(C)(C)C1 ZINC000940975566 779603095 /nfs/dbraw/zinc/60/30/95/779603095.db2.gz LLSWHWISPHRJCY-GFCCVEGCSA-N -1 3 338.839 2.073 10 30 EEEEHM CCc1ccc(-c2nc(CC(=O)N[C@H]3CCN([O-])C3=O)cs2)cc1 ZINC000820178746 785823804 /nfs/dbraw/zinc/82/38/04/785823804.db2.gz ABVURUGVGWZPAY-AWEZNQCLSA-N -1 3 345.424 2.021 10 30 EEEEHM Cn1cnc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1=O ZINC001184235745 801942178 /nfs/dbraw/zinc/94/21/78/801942178.db2.gz OALAESSKSSDBEW-UHFFFAOYSA-N -1 3 328.155 2.119 10 30 EEEEHM CSc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cnn1C ZINC000791772185 809397109 /nfs/dbraw/zinc/39/71/09/809397109.db2.gz YRXMCBIICUOOOA-LBPRGKRZSA-N -1 3 328.397 2.412 10 30 EEEEHM C=CCOc1cccnc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472109978 1110543128 /nfs/dbraw/zinc/54/31/28/1110543128.db2.gz ZIXHMCHKBFPEQA-MRVPVSSYSA-N -1 3 341.293 2.274 10 30 EEEEHM C#CCN(C(=O)[C@H](F)CC)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001506350846 1114560455 /nfs/dbraw/zinc/56/04/55/1114560455.db2.gz WBNSOHIPXBSXSL-MRXNPFEDSA-N -1 3 346.402 2.207 10 30 EEEEHM C=CCCCC(=O)N(CCNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001529767787 1121581000 /nfs/dbraw/zinc/58/10/00/1121581000.db2.gz PBOXWIWWPVVERO-UHFFFAOYSA-N -1 3 341.415 2.035 10 30 EEEEHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000088810363 539370724 /nfs/dbraw/zinc/37/07/24/539370724.db2.gz VOTGXZQERCDABV-JTQLQIEISA-N -1 3 342.355 2.363 10 30 EEEEHM C#CC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1 ZINC000270187340 201236458 /nfs/dbraw/zinc/23/64/58/201236458.db2.gz KKRBQCAJRPOASI-ZDUSSCGKSA-N -1 3 337.832 2.425 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442758981 242106714 /nfs/dbraw/zinc/10/67/14/242106714.db2.gz CGAZDMUXAMHTOW-UHFFFAOYSA-N -1 3 341.314 2.451 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000443226410 268167481 /nfs/dbraw/zinc/16/74/81/268167481.db2.gz NCTKBCWCGJBGHI-UHFFFAOYSA-N -1 3 348.384 2.075 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)s1 ZINC000331235549 268201670 /nfs/dbraw/zinc/20/16/70/268201670.db2.gz KCXUMPBRUKOAPA-AAEUAGOBSA-N -1 3 328.459 2.229 10 30 EEEEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000089783516 462718826 /nfs/dbraw/zinc/71/88/26/462718826.db2.gz MTIYVFGJCXQZLT-SNVBAGLBSA-N -1 3 344.820 2.222 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000065516874 462786840 /nfs/dbraw/zinc/78/68/40/462786840.db2.gz WNDFLPGRYVQLKZ-FUHWJXTLSA-N -1 3 335.407 2.468 10 30 EEEEHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156501202 463031904 /nfs/dbraw/zinc/03/19/04/463031904.db2.gz ZALRKFRGKWHDCS-LBPRGKRZSA-N -1 3 341.864 2.364 10 30 EEEEHM CC#CCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000166258547 463653156 /nfs/dbraw/zinc/65/31/56/463653156.db2.gz YPYAVANRLVNIJT-UHFFFAOYSA-N -1 3 332.219 2.149 10 30 EEEEHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000186424996 463998342 /nfs/dbraw/zinc/99/83/42/463998342.db2.gz QJHGNZIRPQEPPL-SNVBAGLBSA-N -1 3 330.793 2.097 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000186665319 464044897 /nfs/dbraw/zinc/04/48/97/464044897.db2.gz PHCJBDAHPVRJKM-QMMMGPOBSA-N -1 3 340.228 2.217 10 30 EEEEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000176645746 464818402 /nfs/dbraw/zinc/81/84/02/464818402.db2.gz NEBFTSNAEFNDDM-UHFFFAOYSA-N -1 3 339.373 2.108 10 30 EEEEHM COc1cc(C)cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1[O-] ZINC000184279044 464960420 /nfs/dbraw/zinc/96/04/20/464960420.db2.gz XILIARALTGONPE-UHFFFAOYSA-N -1 3 349.350 2.414 10 30 EEEEHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430599350 467449025 /nfs/dbraw/zinc/44/90/25/467449025.db2.gz AKIUKGSIGJKUMC-JTQLQIEISA-N -1 3 330.413 2.368 10 30 EEEEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000420729255 467465429 /nfs/dbraw/zinc/46/54/29/467465429.db2.gz QJVLFBMHZKHQIG-QWRGUYRKSA-N -1 3 328.821 2.448 10 30 EEEEHM CC(C)(CC#N)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000457998599 467748890 /nfs/dbraw/zinc/74/88/90/467748890.db2.gz XGMVILNLDAHAQA-AWEZNQCLSA-N -1 3 329.400 2.053 10 30 EEEEHM C=C[C@@](C)(O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000589399987 468148842 /nfs/dbraw/zinc/14/88/42/468148842.db2.gz KUIDZBINVADOLC-GFCCVEGCSA-N -1 3 347.152 2.262 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)[C@H](C)CO ZINC000594756750 468675178 /nfs/dbraw/zinc/67/51/78/468675178.db2.gz ACHUKHJAXJQKMP-MWLCHTKSSA-N -1 3 338.454 2.377 10 30 EEEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000594789565 468685710 /nfs/dbraw/zinc/68/57/10/468685710.db2.gz NIKVKRWSSGNLMR-STQMWFEESA-N -1 3 338.429 2.281 10 30 EEEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790664 468686022 /nfs/dbraw/zinc/68/60/22/468686022.db2.gz WDSFONDOWJYFPQ-AAEUAGOBSA-N -1 3 325.390 2.403 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2)c1 ZINC000593528073 469017607 /nfs/dbraw/zinc/01/76/07/469017607.db2.gz YVPHFCQKTDIMLJ-UHFFFAOYSA-N -1 3 348.453 2.093 10 30 EEEEHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593574876 469042231 /nfs/dbraw/zinc/04/22/31/469042231.db2.gz ZKNIEPOTLFJQGY-UHFFFAOYSA-N -1 3 344.458 2.410 10 30 EEEEHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593596550 469051932 /nfs/dbraw/zinc/05/19/32/469051932.db2.gz ARLIWNDHUDKAEN-UHFFFAOYSA-N -1 3 336.442 2.126 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000593601837 469054683 /nfs/dbraw/zinc/05/46/83/469054683.db2.gz QTJQBSXLABQQMS-STQMWFEESA-N -1 3 349.437 2.213 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)s1 ZINC000593631436 469069556 /nfs/dbraw/zinc/06/95/56/469069556.db2.gz HGCCRXLUFRAVFE-CQSZACIVSA-N -1 3 326.443 2.103 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000593664661 469083861 /nfs/dbraw/zinc/08/38/61/469083861.db2.gz SAANAGOMFKRICY-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c(F)c1 ZINC000611416407 469245545 /nfs/dbraw/zinc/24/55/45/469245545.db2.gz QGPHOYWESZFYKK-UHFFFAOYSA-N -1 3 325.752 2.224 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C2CCOCC2)C1 ZINC000619729975 469671458 /nfs/dbraw/zinc/67/14/58/469671458.db2.gz DPXZYZYSFZWKIM-UHFFFAOYSA-N -1 3 343.427 2.093 10 30 EEEEHM CC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc(SC2CCCC2)cc1 ZINC000765594372 577503691 /nfs/dbraw/zinc/50/36/91/577503691.db2.gz QLXODZTYKDKHBX-UHFFFAOYSA-N -1 3 330.413 2.047 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)OCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000767695551 577543124 /nfs/dbraw/zinc/54/31/24/577543124.db2.gz CYMYIVMUVZNULI-GFCCVEGCSA-N -1 3 339.413 2.386 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C2=COCCC2)cc1 ZINC000744032942 577892324 /nfs/dbraw/zinc/89/23/24/577892324.db2.gz PFRPPRLZJRWNGO-OAHLLOKOSA-N -1 3 342.351 2.205 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)c1ccc(C#N)s1 ZINC000750394505 577991304 /nfs/dbraw/zinc/99/13/04/577991304.db2.gz GKAQTVCTKJJZRQ-JTQLQIEISA-N -1 3 344.396 2.005 10 30 EEEEHM C#CCCCOc1cccnc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897347355 687264137 /nfs/dbraw/zinc/26/41/37/687264137.db2.gz KXYPEAVFDKKFCR-AWEZNQCLSA-N -1 3 339.399 2.060 10 30 EEEEHM Cc1cnc2nc(C(=O)N([O-])CCCCc3ccccc3)nn2c1 ZINC000904195362 694325646 /nfs/dbraw/zinc/32/56/46/694325646.db2.gz CYOVXTMZNNDKKV-UHFFFAOYSA-N -1 3 325.372 2.287 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000904213680 694334267 /nfs/dbraw/zinc/33/42/67/694334267.db2.gz WYRPWGMEWOGILD-UKRRQHHQSA-N -1 3 336.436 2.126 10 30 EEEEHM C#CCCOc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898220824 691899359 /nfs/dbraw/zinc/89/93/59/691899359.db2.gz CGSDDDNECXNPHV-CQSZACIVSA-N -1 3 325.368 2.147 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC001671287210 1193538001 /nfs/dbraw/zinc/53/80/01/1193538001.db2.gz GMODJOKIXBLYHL-MGCOHNPYSA-N -1 3 339.804 2.347 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)C(=O)OCC ZINC000882645020 1201912825 /nfs/dbraw/zinc/91/28/25/1201912825.db2.gz HURMHLYGACRDPK-MNOVXSKESA-N -1 3 345.383 2.392 10 30 EEEEHM C#CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CCN(C)CC1 ZINC000886581242 1202526972 /nfs/dbraw/zinc/52/69/72/1202526972.db2.gz PENOOTHCBLNWSR-UHFFFAOYSA-N -1 3 329.425 2.286 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001214057210 1296283127 /nfs/dbraw/zinc/28/31/27/1296283127.db2.gz TTYVJXCGPFFKLQ-SUMWQHHRSA-N -1 3 337.441 2.448 10 30 EEEEHM C=C1CC(C)(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1 ZINC001330367425 1334830639 /nfs/dbraw/zinc/83/06/39/1334830639.db2.gz SZSNDOFNMFWHJR-UHFFFAOYSA-N -1 3 326.393 2.170 10 30 EEEEHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(CF)CCC1 ZINC001334856636 1336304391 /nfs/dbraw/zinc/30/43/91/1336304391.db2.gz GYRLMOUDEFRROP-UHFFFAOYSA-N -1 3 334.347 2.030 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001339868743 1337087229 /nfs/dbraw/zinc/08/72/29/1337087229.db2.gz XIMGAOOTLQJELR-RKDXNWHRSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001339868743 1337087230 /nfs/dbraw/zinc/08/72/30/1337087230.db2.gz XIMGAOOTLQJELR-RKDXNWHRSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)nn1 ZINC001616861319 1352332979 /nfs/dbraw/zinc/33/29/79/1352332979.db2.gz FATUEOYWPVXPDK-UHFFFAOYSA-N -1 3 326.385 2.159 10 30 EEEEHM COC(=O)c1cc(NC(=O)c2cc(C#N)ccc2F)c([O-])c(OC)c1 ZINC001603058241 1350628920 /nfs/dbraw/zinc/62/89/20/1350628920.db2.gz CVDDDIQDKJQKAZ-UHFFFAOYSA-N -1 3 344.298 2.450 10 30 EEEEHM CCCCCCN([O-])C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC001654819384 1354158720 /nfs/dbraw/zinc/15/87/20/1354158720.db2.gz ADNQBICBIUSVCG-UHFFFAOYSA-N -1 3 339.436 2.285 10 30 EEEEHM CCN(C(=O)C#CC(C)(C)C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001681682856 1358055045 /nfs/dbraw/zinc/05/50/45/1358055045.db2.gz FTUZWDXHDDYQCY-CQSZACIVSA-N -1 3 330.428 2.409 10 30 EEEEHM CC1(C(=O)C[N-]S(=O)(=O)Cc2csc(C#N)c2)CCCC1 ZINC000918202443 768981422 /nfs/dbraw/zinc/98/14/22/768981422.db2.gz NJRCISVYVIOQMU-UHFFFAOYSA-N -1 3 326.443 2.189 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccccc1 ZINC001212294063 775258535 /nfs/dbraw/zinc/25/85/35/775258535.db2.gz AHYPVZZCYBFDBU-GFCCVEGCSA-N -1 3 335.406 2.188 10 30 EEEEHM C[C@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000816691669 784199233 /nfs/dbraw/zinc/19/92/33/784199233.db2.gz WONSNAKWWANNGH-SKDRFNHKSA-N -1 3 330.306 2.305 10 30 EEEEHM C/C(=C/C(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000820179823 785823676 /nfs/dbraw/zinc/82/36/76/785823676.db2.gz RBRBQPOXGWSGSZ-JLVNDZCYSA-N -1 3 328.290 2.215 10 30 EEEEHM C#CCC[C@H](O)C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463586762 1110377003 /nfs/dbraw/zinc/37/70/03/1110377003.db2.gz AUDOQTJAZHAXKB-VIFPVBQESA-N -1 3 344.845 2.002 10 30 EEEEHM C#Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001463875584 1110382352 /nfs/dbraw/zinc/38/23/52/1110382352.db2.gz HKYUUGKEARBVRH-UHFFFAOYSA-N -1 3 334.328 2.194 10 30 EEEEHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cc(OC)ns1 ZINC001474973704 1110604049 /nfs/dbraw/zinc/60/40/49/1110604049.db2.gz LRTBHMZDYNVALY-UHFFFAOYSA-N -1 3 340.426 2.195 10 30 EEEEHM CC(C)[C@H](CCN(C)C(=O)[C@@H](C)C#N)NC(=O)c1ccccc1[O-] ZINC001509240895 1115770120 /nfs/dbraw/zinc/77/01/20/1115770120.db2.gz XUCGOAWHOIUABI-ZFWWWQNUSA-N -1 3 331.416 2.155 10 30 EEEEHM C=CCOCCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511210170 1118001008 /nfs/dbraw/zinc/00/10/08/1118001008.db2.gz CFASSLCASYHPOO-GJZGRUSLSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCOCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001523299507 1119747059 /nfs/dbraw/zinc/74/70/59/1119747059.db2.gz FHBBOMCPYPARDY-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1C#N ZINC001538166739 1124021218 /nfs/dbraw/zinc/02/12/18/1124021218.db2.gz SZKIBDYUVDTCDQ-UHFFFAOYSA-N -1 3 346.324 2.255 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1C#N ZINC000341419229 295688499 /nfs/dbraw/zinc/68/84/99/295688499.db2.gz JMKNDYFIKYRRLF-ZDUSSCGKSA-N -1 3 346.456 2.081 10 30 EEEEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000420736301 287286198 /nfs/dbraw/zinc/28/61/98/287286198.db2.gz YCUSJGSAPCLINU-QWHCGFSZSA-N -1 3 328.821 2.448 10 30 EEEEHM CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435445536 267283030 /nfs/dbraw/zinc/28/30/30/267283030.db2.gz WVIQDWJTTGGIMI-AWEZNQCLSA-N -1 3 349.481 2.071 10 30 EEEEHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccc21 ZINC000451995777 267337552 /nfs/dbraw/zinc/33/75/52/267337552.db2.gz PCKDMOSCKRIOKV-AWEZNQCLSA-N -1 3 331.397 2.401 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435424581 268067308 /nfs/dbraw/zinc/06/73/08/268067308.db2.gz AOMSBOLKPDNDNI-SNVBAGLBSA-N -1 3 328.440 2.002 10 30 EEEEHM COc1ccccc1-c1nc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)n[n-]1 ZINC000052779012 463105300 /nfs/dbraw/zinc/10/53/00/463105300.db2.gz WCUURKGBTOCIOX-NSHDSACASA-N -1 3 343.387 2.325 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2O)c(Cl)c1 ZINC000183699022 464899470 /nfs/dbraw/zinc/89/94/70/464899470.db2.gz NGJHOTGNICWJLH-ZBFHGGJFSA-N -1 3 348.811 2.148 10 30 EEEEHM N#CCCn1ncc(C(=O)NCc2ncccc2[O-])c1-c1ccccc1 ZINC000352499005 465535725 /nfs/dbraw/zinc/53/57/25/465535725.db2.gz DDBSNSXMJLQLTO-UHFFFAOYSA-N -1 3 347.378 2.494 10 30 EEEEHM C=CCCCNC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000344576541 465689155 /nfs/dbraw/zinc/68/91/55/465689155.db2.gz VDIZZJAPLNLZRS-OAHLLOKOSA-N -1 3 342.436 2.211 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365477062 466831749 /nfs/dbraw/zinc/83/17/49/466831749.db2.gz NURGIEYJNRBQSA-PBHICJAKSA-N -1 3 343.408 2.009 10 30 EEEEHM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000566308587 468149300 /nfs/dbraw/zinc/14/93/00/468149300.db2.gz MVLNMXSRYKFBEZ-UHFFFAOYSA-N -1 3 344.458 2.080 10 30 EEEEHM COC1CC(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000594788616 468684745 /nfs/dbraw/zinc/68/47/45/468684745.db2.gz FUCCMZWSWQGTDO-UHFFFAOYSA-N -1 3 328.821 2.305 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000597922119 468711645 /nfs/dbraw/zinc/71/16/45/468711645.db2.gz HVNFXZZGKHLPSI-LJQANCHMSA-N -1 3 343.427 2.236 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)C(=O)OC ZINC000601500894 468896340 /nfs/dbraw/zinc/89/63/40/468896340.db2.gz DNAQAVLNNRPYPH-VHSXEESVSA-N -1 3 331.356 2.002 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OC ZINC000601503124 468898050 /nfs/dbraw/zinc/89/80/50/468898050.db2.gz XXEDRLDVZXFAQX-HNNXBMFYSA-N -1 3 325.430 2.176 10 30 EEEEHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593558139 469034623 /nfs/dbraw/zinc/03/46/23/469034623.db2.gz SKNJFDYTFLOIAW-CYBMUJFWSA-N -1 3 336.438 2.156 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000593565109 469038274 /nfs/dbraw/zinc/03/82/74/469038274.db2.gz FDXSKOTYFSWKRM-NEPJUHHUSA-N -1 3 328.459 2.229 10 30 EEEEHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593568040 469039550 /nfs/dbraw/zinc/03/95/50/469039550.db2.gz TXHXFFFEPBOIEH-HZMBPMFUSA-N -1 3 342.442 2.020 10 30 EEEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccccc1 ZINC000593572037 469042284 /nfs/dbraw/zinc/04/22/84/469042284.db2.gz ZNQMITGAAIULQC-CZUORRHYSA-N -1 3 347.465 2.343 10 30 EEEEHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593575239 469043780 /nfs/dbraw/zinc/04/37/80/469043780.db2.gz ISYAVJQJHPKCOB-LLVKDONJSA-N -1 3 340.426 2.139 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000593596080 469052303 /nfs/dbraw/zinc/05/23/03/469052303.db2.gz NQYUFGJDAABGIG-XJKSGUPXSA-N -1 3 348.449 2.064 10 30 EEEEHM COC(=O)[C@]1([N-]S(=O)(=O)CC2(CC#N)CC2)CCCC(C)(C)C1 ZINC000599413588 469247501 /nfs/dbraw/zinc/24/75/01/469247501.db2.gz OZHKTDFPOVUYKH-INIZCTEOSA-N -1 3 342.461 2.112 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCC12CC2 ZINC000599521220 469283197 /nfs/dbraw/zinc/28/31/97/469283197.db2.gz SRHQUXXIYGXYCM-LLVKDONJSA-N -1 3 335.385 2.325 10 30 EEEEHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000612675469 469522767 /nfs/dbraw/zinc/52/27/67/469522767.db2.gz ACKVEPAKYVCRFU-GOEBONIOSA-N -1 3 336.457 2.154 10 30 EEEEHM C=CC(C)(C)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000626560063 469647765 /nfs/dbraw/zinc/64/77/65/469647765.db2.gz CZAOFGSEKGVDHL-UHFFFAOYSA-N -1 3 343.424 2.458 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672399829 486115792 /nfs/dbraw/zinc/11/57/92/486115792.db2.gz GKKQGMZVLNDYPI-UHFFFAOYSA-N -1 3 343.298 2.205 10 30 EEEEHM C[C@@H](NCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)c1cccc(C#N)c1 ZINC000775335355 577435227 /nfs/dbraw/zinc/43/52/27/577435227.db2.gz IKZCGXJYZKGTPX-KGLIPLIRSA-N -1 3 337.427 2.437 10 30 EEEEHM CCOCCON=C([O-])Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000775721905 577443787 /nfs/dbraw/zinc/44/37/87/577443787.db2.gz KRXJEMMRYOMWGI-UHFFFAOYSA-N -1 3 349.778 2.487 10 30 EEEEHM CCOCCO[N-]C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000775721905 577443788 /nfs/dbraw/zinc/44/37/88/577443788.db2.gz KRXJEMMRYOMWGI-UHFFFAOYSA-N -1 3 349.778 2.487 10 30 EEEEHM Cn1nc(C2CC2)nc1CC(=O)N([O-])CCCCc1ccccc1 ZINC000904195960 694325425 /nfs/dbraw/zinc/32/54/25/694325425.db2.gz MOCSCIDLRYBBOU-UHFFFAOYSA-N -1 3 328.416 2.476 10 30 EEEEHM O=C(C1CCS(=O)(=O)CC1)N([O-])CCCCc1ccccc1 ZINC000904196724 694325907 /nfs/dbraw/zinc/32/59/07/694325907.db2.gz DMHUMTZVYOJLQO-UHFFFAOYSA-N -1 3 325.430 2.052 10 30 EEEEHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccccc1[O-] ZINC001486529581 1194053591 /nfs/dbraw/zinc/05/35/91/1194053591.db2.gz FUBXGBLXGPWTTL-BJOOFOGMSA-N -1 3 349.390 2.064 10 30 EEEEHM C=CC1(S(=O)(=O)[N-]C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000870837281 1200902376 /nfs/dbraw/zinc/90/23/76/1200902376.db2.gz GAYXNKKAHIMDCI-UHFFFAOYSA-N -1 3 348.468 2.451 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)C(=O)OCC ZINC000867588627 1201639242 /nfs/dbraw/zinc/63/92/42/1201639242.db2.gz GIFFHTXPJCZGFA-SNVBAGLBSA-N -1 3 345.795 2.025 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)C(=O)OC ZINC000867624853 1201646589 /nfs/dbraw/zinc/64/65/89/1201646589.db2.gz SPAPOKLEZLWBIY-CKXPSTMWSA-N -1 3 327.377 2.224 10 30 EEEEHM CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000867758328 1201673866 /nfs/dbraw/zinc/67/38/66/1201673866.db2.gz HBJDZAPHVKJLCE-ZDUSSCGKSA-N -1 3 330.450 2.134 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(=O)OCC ZINC000882645173 1201913037 /nfs/dbraw/zinc/91/30/37/1201913037.db2.gz XNQMRAPLSJJDBJ-AWEZNQCLSA-N -1 3 329.393 2.143 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001265306681 1323056333 /nfs/dbraw/zinc/05/63/33/1323056333.db2.gz VDDPXJRNBYARAT-AWEZNQCLSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCCCC[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001281567551 1325294273 /nfs/dbraw/zinc/29/42/73/1325294273.db2.gz DTCIGKAESIHWEG-ZDUSSCGKSA-N -1 3 348.447 2.189 10 30 EEEEHM C=C(C)CCC(=O)NCCCN(C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001284787331 1326713985 /nfs/dbraw/zinc/71/39/85/1326713985.db2.gz CQQNPIQRYJUXSV-UHFFFAOYSA-N -1 3 348.447 2.204 10 30 EEEEHM C#CCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001285103055 1326866885 /nfs/dbraw/zinc/86/68/85/1326866885.db2.gz HFOLMWXURPRXBX-OAHLLOKOSA-N -1 3 328.412 2.259 10 30 EEEEHM C#CCC1(C(=O)N(C)CCN(C)C(=O)c2ccccc2[O-])CCC1 ZINC001285352431 1326965368 /nfs/dbraw/zinc/96/53/68/1326965368.db2.gz IZKNZDMWPQRVCN-UHFFFAOYSA-N -1 3 328.412 2.116 10 30 EEEEHM C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001285688113 1327109277 /nfs/dbraw/zinc/10/92/77/1327109277.db2.gz WKAJGXLDCLFYFB-CHWSQXEVSA-N -1 3 343.431 2.137 10 30 EEEEHM C#CCCCC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001288196575 1327660234 /nfs/dbraw/zinc/66/02/34/1327660234.db2.gz WVARPIBUDIAJKO-MRXNPFEDSA-N -1 3 330.428 2.456 10 30 EEEEHM CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001291569201 1328305258 /nfs/dbraw/zinc/30/52/58/1328305258.db2.gz KAZYELZGHXYDEC-HZPDHXFCSA-N -1 3 342.439 2.266 10 30 EEEEHM CC(C)C#CC(=O)N[C@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001296643571 1329905822 /nfs/dbraw/zinc/90/58/22/1329905822.db2.gz UQTISAWEBVSNHR-OAHLLOKOSA-N -1 3 342.439 2.409 10 30 EEEEHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OCC ZINC001328749035 1334513602 /nfs/dbraw/zinc/51/36/02/1334513602.db2.gz NBIFMHZNZSMXLJ-SNVBAGLBSA-N -1 3 333.356 2.059 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001335307137 1336362333 /nfs/dbraw/zinc/36/23/33/1336362333.db2.gz HNZQASGZKVMTBM-DZUCGIPZSA-N -1 3 342.439 2.429 10 30 EEEEHM C=CCCCC(=O)NC[C@H](NC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001357122932 1338965337 /nfs/dbraw/zinc/96/53/37/1338965337.db2.gz VTEYOYCNWFBEDM-HNNXBMFYSA-N -1 3 343.431 2.185 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001572415565 1343484516 /nfs/dbraw/zinc/48/45/16/1343484516.db2.gz URAFHEBWSNYBSW-PXNSSMCTSA-N -1 3 340.423 2.449 10 30 EEEEHM CCSc1nc(C)c([C@@H](CC)C(=O)N[C@@H]2CCN([O-])C2=O)s1 ZINC001628370207 1352532390 /nfs/dbraw/zinc/53/23/90/1352532390.db2.gz LELWHKBDFGDBKY-NXEZZACHSA-N -1 3 343.474 2.163 10 30 EEEEHM N#Cc1cc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001640009848 1352704459 /nfs/dbraw/zinc/70/44/59/1352704459.db2.gz SJZZLFWLEZZFKH-UHFFFAOYSA-N -1 3 332.266 2.270 10 30 EEEEHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001664253787 1355123290 /nfs/dbraw/zinc/12/32/90/1355123290.db2.gz KLPUETDDOPVXJX-VIFPVBQESA-N -1 3 344.845 2.002 10 30 EEEEHM C=CCC1(C(=O)N(C)CC(C)(C)CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001674877972 1356906193 /nfs/dbraw/zinc/90/61/93/1356906193.db2.gz VLWHRHJZHYOSBM-UHFFFAOYSA-N -1 3 349.479 2.221 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001681564514 1358031769 /nfs/dbraw/zinc/03/17/69/1358031769.db2.gz KJMSCCCHVIBAHM-RYUDHWBXSA-N -1 3 348.447 2.106 10 30 EEEEHM C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001682138474 1358144663 /nfs/dbraw/zinc/14/46/63/1358144663.db2.gz SPBMZRMACVEUSJ-HZPDHXFCSA-N -1 3 342.439 2.410 10 30 EEEEHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)c1cccc(F)c1Cl ZINC000918144592 768933273 /nfs/dbraw/zinc/93/32/73/768933273.db2.gz PKGJIFLNNSVKKG-UHFFFAOYSA-N -1 3 332.784 2.131 10 30 EEEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000919807619 770314275 /nfs/dbraw/zinc/31/42/75/770314275.db2.gz AKVJLDAOUUUIFE-ZDUSSCGKSA-N -1 3 338.454 2.416 10 30 EEEEHM Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)o2)c(C)c1 ZINC000816691424 784199827 /nfs/dbraw/zinc/19/98/27/784199827.db2.gz RAARHVAINYQAAP-CQSZACIVSA-N -1 3 344.367 2.195 10 30 EEEEHM C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCN([O-])C4=O)cc3c2C1 ZINC000816692945 784200634 /nfs/dbraw/zinc/20/06/34/784200634.db2.gz YUEMLBCASSWONL-MGPLVRAMSA-N -1 3 327.384 2.013 10 30 EEEEHM O=C(CCCc1cccc(C(F)(F)F)c1)N[C@H]1CCN([O-])C1=O ZINC000820178801 785823587 /nfs/dbraw/zinc/82/35/87/785823587.db2.gz BGANRTDLLUECRG-LBPRGKRZSA-N -1 3 330.306 2.134 10 30 EEEEHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820186050 785828109 /nfs/dbraw/zinc/82/81/09/785828109.db2.gz UEADZVWELQXZLC-YPMHNXCESA-N -1 3 344.333 2.380 10 30 EEEEHM C#CCN(C)CCCNC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000909038003 785945302 /nfs/dbraw/zinc/94/53/02/785945302.db2.gz RACDGCDXNQNUAF-IAGOWNOFSA-N -1 3 349.475 2.007 10 30 EEEEHM COc1cccc([C@H](C#N)NC(=O)Cc2ccc([O-])c(F)c2)c1OC ZINC001136685955 787617575 /nfs/dbraw/zinc/61/75/75/787617575.db2.gz NZQPERPNNZENFV-AWEZNQCLSA-N -1 3 344.342 2.472 10 30 EEEEHM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000912260618 788068838 /nfs/dbraw/zinc/06/88/38/788068838.db2.gz RHQURXUMXZLUBB-OAHLLOKOSA-N -1 3 337.379 2.320 10 30 EEEEHM C#CCN1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000923560893 789770990 /nfs/dbraw/zinc/77/09/90/789770990.db2.gz MCJXEEBFVRKFTK-LBPRGKRZSA-N -1 3 326.318 2.238 10 30 EEEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2ccc(C)nc12 ZINC000171036785 791224978 /nfs/dbraw/zinc/22/49/78/791224978.db2.gz CYTKMXCPYHEECT-LBPRGKRZSA-N -1 3 349.350 2.008 10 30 EEEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cccc(C#N)n3)nc21 ZINC001439999774 1093112989 /nfs/dbraw/zinc/11/29/89/1093112989.db2.gz UWXZDIGZTBICDC-UHFFFAOYSA-N -1 3 335.323 2.259 10 30 EEEEHM C=C(CC(C)C)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001521250387 1119229952 /nfs/dbraw/zinc/22/99/52/1119229952.db2.gz WKVKLEPSOZCWSG-UHFFFAOYSA-N -1 3 328.409 2.416 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001532247292 1122697263 /nfs/dbraw/zinc/69/72/63/1122697263.db2.gz NTWACQRDSNLHJW-CHWSQXEVSA-N -1 3 343.431 2.042 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001533050536 1123046005 /nfs/dbraw/zinc/04/60/05/1123046005.db2.gz KTFJKPCUPUHMIG-NVXWUHKLSA-N -1 3 340.423 2.115 10 30 EEEEHM Cc1ccnc2nc(C(=O)[N-]c3nc4c(cc3C#N)C[C@H](C)CC4)nn21 ZINC001540205489 1124077888 /nfs/dbraw/zinc/07/78/88/1124077888.db2.gz FLTINOKVZSAFQC-SNVBAGLBSA-N -1 3 347.382 2.077 10 30 EEEEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCCO)cc1Cl ZINC000052299994 214126323 /nfs/dbraw/zinc/12/63/23/214126323.db2.gz QKTFZBCZTCIVJE-TVQRCGJNSA-N -1 3 348.251 2.414 10 30 EEEEHM O=S(=O)([N-]Cc1ccc(C#CCO)s1)c1ccc(Cl)s1 ZINC000071323337 202343374 /nfs/dbraw/zinc/34/33/74/202343374.db2.gz YQPBKGFWAZBNRC-UHFFFAOYSA-N -1 3 347.870 2.285 10 30 EEEEHM CCC[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCOC1 ZINC000285260575 266083189 /nfs/dbraw/zinc/08/31/89/266083189.db2.gz HVNOGCSDIRTXPK-AWEZNQCLSA-N -1 3 328.821 2.449 10 30 EEEEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000582729993 324515630 /nfs/dbraw/zinc/51/56/30/324515630.db2.gz QJCCNDUOECFCGX-ZWNOBZJWSA-N -1 3 330.837 2.287 10 30 EEEEHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])n1cnc(C#N)n1 ZINC000336914068 465098637 /nfs/dbraw/zinc/09/86/37/465098637.db2.gz KOOWARBKDNRODI-ZETCQYMHSA-N -1 3 325.250 2.074 10 30 EEEEHM CC(C)(C)c1cnc(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)o1 ZINC000075091946 462672712 /nfs/dbraw/zinc/67/27/12/462672712.db2.gz NKATXODRERIVGJ-UHFFFAOYSA-N -1 3 333.413 2.463 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000188619638 464326660 /nfs/dbraw/zinc/32/66/60/464326660.db2.gz CBDZTFXJHOZIDA-HNNXBMFYSA-N -1 3 336.457 2.213 10 30 EEEEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)O1 ZINC000188753343 464360871 /nfs/dbraw/zinc/36/08/71/464360871.db2.gz FENSPKMFQBYCJL-LBPRGKRZSA-N -1 3 328.821 2.448 10 30 EEEEHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000189147359 464444783 /nfs/dbraw/zinc/44/47/83/464444783.db2.gz VXRCGKAAHWTYMV-JTQLQIEISA-N -1 3 335.360 2.140 10 30 EEEEHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)n1 ZINC000331174089 465965919 /nfs/dbraw/zinc/96/59/19/465965919.db2.gz VCWYZXXDSGXWAU-UHFFFAOYSA-N -1 3 336.442 2.240 10 30 EEEEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000420734261 467467985 /nfs/dbraw/zinc/46/79/85/467467985.db2.gz VTZNVCNHAXVPCW-NEPJUHHUSA-N -1 3 328.821 2.448 10 30 EEEEHM Cc1nc([C@](C)([N-]S(=O)(=O)c2cccc(CC#N)c2)C2CC2)no1 ZINC000590092679 468213122 /nfs/dbraw/zinc/21/31/22/468213122.db2.gz VLOZOHBAWBZIPY-MRXNPFEDSA-N -1 3 346.412 2.048 10 30 EEEEHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)C2CC2)n1 ZINC000571113795 468740582 /nfs/dbraw/zinc/74/05/82/468740582.db2.gz UCHQCLJSHSPKHS-AWEZNQCLSA-N -1 3 348.453 2.456 10 30 EEEEHM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000595391584 468836216 /nfs/dbraw/zinc/83/62/16/468836216.db2.gz MRWHDPBKORQBFW-HOCLYGCPSA-N -1 3 336.457 2.154 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OC ZINC000601500605 468896354 /nfs/dbraw/zinc/89/63/54/468896354.db2.gz BOGSVHOLWWJUJT-AWEZNQCLSA-N -1 3 345.848 2.310 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)OC ZINC000601502642 468898333 /nfs/dbraw/zinc/89/83/33/468898333.db2.gz RYUSFXJBFSBQBW-LLVKDONJSA-N -1 3 347.820 2.135 10 30 EEEEHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593525131 469016521 /nfs/dbraw/zinc/01/65/21/469016521.db2.gz JKRXYINPILVAOB-CQSZACIVSA-N -1 3 349.481 2.071 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000593556299 469032432 /nfs/dbraw/zinc/03/24/32/469032432.db2.gz GICCVEZJITVZPY-CYBMUJFWSA-N -1 3 336.438 2.064 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccc3c(c2)OCO3)CC1 ZINC000593566824 469038289 /nfs/dbraw/zinc/03/82/89/469038289.db2.gz NUVODBUGHLLXLN-UHFFFAOYSA-N -1 3 348.405 2.316 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593622979 469063492 /nfs/dbraw/zinc/06/34/92/469063492.db2.gz FWFQDLHWJBZCBE-UHFFFAOYSA-N -1 3 340.401 2.045 10 30 EEEEHM Cc1sc(S(=O)(=O)[N-]CC2(C#N)CCCC2)cc1[N+](=O)[O-] ZINC000593621233 469063603 /nfs/dbraw/zinc/06/36/03/469063603.db2.gz WOZPMROGOMJXKG-UHFFFAOYSA-N -1 3 329.403 2.327 10 30 EEEEHM CCOC(=O)c1ncc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[n-]1 ZINC000586811765 469072501 /nfs/dbraw/zinc/07/25/01/469072501.db2.gz ICFNXPJQXCQOGR-UHFFFAOYSA-N -1 3 342.330 2.267 10 30 EEEEHM CCOC(=O)c1nc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c[n-]1 ZINC000586811765 469072505 /nfs/dbraw/zinc/07/25/05/469072505.db2.gz ICFNXPJQXCQOGR-UHFFFAOYSA-N -1 3 342.330 2.267 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000628314990 470089789 /nfs/dbraw/zinc/08/97/89/470089789.db2.gz VDMWINZNLTYYPZ-SFHVURJKSA-N -1 3 329.400 2.073 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CCCC1 ZINC000657190095 471054754 /nfs/dbraw/zinc/05/47/54/471054754.db2.gz QWGJBSHGYNWDPC-UHFFFAOYSA-N -1 3 340.445 2.457 10 30 EEEEHM C=CC(C)(C)CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000628318738 485711845 /nfs/dbraw/zinc/71/18/45/485711845.db2.gz QWNQIISOTNHBQV-UHFFFAOYSA-N -1 3 342.436 2.213 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCC2)ccc1F ZINC000175079263 526665058 /nfs/dbraw/zinc/66/50/58/526665058.db2.gz YEGMAEICPZLAPJ-UHFFFAOYSA-N -1 3 340.420 2.210 10 30 EEEEHM [O-]c1ccc(C=NNC(=S)NCCc2ccc(Cl)cc2)nc1 ZINC000755576296 577827155 /nfs/dbraw/zinc/82/71/55/577827155.db2.gz KECUQENJYYFGCQ-UHFFFAOYSA-N -1 3 334.832 2.481 10 30 EEEEHM COc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000756234630 577840729 /nfs/dbraw/zinc/84/07/29/577840729.db2.gz MZWPZQUJVFGOMA-ZDUSSCGKSA-N -1 3 339.351 2.368 10 30 EEEEHM Cc1nc([N-]C(=O)c2ncoc2C(C)C)n(-c2ccc(C#N)cc2)n1 ZINC000741945819 578126071 /nfs/dbraw/zinc/12/60/71/578126071.db2.gz LAPUMQOPZXVSQZ-UHFFFAOYSA-N -1 3 336.355 2.233 10 30 EEEEHM O=C([C@@H]1CCCC12CC2)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185376 694314890 /nfs/dbraw/zinc/31/48/90/694314890.db2.gz ACTQHQKVBLEZJR-HNNXBMFYSA-N -1 3 342.395 2.471 10 30 EEEEHM C=C1CCN(C(=O)N[C@@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)CC1 ZINC000897603168 691672976 /nfs/dbraw/zinc/67/29/76/691672976.db2.gz MYLYEIHOTJYTFV-CQSZACIVSA-N -1 3 345.447 2.246 10 30 EEEEHM C#C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000813141935 1201113161 /nfs/dbraw/zinc/11/31/61/1201113161.db2.gz ARPJTJNVMHPOIZ-JTQLQIEISA-N -1 3 341.268 2.136 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OC ZINC000867624213 1201646580 /nfs/dbraw/zinc/64/65/80/1201646580.db2.gz MPKBTEVAPJFXRJ-OAHLLOKOSA-N -1 3 325.430 2.231 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)OCC ZINC000885354014 1202407681 /nfs/dbraw/zinc/40/76/81/1202407681.db2.gz MWJXDSVWIBCPKY-NSHDSACASA-N -1 3 346.836 2.220 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(CF)CCOCC1 ZINC001412119098 1205650996 /nfs/dbraw/zinc/65/09/96/1205650996.db2.gz IIEORJKHORKWTO-UHFFFAOYSA-N -1 3 349.406 2.091 10 30 EEEEHM C=CCC1(C(=O)N[C@@H]2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001278619683 1317391797 /nfs/dbraw/zinc/39/17/97/1317391797.db2.gz YZVWOBRCHRNRKS-UONOGXRCSA-N -1 3 347.463 2.021 10 30 EEEEHM C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001283682318 1326199448 /nfs/dbraw/zinc/19/94/48/1326199448.db2.gz IXDNUAUSFSURSP-DZGCQCFKSA-N -1 3 346.431 2.038 10 30 EEEEHM C#CCCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298114735 1330036848 /nfs/dbraw/zinc/03/68/48/1330036848.db2.gz ZAJAPGDYZLHCKY-HOCLYGCPSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCSC(C)(C)C1 ZINC001339091512 1336957782 /nfs/dbraw/zinc/95/77/82/1336957782.db2.gz VVQVASMXQBALLO-UHFFFAOYSA-N -1 3 339.856 2.234 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCSC(C)(C)C1 ZINC001339091512 1336957785 /nfs/dbraw/zinc/95/77/85/1336957785.db2.gz VVQVASMXQBALLO-UHFFFAOYSA-N -1 3 339.856 2.234 10 30 EEEEHM C=CCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000848293355 1338646875 /nfs/dbraw/zinc/64/68/75/1338646875.db2.gz ICHCNYXFBQNTMR-UHFFFAOYSA-N -1 3 328.409 2.210 10 30 EEEEHM C#Cc1ccc(C(=O)NC/C=C/CNC(=O)c2ccccc2[O-])cc1 ZINC001357592842 1339004622 /nfs/dbraw/zinc/00/46/22/1339004622.db2.gz RSEJJKCQSUWHNF-AATRIKPKSA-N -1 3 334.375 2.090 10 30 EEEEHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001597114798 1349918455 /nfs/dbraw/zinc/91/84/55/1349918455.db2.gz FHSRFZWMHKZSAG-TWGQIWQCSA-N -1 3 337.314 2.227 10 30 EEEEHM CC1CCN(c2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)CC1 ZINC001625082835 1352439822 /nfs/dbraw/zinc/43/98/22/1352439822.db2.gz USEDYMBRZAZZKO-MRXNPFEDSA-N -1 3 331.416 2.033 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001666763212 1355586699 /nfs/dbraw/zinc/58/66/99/1355586699.db2.gz YENQBHJYXJLXEB-DYVFJYSZSA-N -1 3 337.441 2.448 10 30 EEEEHM C=CCC(C)(C)C(=O)NCc1nc(CNC(=O)CC(C)C)cc(=O)[n-]1 ZINC001684816475 1358281826 /nfs/dbraw/zinc/28/18/26/1358281826.db2.gz XDHUXERVGYHMIK-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM C=C(C)[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1)OCC ZINC001687906109 1358665420 /nfs/dbraw/zinc/66/54/20/1358665420.db2.gz RYPXCBRRQARPCV-PBHICJAKSA-N -1 3 346.427 2.094 10 30 EEEEHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816760026 784247182 /nfs/dbraw/zinc/24/71/82/784247182.db2.gz ZXUQRXSWHQURLI-CZUORRHYSA-N -1 3 332.400 2.002 10 30 EEEEHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820179693 785824271 /nfs/dbraw/zinc/82/42/71/785824271.db2.gz OKBWDPFCMKAUKT-HNNXBMFYSA-N -1 3 327.384 2.122 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)c(C#N)c1 ZINC000921852751 797500652 /nfs/dbraw/zinc/50/06/52/797500652.db2.gz BKLKBYWOXZRMNW-MFKMUULPSA-N -1 3 348.346 2.112 10 30 EEEEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(O)CCCCc1ccccc1 ZINC001458006983 1109821633 /nfs/dbraw/zinc/82/16/33/1109821633.db2.gz DANXFBSHLDFHTB-UHFFFAOYSA-N -1 3 338.363 2.425 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001508558638 1115558529 /nfs/dbraw/zinc/55/85/29/1115558529.db2.gz AWWIGASNXADDBX-VXGBXAGGSA-N -1 3 343.431 2.183 10 30 EEEEHM C#Cc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1 ZINC001514723524 1118849158 /nfs/dbraw/zinc/84/91/58/1118849158.db2.gz DEGDKUPNISUDJO-UHFFFAOYSA-N -1 3 335.363 2.328 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nnc(-c3ccc(OC)cc3)s2)nn1 ZINC001520549146 1119174145 /nfs/dbraw/zinc/17/41/45/1119174145.db2.gz XTRTZKZTNZPHRK-UHFFFAOYSA-N -1 3 342.384 2.244 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(CC)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001523930361 1119926737 /nfs/dbraw/zinc/92/67/37/1119926737.db2.gz WFEUVGHXUZGVEC-UHFFFAOYSA-N -1 3 348.447 2.061 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001532473659 1122760225 /nfs/dbraw/zinc/76/02/25/1122760225.db2.gz AURVEHGCGCLCPG-ZDUSSCGKSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCC(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001532474798 1122760722 /nfs/dbraw/zinc/76/07/22/1122760722.db2.gz GMXWCKJZDLMQQN-ZDUSSCGKSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCN[C@@H](C(=O)[O-])c1cc(Br)c2c(c1)OCCO2 ZINC000051960463 214110225 /nfs/dbraw/zinc/11/02/25/214110225.db2.gz MHWNTKVMARJRFP-LLVKDONJSA-N -1 3 328.162 2.122 10 30 EEEEHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183502053 235113287 /nfs/dbraw/zinc/11/32/87/235113287.db2.gz NJEKUEGIAVXUAD-LBPRGKRZSA-N -1 3 341.864 2.364 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)s1 ZINC000563846790 319047653 /nfs/dbraw/zinc/04/76/53/319047653.db2.gz XMMFAWZCITZQLH-JTQLQIEISA-N -1 3 328.484 2.431 10 30 EEEEHM CCOC(=O)c1cc(NC(=O)[N-]c2snc(C)c2C#N)cn1C ZINC000297521687 465260152 /nfs/dbraw/zinc/26/01/52/465260152.db2.gz WVNCUAVBYJGJPP-UHFFFAOYSA-N -1 3 333.373 2.482 10 30 EEEEHM Cc1[nH]nc2ncc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cc12 ZINC000095988780 463130703 /nfs/dbraw/zinc/13/07/03/463130703.db2.gz PYOUVKDAWNKCKW-UHFFFAOYSA-N -1 3 327.369 2.080 10 30 EEEEHM CC(=O)Nc1nc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)cs1 ZINC000122062372 463234656 /nfs/dbraw/zinc/23/46/56/463234656.db2.gz JBAXPSTZTKTLNS-UHFFFAOYSA-N -1 3 341.396 2.499 10 30 EEEEHM COCCC1(C)CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000356557585 465456634 /nfs/dbraw/zinc/45/66/34/465456634.db2.gz HHLHEMQPBJFFJO-UHFFFAOYSA-N -1 3 331.416 2.093 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)CCCC1 ZINC000594473104 468598815 /nfs/dbraw/zinc/59/88/15/468598815.db2.gz KTEFHSWVUZKBGG-HUUCEWRRSA-N -1 3 326.462 2.337 10 30 EEEEHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435444976 467470046 /nfs/dbraw/zinc/47/00/46/467470046.db2.gz BURORHKQVOFJSQ-RYUDHWBXSA-N -1 3 327.475 2.161 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000528553743 467701817 /nfs/dbraw/zinc/70/18/17/467701817.db2.gz PDGORWJFHBSMQA-RZGXBDKHSA-N -1 3 328.821 2.302 10 30 EEEEHM CCNc1ccc(C#N)cc1[N-]C(=O)c1cc(C(=O)OCC)no1 ZINC000450158774 467789038 /nfs/dbraw/zinc/78/90/38/467789038.db2.gz RALIDGWAEWXSLK-UHFFFAOYSA-N -1 3 328.328 2.407 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594768722 468679133 /nfs/dbraw/zinc/67/91/33/468679133.db2.gz OHBHVQSOTCFLIY-LBPRGKRZSA-N -1 3 336.438 2.297 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601411602 468862902 /nfs/dbraw/zinc/86/29/02/468862902.db2.gz XUUWTTWGHQOTCQ-JQWIXIFHSA-N -1 3 346.430 2.224 10 30 EEEEHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000601430478 468869968 /nfs/dbraw/zinc/86/99/68/468869968.db2.gz UFESAOZWWSHWAD-UHFFFAOYSA-N -1 3 344.383 2.050 10 30 EEEEHM C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593536094 469022931 /nfs/dbraw/zinc/02/29/31/469022931.db2.gz KMQLTVVBPHNQPA-LBPRGKRZSA-N -1 3 347.465 2.349 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000593564519 469038519 /nfs/dbraw/zinc/03/85/19/469038519.db2.gz TYYSZTNMNTUYNT-NSHDSACASA-N -1 3 326.443 2.390 10 30 EEEEHM COC(=O)C1(CS(=O)(=O)[N-]CC2(C#N)CCCC2)CCCCC1 ZINC000593624811 469064200 /nfs/dbraw/zinc/06/42/00/469064200.db2.gz XZKFFFWGMBBDNK-UHFFFAOYSA-N -1 3 342.461 2.113 10 30 EEEEHM COc1ccc(CNC(=S)NN=Cc2nc(C)ccc2[O-])cc1 ZINC000728779971 576526373 /nfs/dbraw/zinc/52/63/73/576526373.db2.gz RXHMBFWMISDCGH-UHFFFAOYSA-N -1 3 330.413 2.102 10 30 EEEEHM C#CCCCCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001746788172 1178776689 /nfs/dbraw/zinc/77/66/89/1178776689.db2.gz YBPJHHZRQVAHDN-INIZCTEOSA-N -1 3 330.428 2.456 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001649061608 1193501665 /nfs/dbraw/zinc/50/16/65/1193501665.db2.gz SQJXDMUAUMPQII-JTQLQIEISA-N -1 3 341.389 2.279 10 30 EEEEHM C=CCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001746922166 1190870488 /nfs/dbraw/zinc/87/04/88/1190870488.db2.gz DKDZUYIJVLVFPQ-GDBMZVCRSA-N -1 3 328.412 2.421 10 30 EEEEHM CN(CC#Cc1ccccc1)CCCN(C)C(=O)c1ncccc1[O-] ZINC001484739128 1191492989 /nfs/dbraw/zinc/49/29/89/1191492989.db2.gz VWDNOVXCWBTEEJ-UHFFFAOYSA-N -1 3 337.423 2.233 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)C(=O)OC ZINC000867624855 1201646561 /nfs/dbraw/zinc/64/65/61/1201646561.db2.gz SPAPOKLEZLWBIY-QIAWRQBBSA-N -1 3 327.377 2.224 10 30 EEEEHM CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000867758326 1201673862 /nfs/dbraw/zinc/67/38/62/1201673862.db2.gz HBJDZAPHVKJLCE-CYBMUJFWSA-N -1 3 330.450 2.134 10 30 EEEEHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)cc(C#N)c2)o1 ZINC000867299772 1285483229 /nfs/dbraw/zinc/48/32/29/1285483229.db2.gz DNPLYHQJSSEGJX-UHFFFAOYSA-N -1 3 337.376 2.425 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@H](Cc1cc2ccccc2o1)C(=O)OC ZINC000885766018 1294418332 /nfs/dbraw/zinc/41/83/32/1294418332.db2.gz KMSFDXRWQAFFQV-CQSZACIVSA-N -1 3 337.397 2.012 10 30 EEEEHM CCCN(CC(F)(F)F)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000859641514 1294565413 /nfs/dbraw/zinc/56/54/13/1294565413.db2.gz JBUNPPLSFKNQRO-UHFFFAOYSA-N -1 3 344.289 2.222 10 30 EEEEHM COCCC1N=NC(=S)N1N=Cc1c([O-])cc(C)cc1Cl ZINC000841628175 1315589338 /nfs/dbraw/zinc/58/93/38/1315589338.db2.gz OTLUBJHBUHEASE-UHFFFAOYSA-N -1 3 326.809 2.305 10 30 EEEEHM N#C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCOC1 ZINC001261847133 1322185369 /nfs/dbraw/zinc/18/53/69/1322185369.db2.gz KLTGHOYBLDFBKW-CYBMUJFWSA-N -1 3 325.162 2.414 10 30 EEEEHM C=CCCNCc1nc2c(s1)CCN(C(=O)c1ncccc1[O-])C2 ZINC001264189681 1322656635 /nfs/dbraw/zinc/65/66/35/1322656635.db2.gz GJVQULJQSSHNIN-UHFFFAOYSA-N -1 3 344.440 2.108 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001285058094 1326848918 /nfs/dbraw/zinc/84/89/18/1326848918.db2.gz OCITWYUNRGYULG-LBPRGKRZSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCC1(C(=O)NCCC[C@H](C)NC(=O)c2cn[n-]n2)CCCCC1 ZINC001287257657 1327455199 /nfs/dbraw/zinc/45/51/99/1327455199.db2.gz NRLSMWOETAZXBZ-AWEZNQCLSA-N -1 3 347.463 2.346 10 30 EEEEHM C=CCC1(C(=O)NC[C@@H](NC(=O)c2cn[n-]n2)C(C)(C)C)CCCC1 ZINC001288220349 1327674324 /nfs/dbraw/zinc/67/43/24/1327674324.db2.gz ASAQTSMZCDURDV-CQSZACIVSA-N -1 3 347.463 2.202 10 30 EEEEHM C=CC(C)(C)C(=O)NCCCN(C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001296718291 1329914607 /nfs/dbraw/zinc/91/46/07/1329914607.db2.gz DBAIBDHWGWNRSW-UHFFFAOYSA-N -1 3 348.447 2.060 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(=C)C)C(=O)OCC)c1 ZINC001303112410 1331346104 /nfs/dbraw/zinc/34/61/04/1331346104.db2.gz VIQWCKLFTYPKSU-CQSZACIVSA-N -1 3 346.383 2.144 10 30 EEEEHM C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001337900822 1336750825 /nfs/dbraw/zinc/75/08/25/1336750825.db2.gz ZXYVGCHISOYVSG-GOEBONIOSA-N -1 3 346.427 2.094 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000848138587 1338529488 /nfs/dbraw/zinc/52/94/88/1338529488.db2.gz NZMIXZPZPYTBFY-JTQLQIEISA-N -1 3 325.727 2.070 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)C[C@]12CCC[C@H]1OCC2 ZINC001356006448 1338781505 /nfs/dbraw/zinc/78/15/05/1338781505.db2.gz BPCKYOFMUUHYRP-CXAGYDPISA-N -1 3 345.403 2.220 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N(CCC)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001356522788 1338828517 /nfs/dbraw/zinc/82/85/17/1338828517.db2.gz IHMUGTXFOLLBRX-ZDUSSCGKSA-N -1 3 348.447 2.061 10 30 EEEEHM C=CCC1(C(=O)NC[C@@H]2CCN2C(=O)c2ccccc2[O-])CCC1 ZINC001584824150 1348765570 /nfs/dbraw/zinc/76/55/70/1348765570.db2.gz KTZZYYWNPCDVOC-AWEZNQCLSA-N -1 3 328.412 2.469 10 30 EEEEHM C=C(C)[C@H](CC(=O)NC[C@@H](C)N(C)C(=O)c1ccccc1[O-])OCC ZINC001678195851 1357481543 /nfs/dbraw/zinc/48/15/43/1357481543.db2.gz DJFWCXBHIIOBLL-PBHICJAKSA-N -1 3 348.443 2.340 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](CNC(=O)c1c(C)nc[n-]c1=O)C(C)(C)C ZINC001681032211 1357944608 /nfs/dbraw/zinc/94/46/08/1357944608.db2.gz PPZSJHFMOSWHNL-CYBMUJFWSA-N -1 3 348.447 2.108 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCCCN(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001687772192 1358613368 /nfs/dbraw/zinc/61/33/68/1358613368.db2.gz MHPQUXVKSYPEIT-SFHVURJKSA-N -1 3 348.447 2.061 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000819892837 785701735 /nfs/dbraw/zinc/70/17/35/785701735.db2.gz KCJRPUNLNZMYDM-IUCAKERBSA-N -1 3 337.228 2.258 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC001450266385 1105337584 /nfs/dbraw/zinc/33/75/84/1105337584.db2.gz FVRQEEIPLJFRCS-OAHLLOKOSA-N -1 3 345.330 2.123 10 30 EEEEHM C=CCCCC(=O)N(C)C1CCC(NC(=O)c2cnc[n-]c2=O)CC1 ZINC001508626365 1115588622 /nfs/dbraw/zinc/58/86/22/1115588622.db2.gz NNJZBJQPEKSIRV-UHFFFAOYSA-N -1 3 346.431 2.038 10 30 EEEEHM C=CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001512225998 1118461528 /nfs/dbraw/zinc/46/15/28/1118461528.db2.gz CTICMJOBVJFDOD-VXGBXAGGSA-N -1 3 346.431 2.039 10 30 EEEEHM CCc1cc(=O)[n-]c(CNC2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528778708 267246586 /nfs/dbraw/zinc/24/65/86/267246586.db2.gz LZPPFIGCSNFLDS-UHFFFAOYSA-N -1 3 338.411 2.412 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000416647359 268159656 /nfs/dbraw/zinc/15/96/56/268159656.db2.gz WEODKRUKKKDFCY-MNOVXSKESA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(CCO)CCCC1 ZINC000286185047 464831244 /nfs/dbraw/zinc/83/12/44/464831244.db2.gz VNKQGKWZPXOWTE-UHFFFAOYSA-N -1 3 331.416 2.020 10 30 EEEEHM N#Cc1cc(S(=O)(=O)[N-]CCOC(F)(F)F)ccc1Cl ZINC000353794185 466153164 /nfs/dbraw/zinc/15/31/64/466153164.db2.gz YHCIEIMIELZNRA-UHFFFAOYSA-N -1 3 328.699 2.026 10 30 EEEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000373820740 466931515 /nfs/dbraw/zinc/93/15/15/466931515.db2.gz YTHHNSSLJZONBP-GDBMZVCRSA-N -1 3 347.465 2.343 10 30 EEEEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594789963 468685880 /nfs/dbraw/zinc/68/58/80/468685880.db2.gz OJHWAILNBDQJJI-GFCCVEGCSA-N -1 3 341.864 2.363 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)CCCC1 ZINC000601512877 468901704 /nfs/dbraw/zinc/90/17/04/468901704.db2.gz DVSURGYHGCHYCG-LSDHHAIUSA-N -1 3 326.462 2.337 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)cn1 ZINC000598628992 468937820 /nfs/dbraw/zinc/93/78/20/468937820.db2.gz WVADIGUPQDUVCX-ZDUSSCGKSA-N -1 3 329.372 2.446 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000599484736 469273617 /nfs/dbraw/zinc/27/36/17/469273617.db2.gz ZBFVKFOOQRPAAO-WCQYABFASA-N -1 3 326.805 2.057 10 30 EEEEHM C[C@]1(C#N)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000612365231 469447123 /nfs/dbraw/zinc/44/71/23/469447123.db2.gz GWTOKBHUBOCTHZ-DNVCBOLYSA-N -1 3 341.411 2.149 10 30 EEEEHM C=CC[C@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000626560430 469647705 /nfs/dbraw/zinc/64/77/05/469647705.db2.gz SPLWAZTZAVQBAW-NSHDSACASA-N -1 3 341.408 2.164 10 30 EEEEHM N#CC1(C[C@@H](O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000625231078 470099483 /nfs/dbraw/zinc/09/94/83/470099483.db2.gz FUFKZBRWAPXYJI-QGZVFWFLSA-N -1 3 328.412 2.342 10 30 EEEEHM C=CCOc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110788066 526926005 /nfs/dbraw/zinc/92/60/05/526926005.db2.gz KDDLDKONZLBALB-UHFFFAOYSA-N -1 3 335.367 2.362 10 30 EEEEHM C=CCOc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110788066 526926011 /nfs/dbraw/zinc/92/60/11/526926011.db2.gz KDDLDKONZLBALB-UHFFFAOYSA-N -1 3 335.367 2.362 10 30 EEEEHM Cc1cc(Cl)cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)c1[O-] ZINC000774587543 577405398 /nfs/dbraw/zinc/40/53/98/577405398.db2.gz MVRSHVXPTVXCIZ-UHFFFAOYSA-N -1 3 332.751 2.182 10 30 EEEEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928805739 687385354 /nfs/dbraw/zinc/38/53/54/687385354.db2.gz JIGFEDOJGIYCQM-QMMMGPOBSA-N -1 3 330.310 2.363 10 30 EEEEHM O=C(C[C@@H]1CCCS1(=O)=O)N([O-])CCCCc1ccccc1 ZINC000904196270 694326111 /nfs/dbraw/zinc/32/61/11/694326111.db2.gz RZKWINGJIGZELL-HNNXBMFYSA-N -1 3 325.430 2.194 10 30 EEEEHM C=C1CCC(C(=O)NCC2(NC(=O)c3cn[n-]n3)CCCCC2)CC1 ZINC001487085910 1197194027 /nfs/dbraw/zinc/19/40/27/1197194027.db2.gz GVRVJTNZIQOIFS-UHFFFAOYSA-N -1 3 345.447 2.100 10 30 EEEEHM Cc1ncsc1-c1nc(COC(=O)c2cc([O-])cc(C#N)c2)no1 ZINC000811184027 1199915125 /nfs/dbraw/zinc/91/51/25/1199915125.db2.gz FVHWYPOHGWOETR-UHFFFAOYSA-N -1 3 342.336 2.436 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)OCC ZINC000885354013 1202407815 /nfs/dbraw/zinc/40/78/15/1202407815.db2.gz MWJXDSVWIBCPKY-LLVKDONJSA-N -1 3 346.836 2.220 10 30 EEEEHM Cc1cc(=O)[n-]c(N2CCN(Cc3cc(Cl)cc(C#N)c3)CC2)n1 ZINC000931746234 1207455151 /nfs/dbraw/zinc/45/51/51/1207455151.db2.gz BUYICGAJBKCVIY-UHFFFAOYSA-N -1 3 343.818 2.338 10 30 EEEEHM N#CC[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCC2)C(F)(F)F ZINC000901773381 1236301811 /nfs/dbraw/zinc/30/18/11/1236301811.db2.gz YBCDNODZBGZVHX-LLVKDONJSA-N -1 3 334.319 2.134 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCOCC1 ZINC000851828603 1291868254 /nfs/dbraw/zinc/86/82/54/1291868254.db2.gz CGGUPSVYLPCWGN-CYBMUJFWSA-N -1 3 331.796 2.186 10 30 EEEEHM C=C[C@H](CC)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001280688174 1324412170 /nfs/dbraw/zinc/41/21/70/1324412170.db2.gz HVISHJOACUAMQH-DZUCGIPZSA-N -1 3 342.439 2.429 10 30 EEEEHM C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001283263144 1325978131 /nfs/dbraw/zinc/97/81/31/1325978131.db2.gz YNJFQWKZDIBPOM-SNVBAGLBSA-N -1 3 338.795 2.169 10 30 EEEEHM C=CCC1(C(=O)NC[C@H](NC(=O)c2cn[n-]n2)C(C)(C)C)CCCC1 ZINC001288220347 1327674066 /nfs/dbraw/zinc/67/40/66/1327674066.db2.gz ASAQTSMZCDURDV-AWEZNQCLSA-N -1 3 347.463 2.202 10 30 EEEEHM C=CCCOCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001339655886 1337045464 /nfs/dbraw/zinc/04/54/64/1337045464.db2.gz SGFOKHUJZLYAFH-LSDHHAIUSA-N -1 3 346.427 2.094 10 30 EEEEHM C#CCN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1Cc1ccccc1 ZINC001357911907 1339020824 /nfs/dbraw/zinc/02/08/24/1339020824.db2.gz ZEKMAMAQJWOTNB-UHFFFAOYSA-N -1 3 341.806 2.224 10 30 EEEEHM C#CCN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1Cc1ccccc1 ZINC001357911907 1339020827 /nfs/dbraw/zinc/02/08/27/1339020827.db2.gz ZEKMAMAQJWOTNB-UHFFFAOYSA-N -1 3 341.806 2.224 10 30 EEEEHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC001559034608 1342496185 /nfs/dbraw/zinc/49/61/85/1342496185.db2.gz IBHBZBIMTBBHGQ-GUYCJALGSA-N -1 3 339.436 2.285 10 30 EEEEHM O=C(/C=C\c1ccc(F)c2ccccc12)N[C@H]1CCCN([O-])C1=O ZINC001569676777 1342922680 /nfs/dbraw/zinc/92/26/80/1342922680.db2.gz YKWUARBYLVMNJO-YHWKNFMLSA-N -1 3 328.343 2.489 10 30 EEEEHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001664253786 1355123508 /nfs/dbraw/zinc/12/35/08/1355123508.db2.gz KLPUETDDOPVXJX-SECBINFHSA-N -1 3 344.845 2.002 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)nc1 ZINC000780886608 761065040 /nfs/dbraw/zinc/06/50/40/761065040.db2.gz IGKIVAPMQREHQZ-UHFFFAOYSA-N -1 3 325.752 2.224 10 30 EEEEHM C=C(CO)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001135435701 783764644 /nfs/dbraw/zinc/76/46/44/783764644.db2.gz PYKVUODPPQZADR-UHFFFAOYSA-N -1 3 346.408 2.283 10 30 EEEEHM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)o1 ZINC001448795057 1093872720 /nfs/dbraw/zinc/87/27/20/1093872720.db2.gz LARGAEJJWLNZBJ-UHFFFAOYSA-N -1 3 334.278 2.346 10 30 EEEEHM C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455667100 1108791512 /nfs/dbraw/zinc/79/15/12/1108791512.db2.gz UBIHMMUILDXCET-NSHDSACASA-N -1 3 338.367 2.015 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001500238107 1112695926 /nfs/dbraw/zinc/69/59/26/1112695926.db2.gz PRKCQYABEHWZIJ-GFCCVEGCSA-N -1 3 343.431 2.042 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001520596843 1119179297 /nfs/dbraw/zinc/17/92/97/1119179297.db2.gz SRSZXIWQJDFKJL-DTORHVGOSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001520596843 1119179298 /nfs/dbraw/zinc/17/92/98/1119179298.db2.gz SRSZXIWQJDFKJL-DTORHVGOSA-N -1 3 339.856 2.233 10 30 EEEEHM CC(C)(C)C#CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001533075874 1123063445 /nfs/dbraw/zinc/06/34/45/1123063445.db2.gz RTDYDMSHGWOLQY-ZBFHGGJFSA-N -1 3 342.439 2.456 10 30 EEEEHM N#Cc1n[nH]cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001533699102 1123247571 /nfs/dbraw/zinc/24/75/71/1123247571.db2.gz QFUXPMGLLBTYHV-UHFFFAOYSA-N -1 3 342.134 2.266 10 30 EEEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)n3C)nc21 ZINC001539388515 1124055277 /nfs/dbraw/zinc/05/52/77/1124055277.db2.gz CTZHMOZUCSAWJK-UHFFFAOYSA-N -1 3 337.339 2.202 10 30 EEEEHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000451817664 243279614 /nfs/dbraw/zinc/27/96/14/243279614.db2.gz MDPFHLHZXABLMT-DOMZBBRYSA-N -1 3 340.420 2.427 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)c(F)c1 ZINC000125691990 292299232 /nfs/dbraw/zinc/29/92/32/292299232.db2.gz CCZCPDIKYNIGIM-UHFFFAOYSA-N -1 3 348.403 2.487 10 30 EEEEHM COc1cc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)ccc1C#N ZINC000358976635 164027632 /nfs/dbraw/zinc/02/76/32/164027632.db2.gz VCAZXRKUYFHWQE-UHFFFAOYSA-N -1 3 342.351 2.220 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccn1CC(C)C ZINC000064661872 441388814 /nfs/dbraw/zinc/38/88/14/441388814.db2.gz SPYIPPOTZKXNCQ-UHFFFAOYSA-N -1 3 341.415 2.287 10 30 EEEEHM C=CC[C@@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000172323135 464053058 /nfs/dbraw/zinc/05/30/58/464053058.db2.gz WJKZFAFSJXTHLJ-GFCCVEGCSA-N -1 3 326.400 2.154 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000293655961 464415454 /nfs/dbraw/zinc/41/54/54/464415454.db2.gz VJOCPWDLHGAIBG-VIFPVBQESA-N -1 3 340.334 2.270 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000353159542 465682854 /nfs/dbraw/zinc/68/28/54/465682854.db2.gz ZFJACHYTQGLHBU-CQSZACIVSA-N -1 3 345.848 2.310 10 30 EEEEHM Cc1[nH]nc(NC(=O)Cc2ccc(Br)cc2[O-])c1C#N ZINC000357263740 465897278 /nfs/dbraw/zinc/89/72/78/465897278.db2.gz ULHYPXUFFOBWAK-UHFFFAOYSA-N -1 3 335.161 2.239 10 30 EEEEHM CO[C@@H](C)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000353891685 466237974 /nfs/dbraw/zinc/23/79/74/466237974.db2.gz DYRBJHRZBBBKQL-LBPRGKRZSA-N -1 3 333.432 2.480 10 30 EEEEHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000349991313 466342074 /nfs/dbraw/zinc/34/20/74/466342074.db2.gz LIGDSEOYMSTZND-GHMZBOCLSA-N -1 3 348.346 2.423 10 30 EEEEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416468875 466735400 /nfs/dbraw/zinc/73/54/00/466735400.db2.gz BXIAKDVCOIGEJE-DTWKUNHWSA-N -1 3 347.234 2.022 10 30 EEEEHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(C#N)s2)n1 ZINC000435431667 467468151 /nfs/dbraw/zinc/46/81/51/467468151.db2.gz JVTNUDBKRWOAGT-UHFFFAOYSA-N -1 3 340.430 2.037 10 30 EEEEHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489599798 468153153 /nfs/dbraw/zinc/15/31/53/468153153.db2.gz CUGCGUYUIAYBHV-LLVKDONJSA-N -1 3 349.387 2.449 10 30 EEEEHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)o1)c1cc(C(F)(F)F)on1 ZINC000490480895 468215837 /nfs/dbraw/zinc/21/58/37/468215837.db2.gz ZKBWLVXIDZZQHN-UHFFFAOYSA-N -1 3 349.290 2.372 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594484858 468604471 /nfs/dbraw/zinc/60/44/71/468604471.db2.gz NDDDLJYEAFAQHG-RISCZKNCSA-N -1 3 326.443 2.246 10 30 EEEEHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601411605 468863147 /nfs/dbraw/zinc/86/31/47/468863147.db2.gz XUUWTTWGHQOTCQ-ZYHUDNBSSA-N -1 3 346.430 2.224 10 30 EEEEHM Cc1cc(=O)[n-]c(C(C)(C)NCc2c(C#N)cccc2[N+](=O)[O-])n1 ZINC000595529519 468889113 /nfs/dbraw/zinc/88/91/13/468889113.db2.gz YNMKEKCHVYLJBD-UHFFFAOYSA-N -1 3 327.344 2.295 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000593573300 469042434 /nfs/dbraw/zinc/04/24/34/469042434.db2.gz XLDNXRGYTQSCAS-UHFFFAOYSA-N -1 3 330.378 2.194 10 30 EEEEHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccsc2C#N)C[C@H](C)O1 ZINC000593593171 469050677 /nfs/dbraw/zinc/05/06/77/469050677.db2.gz REOJXDMVNFERKK-QWRGUYRKSA-N -1 3 328.459 2.492 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000593601666 469054644 /nfs/dbraw/zinc/05/46/44/469054644.db2.gz JFPOSZLIBSHANV-LBPRGKRZSA-N -1 3 328.459 2.087 10 30 EEEEHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000618715823 469430182 /nfs/dbraw/zinc/43/01/82/469430182.db2.gz KCUOYLFOLIXDJD-LBPRGKRZSA-N -1 3 349.393 2.494 10 30 EEEEHM C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000612365203 469447137 /nfs/dbraw/zinc/44/71/37/469447137.db2.gz GWTOKBHUBOCTHZ-BEFAXECRSA-N -1 3 341.411 2.149 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000657036237 471944281 /nfs/dbraw/zinc/94/42/81/471944281.db2.gz CDFGKHKJIKEIBU-CHWSQXEVSA-N -1 3 325.434 2.079 10 30 EEEEHM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc([O-])cn2)C1=O ZINC000755610887 577827880 /nfs/dbraw/zinc/82/78/80/577827880.db2.gz YZAKZQIOCSRIHU-SFHVURJKSA-N -1 3 338.367 2.064 10 30 EEEEHM C=C(C)[C@@H](CC(=O)OCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)OCC ZINC000756468571 577844649 /nfs/dbraw/zinc/84/46/49/577844649.db2.gz BUGBXFWZUVIMKF-DZGCQCFKSA-N -1 3 349.431 2.129 10 30 EEEEHM C=CCOc1ccccc1CN[C@@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC000895235366 684334338 /nfs/dbraw/zinc/33/43/38/684334338.db2.gz HSSOGUVHOVPKNF-LBPRGKRZSA-N -1 3 330.388 2.397 10 30 EEEEHM C=CCOc1ccccc1CN[C@@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC000895235366 684334341 /nfs/dbraw/zinc/33/43/41/684334341.db2.gz HSSOGUVHOVPKNF-LBPRGKRZSA-N -1 3 330.388 2.397 10 30 EEEEHM C=CCOc1ccccc1CN[C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895235366 684334344 /nfs/dbraw/zinc/33/43/44/684334344.db2.gz HSSOGUVHOVPKNF-LBPRGKRZSA-N -1 3 330.388 2.397 10 30 EEEEHM Cc1c([C@H](NCc2ccc(C(C)(C)C#N)cc2)C(=O)[O-])cnn1C ZINC000904048007 694282709 /nfs/dbraw/zinc/28/27/09/694282709.db2.gz LZTDKNCIQGMRBS-INIZCTEOSA-N -1 3 326.400 2.445 10 30 EEEEHM CCCCN([O-])C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000904215823 694328950 /nfs/dbraw/zinc/32/89/50/694328950.db2.gz LWFJXGOQBUJKNF-UHFFFAOYSA-N -1 3 340.445 2.177 10 30 EEEEHM C=C1CC(C)(C(=O)N[C@@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)C1 ZINC000888235735 692502337 /nfs/dbraw/zinc/50/23/37/692502337.db2.gz XPJNJDUYICLCGA-CYBMUJFWSA-N -1 3 330.432 2.357 10 30 EEEEHM Cc1oc(S(C)(=O)=O)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372606 1235627924 /nfs/dbraw/zinc/62/79/24/1235627924.db2.gz IUEORHGNNFGWLW-UHFFFAOYSA-N -1 3 327.333 2.162 10 30 EEEEHM COc1ccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c([O-])c1 ZINC000855308339 1293167431 /nfs/dbraw/zinc/16/74/31/1293167431.db2.gz ASCAOULDTMBITO-IBGZPJMESA-N -1 3 337.379 2.493 10 30 EEEEHM COC(=O)c1cc(NC(=O)C2(C#N)CC3(CC3)C2)c([O-])c(OC)c1 ZINC001158245406 1319111041 /nfs/dbraw/zinc/11/10/41/1319111041.db2.gz HOEJFLHIVNEDMZ-UHFFFAOYSA-N -1 3 330.340 2.210 10 30 EEEEHM C=CCO[C@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001261087512 1322012075 /nfs/dbraw/zinc/01/20/75/1322012075.db2.gz QNIMAPJWLDQYCZ-NSHDSACASA-N -1 3 334.322 2.223 10 30 EEEEHM O=C(C#CC1CC1)N1CCCC[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001297895438 1330013202 /nfs/dbraw/zinc/01/32/02/1330013202.db2.gz URJKUPZRCFQVML-INIZCTEOSA-N -1 3 340.423 2.307 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001340733424 1337237563 /nfs/dbraw/zinc/23/75/63/1337237563.db2.gz QLCBCXVRSGOSNV-NXEZZACHSA-N -1 3 332.799 2.031 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001340733424 1337237565 /nfs/dbraw/zinc/23/75/65/1337237565.db2.gz QLCBCXVRSGOSNV-NXEZZACHSA-N -1 3 332.799 2.031 10 30 EEEEHM C=C[C@@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347304663 1337502698 /nfs/dbraw/zinc/50/26/98/1337502698.db2.gz LICZPPZUZBQCIF-HZPDHXFCSA-N -1 3 338.411 2.155 10 30 EEEEHM O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572421109 1343487144 /nfs/dbraw/zinc/48/71/44/1343487144.db2.gz UEDVIAQPTBUPGY-XLIONFOSSA-N -1 3 338.407 2.059 10 30 EEEEHM C=CCCCC(=O)N1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001576432894 1344015527 /nfs/dbraw/zinc/01/55/27/1344015527.db2.gz VOMHNBFFRFPRGA-UHFFFAOYSA-N -1 3 341.415 2.035 10 30 EEEEHM C#CCn1cc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)cn1 ZINC001640012912 1352704415 /nfs/dbraw/zinc/70/44/15/1352704415.db2.gz QOSOUVUBMGKRQB-UHFFFAOYSA-N -1 3 325.265 2.203 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649518827 1353545730 /nfs/dbraw/zinc/54/57/30/1353545730.db2.gz GXBFMVLRNWHKLP-WBVHZDCISA-N -1 3 340.423 2.115 10 30 EEEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001663913170 1355052621 /nfs/dbraw/zinc/05/26/21/1355052621.db2.gz IFGQZPNCHWNPBJ-UHFFFAOYSA-N -1 3 329.393 2.493 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001681022129 1357942247 /nfs/dbraw/zinc/94/22/47/1357942247.db2.gz BINNFXGTUJXLPY-INIZCTEOSA-N -1 3 330.428 2.312 10 30 EEEEHM C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001681536881 1358024268 /nfs/dbraw/zinc/02/42/68/1358024268.db2.gz CODIJNPUOHDAOM-UONOGXRCSA-N -1 3 330.428 2.455 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1)C(=O)OC ZINC000918791873 769397330 /nfs/dbraw/zinc/39/73/30/769397330.db2.gz BJUBEBZISGPJFZ-KKUMJFAQSA-N -1 3 341.404 2.109 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000816691687 784200846 /nfs/dbraw/zinc/20/08/46/784200846.db2.gz WZABNDVFYGLFRT-HNNXBMFYSA-N -1 3 344.342 2.125 10 30 EEEEHM O=C(CCCc1cc(Cl)sc1Cl)N[C@@H]1CCN([O-])C1=O ZINC000816691861 784200881 /nfs/dbraw/zinc/20/08/81/784200881.db2.gz AYDXEALWLPKDOG-MRVPVSSYSA-N -1 3 337.228 2.484 10 30 EEEEHM Cc1ccc(F)c(Br)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000908404860 785387387 /nfs/dbraw/zinc/38/73/87/785387387.db2.gz CKNVGKGPHDMAKH-VIFPVBQESA-N -1 3 345.168 2.007 10 30 EEEEHM CCCCCCN([O-])C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001184314762 801969049 /nfs/dbraw/zinc/96/90/49/801969049.db2.gz JILABYNLPSPAPW-UHFFFAOYSA-N -1 3 344.389 2.410 10 30 EEEEHM O=C(c1cccc(N2CCNC2=O)c1)N([O-])Cc1ccc(F)cc1 ZINC001184349138 801996912 /nfs/dbraw/zinc/99/69/12/801996912.db2.gz WPRVSWPVGVDOPJ-UHFFFAOYSA-N -1 3 329.331 2.387 10 30 EEEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C)c1SC ZINC000791770816 809396448 /nfs/dbraw/zinc/39/64/48/809396448.db2.gz FWAMGLBDIHDIFZ-JTQLQIEISA-N -1 3 344.396 2.112 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC#N)C(F)(F)F ZINC001439452284 1092224743 /nfs/dbraw/zinc/22/47/43/1092224743.db2.gz JSSANPBCTCYHNM-GFCCVEGCSA-N -1 3 340.305 2.169 10 30 EEEEHM C#Cc1cccc(NC(=O)CNC(=O)c2cc(SC)ccc2[O-])c1 ZINC001441877675 1095999033 /nfs/dbraw/zinc/99/90/33/1095999033.db2.gz AAGFOIUQRVRJGQ-UHFFFAOYSA-N -1 3 340.404 2.464 10 30 EEEEHM C=CC(C)(C)C(=O)N[C@@H](C)CNCc1nc(=O)c2sccc2[n-]1 ZINC001498088368 1106905079 /nfs/dbraw/zinc/90/50/79/1106905079.db2.gz ZFOQYGIHIICRQA-JTQLQIEISA-N -1 3 334.445 2.203 10 30 EEEEHM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1NC(C)=O ZINC001459871754 1110249653 /nfs/dbraw/zinc/24/96/53/1110249653.db2.gz ONEJKYLDGWBDQI-CQSZACIVSA-N -1 3 341.383 2.498 10 30 EEEEHM CC#CCCCC(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001512015222 1118364226 /nfs/dbraw/zinc/36/42/26/1118364226.db2.gz IUOSSKNDCWTVOX-UHFFFAOYSA-N -1 3 340.423 2.474 10 30 EEEEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1 ZINC000122961789 292277249 /nfs/dbraw/zinc/27/72/49/292277249.db2.gz AONUABYOMNNUOY-UHFFFAOYSA-N -1 3 339.417 2.237 10 30 EEEEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000089783241 159185582 /nfs/dbraw/zinc/18/55/82/159185582.db2.gz VVWMABKOZPTKKJ-SNVBAGLBSA-N -1 3 344.820 2.222 10 30 EEEEHM N#Cc1cccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000344315072 161216694 /nfs/dbraw/zinc/21/66/94/161216694.db2.gz ZXGDHOJZKKOVRH-UHFFFAOYSA-N -1 3 341.314 2.451 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000528446244 268159821 /nfs/dbraw/zinc/15/98/21/268159821.db2.gz BHVZIXIUNFMBRI-LLVKDONJSA-N -1 3 328.821 2.307 10 30 EEEEHM CCC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000579968302 323967856 /nfs/dbraw/zinc/96/78/56/323967856.db2.gz QNVFUBMDPIASRQ-MEDUHNTESA-N -1 3 333.432 2.122 10 30 EEEEHM CCOC1(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)CCCC1 ZINC000297097213 465244777 /nfs/dbraw/zinc/24/47/77/465244777.db2.gz OGWVMDPJRYMLFC-UHFFFAOYSA-N -1 3 340.420 2.466 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1O ZINC000121322296 463115963 /nfs/dbraw/zinc/11/59/63/463115963.db2.gz KTVYYYVCARQMQA-GWCFXTLKSA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000160540695 463347707 /nfs/dbraw/zinc/34/77/07/463347707.db2.gz NWTMXKZDPNEVLT-UHFFFAOYSA-N -1 3 329.381 2.491 10 30 EEEEHM CCc1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1[O-] ZINC000081932698 463504535 /nfs/dbraw/zinc/50/45/35/463504535.db2.gz LGIFICQMJVTNHN-UHFFFAOYSA-N -1 3 336.395 2.184 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)C[C@H](CC#N)c2ccccc2)n[n-]1 ZINC000366527178 465782501 /nfs/dbraw/zinc/78/25/01/465782501.db2.gz FIMODAMPNYZDJP-AWEZNQCLSA-N -1 3 334.383 2.836 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)C[C@H](CC#N)c2ccccc2)[n-]n1 ZINC000366527178 465782507 /nfs/dbraw/zinc/78/25/07/465782507.db2.gz FIMODAMPNYZDJP-AWEZNQCLSA-N -1 3 334.383 2.836 10 30 EEEEHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000357474480 466065411 /nfs/dbraw/zinc/06/54/11/466065411.db2.gz LMTDWBXHRLJWKG-CQSZACIVSA-N -1 3 344.383 2.266 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C)cc(C#N)c1)C1CCOCC1 ZINC000592352698 468681693 /nfs/dbraw/zinc/68/16/93/468681693.db2.gz BIDTXUFJXBMMDH-INIZCTEOSA-N -1 3 338.429 2.050 10 30 EEEEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000595391560 468836725 /nfs/dbraw/zinc/83/67/25/468836725.db2.gz GFKVSNCDYUKSIV-LLVKDONJSA-N -1 3 328.821 2.305 10 30 EEEEHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C2 ZINC000593575880 469044185 /nfs/dbraw/zinc/04/41/85/469044185.db2.gz OPHZRXQDKZGQHI-ZDUSSCGKSA-N -1 3 348.449 2.464 10 30 EEEEHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593587702 469047875 /nfs/dbraw/zinc/04/78/75/469047875.db2.gz XINQNZDYIGRHIX-CYBMUJFWSA-N -1 3 327.475 2.018 10 30 EEEEHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)on1 ZINC000616417609 469443606 /nfs/dbraw/zinc/44/36/06/469443606.db2.gz XANGIEWVXCFOMM-UHFFFAOYSA-N -1 3 337.376 2.428 10 30 EEEEHM C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000612365233 469447266 /nfs/dbraw/zinc/44/72/66/469447266.db2.gz GWTOKBHUBOCTHZ-HNAYVOBHSA-N -1 3 341.411 2.149 10 30 EEEEHM CCOc1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000751502696 577754388 /nfs/dbraw/zinc/75/43/88/577754388.db2.gz HLAXHSXBEUBZKO-UHFFFAOYSA-N -1 3 349.387 2.012 10 30 EEEEHM C=CCc1cc(OC)cc(CN2CCN(C3CC3)[C@H](C#N)C2)c1[O-] ZINC000754726340 577811514 /nfs/dbraw/zinc/81/15/14/577811514.db2.gz PSGRRUVFVPCIMH-QGZVFWFLSA-N -1 3 327.428 2.301 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000904205048 694328516 /nfs/dbraw/zinc/32/85/16/694328516.db2.gz YQAFXROQPOLFEB-HOTGVXAUSA-N -1 3 338.448 2.226 10 30 EEEEHM CC(C)(C)C#CC(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001487399712 1197405488 /nfs/dbraw/zinc/40/54/88/1197405488.db2.gz HXBRABKGZVGCPZ-HDJSIYSDSA-N -1 3 328.412 2.066 10 30 EEEEHM CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)c1ncccc1[O-] ZINC001273340819 1198240496 /nfs/dbraw/zinc/24/04/96/1198240496.db2.gz HLUYBMYXYJIZIN-UHFFFAOYSA-N -1 3 342.374 2.050 10 30 EEEEHM C=CCC1(C(=O)N2CC[C@@](C)(NC(=O)c3cn[n-]n3)C2)CCCCC1 ZINC001286097786 1327288841 /nfs/dbraw/zinc/28/88/41/1327288841.db2.gz QTXPTINRXAMVKL-QGZVFWFLSA-N -1 3 345.447 2.052 10 30 EEEEHM C=C(C)CCC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)CC)n1 ZINC001290364051 1328181389 /nfs/dbraw/zinc/18/13/89/1328181389.db2.gz DYFNLSGXNCQOKS-UHFFFAOYSA-N -1 3 348.447 2.207 10 30 EEEEHM C=CCn1c(SCc2nc3c(c(=O)[n-]2)COCC3)nnc1C1CC1 ZINC001331882286 1335665231 /nfs/dbraw/zinc/66/52/31/1335665231.db2.gz YQLNYUSGACIUJE-UHFFFAOYSA-N -1 3 345.428 2.202 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2nccs2)C1 ZINC001340502421 1337198262 /nfs/dbraw/zinc/19/82/62/1337198262.db2.gz SXOGYSJCZRAWIF-JTQLQIEISA-N -1 3 344.400 2.275 10 30 EEEEHM C=CCCC(=O)N1C[C@H](C)[C@H](NCc2nc(=O)c3sccc3[n-]2)C1 ZINC001502705879 1342225084 /nfs/dbraw/zinc/22/50/84/1342225084.db2.gz AMQIUJIPSZGOOZ-WCQYABFASA-N -1 3 346.456 2.300 10 30 EEEEHM C=CCCCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001572790631 1343584077 /nfs/dbraw/zinc/58/40/77/1343584077.db2.gz KUBCMAXOMJUXOX-GOEBONIOSA-N -1 3 328.412 2.421 10 30 EEEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001662079735 1354747391 /nfs/dbraw/zinc/74/73/91/1354747391.db2.gz AMHGJFSXUKDSGA-HNNXBMFYSA-N -1 3 327.377 2.083 10 30 EEEEHM O=C(CSc1cc(Cl)ccc1Cl)N[C@@H]1CCN([O-])C1=O ZINC000820174984 785821911 /nfs/dbraw/zinc/82/19/11/785821911.db2.gz PYFUFVWCJMQUAY-SECBINFHSA-N -1 3 335.212 2.192 10 30 EEEEHM C#CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000844000008 788795382 /nfs/dbraw/zinc/79/53/82/788795382.db2.gz TTYSMDVAIASUKR-DOTOQJQBSA-N -1 3 340.423 2.259 10 30 EEEEHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])CN1C(=O)C#CC(C)(C)C ZINC001511253012 1118020138 /nfs/dbraw/zinc/02/01/38/1118020138.db2.gz APPNOXJYIYOZPE-ZIAGYGMSSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001512225990 1118461599 /nfs/dbraw/zinc/46/15/99/1118461599.db2.gz CTICMJOBVJFDOD-NEPJUHHUSA-N -1 3 346.431 2.039 10 30 EEEEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000295275908 269673979 /nfs/dbraw/zinc/67/39/79/269673979.db2.gz ZVNLBPGRBJIFTG-LBPRGKRZSA-N -1 3 331.397 2.391 10 30 EEEEHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000352246566 153021018 /nfs/dbraw/zinc/02/10/18/153021018.db2.gz IOCLVAKQYBIRFN-SNVBAGLBSA-N -1 3 335.360 2.140 10 30 EEEEHM C=CCN1CCC(NC(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000171566098 463884777 /nfs/dbraw/zinc/88/47/77/463884777.db2.gz STXPRERLJBQUMQ-UHFFFAOYSA-N -1 3 326.400 2.024 10 30 EEEEHM C=CCN1CCC(NC(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000171566098 463884783 /nfs/dbraw/zinc/88/47/83/463884783.db2.gz STXPRERLJBQUMQ-UHFFFAOYSA-N -1 3 326.400 2.024 10 30 EEEEHM N#Cc1ccnc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1 ZINC000353345863 465816283 /nfs/dbraw/zinc/81/62/83/465816283.db2.gz JSZPFXQAZIXAHL-UHFFFAOYSA-N -1 3 339.355 2.787 10 30 EEEEHM CCc1nc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)c(C)o1 ZINC000353600223 466005224 /nfs/dbraw/zinc/00/52/24/466005224.db2.gz XYUHTZBUMYSORS-UHFFFAOYSA-N -1 3 336.355 2.309 10 30 EEEEHM O=C(NC[C@H]1CCCCN1CCO)c1cc(F)cc(Cl)c1[O-] ZINC000331329984 466033275 /nfs/dbraw/zinc/03/32/75/466033275.db2.gz OGEXTGBJXCRHIA-LLVKDONJSA-N -1 3 330.787 2.336 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594475940 468599537 /nfs/dbraw/zinc/59/95/37/468599537.db2.gz ZPHZRTSPNITKIJ-HOCLYGCPSA-N -1 3 338.404 2.323 10 30 EEEEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594792384 468687480 /nfs/dbraw/zinc/68/74/80/468687480.db2.gz QEJGXZNAIZBKID-LLVKDONJSA-N -1 3 341.864 2.363 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000597922107 468711922 /nfs/dbraw/zinc/71/19/22/468711922.db2.gz HVNFXZZGKHLPSI-IBGZPJMESA-N -1 3 343.427 2.236 10 30 EEEEHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593600158 469053788 /nfs/dbraw/zinc/05/37/88/469053788.db2.gz AHYXDSJVLAIGNZ-HNNXBMFYSA-N -1 3 336.438 2.460 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593631499 469069724 /nfs/dbraw/zinc/06/97/24/469069724.db2.gz IZXCPKKALSVXJS-INIZCTEOSA-N -1 3 338.404 2.181 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000599482537 469272257 /nfs/dbraw/zinc/27/22/57/469272257.db2.gz QFPOCFLROMDPSS-OLZOCXBDSA-N -1 3 326.805 2.057 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(C)sc2C)nn1 ZINC000632635591 470253624 /nfs/dbraw/zinc/25/36/24/470253624.db2.gz CVLZRROQZYXNJD-UHFFFAOYSA-N -1 3 326.447 2.011 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000680932603 486092350 /nfs/dbraw/zinc/09/23/50/486092350.db2.gz XODHYNXMURTSFD-CQSZACIVSA-N -1 3 325.372 2.036 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)CCC1 ZINC000349632760 534562397 /nfs/dbraw/zinc/56/23/97/534562397.db2.gz YTIVHKFKHQQKIP-UHFFFAOYSA-N -1 3 336.310 2.356 10 30 EEEEHM CCOc1ccc(CN2CCN(c3cccc(C#N)n3)CC2)c([O-])c1 ZINC000761227799 577679863 /nfs/dbraw/zinc/67/98/63/577679863.db2.gz BXYHABFEOCUPJI-UHFFFAOYSA-N -1 3 338.411 2.380 10 30 EEEEHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)[C@]12C[C@H]1CCCC2 ZINC000904186398 694315123 /nfs/dbraw/zinc/31/51/23/694315123.db2.gz YTUFTYDSJIOUIX-BFUOFWGJSA-N -1 3 342.395 2.471 10 30 EEEEHM COCC#CCN[C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001267350120 1178805494 /nfs/dbraw/zinc/80/54/94/1178805494.db2.gz ACDHEDGQGJZYOX-SFHVURJKSA-N -1 3 338.407 2.103 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N(C)C1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001483877735 1191104586 /nfs/dbraw/zinc/10/45/86/1191104586.db2.gz WMAVKZAAEQMHGC-IBGZPJMESA-N -1 3 344.459 2.305 10 30 EEEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1CCCC2 ZINC000125614164 1199406429 /nfs/dbraw/zinc/40/64/29/1199406429.db2.gz IGTIXRTUKWUPRJ-GFCCVEGCSA-N -1 3 338.367 2.189 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000868562470 1201835567 /nfs/dbraw/zinc/83/55/67/1201835567.db2.gz FQSSRTLVNXYTIH-CVEARBPZSA-N -1 3 331.416 2.242 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(=O)OCC ZINC000882645311 1201913097 /nfs/dbraw/zinc/91/30/97/1201913097.db2.gz YSZHBGGMZOPNDC-OAHLLOKOSA-N -1 3 343.420 2.451 10 30 EEEEHM CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490848209 1209685935 /nfs/dbraw/zinc/68/59/35/1209685935.db2.gz BMLVGXKFVMWVOR-OIISXLGYSA-N -1 3 340.423 2.448 10 30 EEEEHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000796601837 1221616952 /nfs/dbraw/zinc/61/69/52/1221616952.db2.gz NDRQMTLAYNJRSB-CQSZACIVSA-N -1 3 347.374 2.326 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC001191747721 1281594338 /nfs/dbraw/zinc/59/43/38/1281594338.db2.gz OJCDFFMMDGFLKV-AWEZNQCLSA-N -1 3 334.328 2.387 10 30 EEEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867407059 1289777262 /nfs/dbraw/zinc/77/72/62/1289777262.db2.gz KVEBKFBSGNHAPZ-JLTOFOAXSA-N -1 3 330.475 2.126 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2sccc2nc1Cl ZINC000854649028 1292905811 /nfs/dbraw/zinc/90/58/11/1292905811.db2.gz OQNGMBBHUPUZJV-SECBINFHSA-N -1 3 325.777 2.060 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000856199248 1293441372 /nfs/dbraw/zinc/44/13/72/1293441372.db2.gz QSJPPIGNQIYFAF-BETUJISGSA-N -1 3 338.404 2.057 10 30 EEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000859428125 1294436448 /nfs/dbraw/zinc/43/64/48/1294436448.db2.gz WGULQEXHKBLTDH-JTQLQIEISA-N -1 3 339.310 2.161 10 30 EEEEHM C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001413704139 1294690672 /nfs/dbraw/zinc/69/06/72/1294690672.db2.gz ISUHRPDXCGYHEE-YFKPBYRVSA-N -1 3 345.231 2.464 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1OC(F)(F)F ZINC000861826970 1295556146 /nfs/dbraw/zinc/55/61/46/1295556146.db2.gz CCFBPUWGDTUBNN-JTQLQIEISA-N -1 3 332.278 2.004 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001214057208 1296282321 /nfs/dbraw/zinc/28/23/21/1296282321.db2.gz TTYVJXCGPFFKLQ-DYVFJYSZSA-N -1 3 337.441 2.448 10 30 EEEEHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3ccccn3)s2)nn1 ZINC001125230090 1314443700 /nfs/dbraw/zinc/44/37/00/1314443700.db2.gz MLWGCZCQFGRKTA-UHFFFAOYSA-N -1 3 327.373 2.020 10 30 EEEEHM C#Cc1ccc(C(=O)N(C)CCCNC(=O)c2ccccc2[O-])cc1 ZINC001293961821 1328846563 /nfs/dbraw/zinc/84/65/63/1328846563.db2.gz BMHSEMLBTZRJAF-UHFFFAOYSA-N -1 3 336.391 2.266 10 30 EEEEHM Cc1nnnn1-c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(F)c1 ZINC001161842432 1320643853 /nfs/dbraw/zinc/64/38/53/1320643853.db2.gz DKLXJNSKULTMGM-UHFFFAOYSA-N -1 3 345.309 2.281 10 30 EEEEHM CC(C)C#CC(=O)N[C@H](C)CCCCNC(=O)c1ccccc1[O-] ZINC001281563894 1325286157 /nfs/dbraw/zinc/28/61/57/1325286157.db2.gz QZIHQMGSYCRNQS-OAHLLOKOSA-N -1 3 330.428 2.456 10 30 EEEEHM C=C(C)CCC(=O)N[C@H]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001286327358 1327373714 /nfs/dbraw/zinc/37/37/14/1327373714.db2.gz DXXGPXVOOXZKSO-KBPBESRZSA-N -1 3 346.431 2.004 10 30 EEEEHM C=CCCC(=O)N[C@H]1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001286327458 1327374469 /nfs/dbraw/zinc/37/44/69/1327374469.db2.gz HUXHWCPUUQKTAF-STQMWFEESA-N -1 3 341.415 2.081 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cn1 ZINC001304566517 1331389812 /nfs/dbraw/zinc/38/98/12/1331389812.db2.gz XZGUMQLVUVVRGO-UHFFFAOYSA-N -1 3 347.334 2.286 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cn1 ZINC001304566517 1331389817 /nfs/dbraw/zinc/38/98/17/1331389817.db2.gz XZGUMQLVUVVRGO-UHFFFAOYSA-N -1 3 347.334 2.286 10 30 EEEEHM C=C(C)CCC(=O)NC[C@H]1CCCCCN1C(=O)c1cnc[n-]c1=O ZINC001334897037 1336309851 /nfs/dbraw/zinc/30/98/51/1336309851.db2.gz JRWIYWXVBHLHAM-CQSZACIVSA-N -1 3 346.431 2.040 10 30 EEEEHM C#CCCCC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339739124 1337064504 /nfs/dbraw/zinc/06/45/04/1337064504.db2.gz QCWUSTQWXPZDBS-HOTGVXAUSA-N -1 3 342.439 2.410 10 30 EEEEHM C=C[C@@H](CC)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C)n1 ZINC001344650089 1337406735 /nfs/dbraw/zinc/40/67/35/1337406735.db2.gz MGOCLYMOBWMUAY-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM O=C(CC#Cc1ccccc1)NC[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001358611583 1339067043 /nfs/dbraw/zinc/06/70/43/1339067043.db2.gz IJDPJHAFRVOGBA-KRWDZBQOSA-N -1 3 348.402 2.165 10 30 EEEEHM Cc1csc([C@H]2CCN(Cc3cc(=O)n4[n-]cc(C#N)c4n3)C2)n1 ZINC001620560271 1352360426 /nfs/dbraw/zinc/36/04/26/1352360426.db2.gz PTLVGTNOMKIIQM-NSHDSACASA-N -1 3 340.412 2.061 10 30 EEEEHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC001559034607 1342496064 /nfs/dbraw/zinc/49/60/64/1342496064.db2.gz IBHBZBIMTBBHGQ-DYVFJYSZSA-N -1 3 339.436 2.285 10 30 EEEEHM C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001677888086 1357427622 /nfs/dbraw/zinc/42/76/22/1357427622.db2.gz PIWYTEOZILFKQA-STQMWFEESA-N -1 3 341.411 2.117 10 30 EEEEHM C#Cc1ccc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001635840104 1352653828 /nfs/dbraw/zinc/65/38/28/1352653828.db2.gz CRMSFLYRZWZTOR-UHFFFAOYSA-N -1 3 336.391 2.118 10 30 EEEEHM C=CCNc1ncc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001651735203 1354062723 /nfs/dbraw/zinc/06/27/23/1354062723.db2.gz LOWHOXPJIWYSPD-UHFFFAOYSA-N -1 3 331.401 2.044 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCC1 ZINC001671722252 1356403392 /nfs/dbraw/zinc/40/33/92/1356403392.db2.gz XMNJTNBZCMIMFY-UHFFFAOYSA-N -1 3 325.777 2.101 10 30 EEEEHM CCc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br ZINC000908407298 785389380 /nfs/dbraw/zinc/38/93/80/785389380.db2.gz VLRVBJFCBVUDQI-GFCCVEGCSA-N -1 3 341.205 2.122 10 30 EEEEHM C#CCN1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)CC1 ZINC000910404714 786719248 /nfs/dbraw/zinc/71/92/48/786719248.db2.gz ZQNRNMWXGIPYIU-MRXNPFEDSA-N -1 3 348.830 2.317 10 30 EEEEHM O=C(NCC#C[C@@H]1CCCCO1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001457026207 1109418737 /nfs/dbraw/zinc/41/87/37/1109418737.db2.gz BRFOXFOCCMVIDB-LBPRGKRZSA-N -1 3 346.333 2.109 10 30 EEEEHM C#CCCCCC(=O)N1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509381105 1115815615 /nfs/dbraw/zinc/81/56/15/1115815615.db2.gz MBMIKWKFNMUWBH-AWEZNQCLSA-N -1 3 328.412 2.163 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001533103169 1123080786 /nfs/dbraw/zinc/08/07/86/1123080786.db2.gz LQUGNUKKFFCINK-HOCLYGCPSA-N -1 3 342.439 2.456 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000451812916 243276844 /nfs/dbraw/zinc/27/68/44/243276844.db2.gz HRPLSLGTIYNLNO-UHFFFAOYSA-N -1 3 346.811 2.256 10 30 EEEEHM CCC[C@]1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCOC1 ZINC000352353040 162099331 /nfs/dbraw/zinc/09/93/31/162099331.db2.gz RGCXGOQYPUZDFZ-AWEZNQCLSA-N -1 3 328.821 2.449 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000349873747 533684370 /nfs/dbraw/zinc/68/43/70/533684370.db2.gz CVIGUAVLKHOPSD-UHFFFAOYSA-N -1 3 342.417 2.291 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)s1 ZINC000425192977 268254917 /nfs/dbraw/zinc/25/49/17/268254917.db2.gz JKODCAJZQIDFOU-UHFFFAOYSA-N -1 3 348.396 2.293 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178713511 463949175 /nfs/dbraw/zinc/94/91/75/463949175.db2.gz HIAYXLAOXLRFJP-ZBFHGGJFSA-N -1 3 348.811 2.148 10 30 EEEEHM C=CCCCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000279269521 464084429 /nfs/dbraw/zinc/08/44/29/464084429.db2.gz VDIZZJAPLNLZRS-HNNXBMFYSA-N -1 3 342.436 2.211 10 30 EEEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000281478700 464470904 /nfs/dbraw/zinc/47/09/04/464470904.db2.gz JLQVKSQVSSADRZ-JTQLQIEISA-N -1 3 342.373 2.014 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000294626160 464557764 /nfs/dbraw/zinc/55/77/64/464557764.db2.gz QGFNVRPHKUPOSC-VIFPVBQESA-N -1 3 330.281 2.398 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000295632537 464909487 /nfs/dbraw/zinc/90/94/87/464909487.db2.gz XKIKGPDKXBGULB-KBPBESRZSA-N -1 3 329.400 2.019 10 30 EEEEHM CCCCOc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c([O-])c1 ZINC000365123035 466732940 /nfs/dbraw/zinc/73/29/40/466732940.db2.gz GFOCIQFGLDBFGL-OAHLLOKOSA-N -1 3 343.427 2.383 10 30 EEEEHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(C#N)nc1 ZINC000365717070 466917884 /nfs/dbraw/zinc/91/78/84/466917884.db2.gz FGSWOUIVYLBRSW-UHFFFAOYSA-N -1 3 338.758 2.076 10 30 EEEEHM CCN(CC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444031532 467581365 /nfs/dbraw/zinc/58/13/65/467581365.db2.gz MCUZDDAUESBNIU-UHFFFAOYSA-N -1 3 334.173 2.276 10 30 EEEEHM CCN(CC#N)C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000444031532 467581367 /nfs/dbraw/zinc/58/13/67/467581367.db2.gz MCUZDDAUESBNIU-UHFFFAOYSA-N -1 3 334.173 2.276 10 30 EEEEHM Cc1cc(C(C#N)=C([O-])c2cccc(C(=O)NC3CC3)c2)nc(C)n1 ZINC000526160361 467650667 /nfs/dbraw/zinc/65/06/67/467650667.db2.gz HWZHZQFWTPMRKK-MRXNPFEDSA-N -1 3 334.379 2.476 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000528545698 467699836 /nfs/dbraw/zinc/69/98/36/467699836.db2.gz DCBDQRNCRIGDCQ-LFNDISMMSA-N -1 3 328.821 2.302 10 30 EEEEHM N#CC1(CC(=O)NCc2ccc([O-])c3ncccc23)CCOCC1 ZINC000597732205 468654505 /nfs/dbraw/zinc/65/45/05/468654505.db2.gz LUVPRMVCHUPMQI-UHFFFAOYSA-N -1 3 325.368 2.267 10 30 EEEEHM N#CCc1ccc(CS(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000592383444 468687117 /nfs/dbraw/zinc/68/71/17/468687117.db2.gz VBIOAZROTTUASX-UHFFFAOYSA-N -1 3 328.397 2.362 10 30 EEEEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)O1 ZINC000594850810 468704285 /nfs/dbraw/zinc/70/42/85/468704285.db2.gz FUPUYMUHVVWDTN-GHMZBOCLSA-N -1 3 328.821 2.448 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000599325542 469211529 /nfs/dbraw/zinc/21/15/29/469211529.db2.gz GOHGZJCSDFMTIT-CQSZACIVSA-N -1 3 326.393 2.126 10 30 EEEEHM Cc1cc(Cl)cc(C=NNC(=S)NC[C@@H]2CCCO2)c1[O-] ZINC000774573573 577404804 /nfs/dbraw/zinc/40/48/04/577404804.db2.gz NVFVHEIXWVDYPA-LBPRGKRZSA-N -1 3 327.837 2.331 10 30 EEEEHM CC(=N[N-]S(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000764708223 577487102 /nfs/dbraw/zinc/48/71/02/577487102.db2.gz RFLFRQUVSRHXGS-UHFFFAOYSA-N -1 3 331.191 2.469 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000760210209 577658915 /nfs/dbraw/zinc/65/89/15/577658915.db2.gz COVIAMOIKVWLFV-IDTCLIEOSA-N -1 3 337.383 2.349 10 30 EEEEHM CC#CCN1CC[C@@H](N(CCC)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001267547237 1179331561 /nfs/dbraw/zinc/33/15/61/1179331561.db2.gz KCHPTRMTEXUEBY-OAHLLOKOSA-N -1 3 342.443 2.009 10 30 EEEEHM CCCCCCCCC(=O)N1CC(NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001745916676 1185968172 /nfs/dbraw/zinc/96/81/72/1185968172.db2.gz RBPPPPLPVALRCV-UHFFFAOYSA-N -1 3 348.447 2.182 10 30 EEEEHM COCC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1NC(C)=O ZINC001271757427 1186463129 /nfs/dbraw/zinc/46/31/29/1186463129.db2.gz HVYUJRWWRAHVEF-OAHLLOKOSA-N -1 3 339.342 2.172 10 30 EEEEHM COC(=O)c1cnc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001649069510 1193506079 /nfs/dbraw/zinc/50/60/79/1193506079.db2.gz CAYAUEQOLPBBNG-UHFFFAOYSA-N -1 3 337.335 2.448 10 30 EEEEHM C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000874862008 1199044924 /nfs/dbraw/zinc/04/49/24/1199044924.db2.gz ZYVBVRSPWWRIHR-ZOBUZTSGSA-N -1 3 340.423 2.305 10 30 EEEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCC ZINC000867588471 1201639296 /nfs/dbraw/zinc/63/92/96/1201639296.db2.gz DTAHRYDOOOKDSG-NSHDSACASA-N -1 3 335.784 2.178 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1cccs1)C(=O)OCC ZINC000882644715 1201912568 /nfs/dbraw/zinc/91/25/68/1201912568.db2.gz PNZGIPOPHVRVHE-CYBMUJFWSA-N -1 3 331.459 2.108 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F)C(C)(C)C ZINC001190909994 1281145731 /nfs/dbraw/zinc/14/57/31/1281145731.db2.gz KJXRHHCEHYOYHU-AWEZNQCLSA-N -1 3 341.404 2.329 10 30 EEEEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000867304649 1285548851 /nfs/dbraw/zinc/54/88/51/1285548851.db2.gz PIDAMXYLZFKWFS-QKKBWIMNSA-N -1 3 343.474 2.374 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000859279582 1294373383 /nfs/dbraw/zinc/37/33/83/1294373383.db2.gz CJKFSNJRIZKURZ-TZMCWYRMSA-N -1 3 347.358 2.254 10 30 EEEEHM C=CC[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000860904245 1295165844 /nfs/dbraw/zinc/16/58/44/1295165844.db2.gz QBOMLAOPLIPZEQ-RYUDHWBXSA-N -1 3 336.413 2.012 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)C1 ZINC001263010324 1322421831 /nfs/dbraw/zinc/42/18/31/1322421831.db2.gz UJYDQPWLKZLOBO-ZDUSSCGKSA-N -1 3 326.404 2.009 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NC(=O)c1cccc2n[n-]nc21 ZINC001285098214 1326865167 /nfs/dbraw/zinc/86/51/67/1326865167.db2.gz YAAFLSPVMDHSQY-KZULUSFZSA-N -1 3 343.431 2.185 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001297916117 1330015845 /nfs/dbraw/zinc/01/58/45/1330015845.db2.gz IEJDYSGPKYAPEY-WBVHZDCISA-N -1 3 342.439 2.409 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001298899617 1330133724 /nfs/dbraw/zinc/13/37/24/1330133724.db2.gz PTSFNNNSELEUAI-NVXWUHKLSA-N -1 3 342.439 2.456 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)c2cnn(CCO)c2-c2ccccc2)c1 ZINC001302373709 1331325823 /nfs/dbraw/zinc/32/58/23/1331325823.db2.gz LBNUUSBNCPNWGR-UHFFFAOYSA-N -1 3 348.362 2.138 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001337439447 1336702217 /nfs/dbraw/zinc/70/22/17/1336702217.db2.gz ZTDGEMWSYWCFCE-KPZWWZAWSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](CCF)C1 ZINC001339091246 1336957713 /nfs/dbraw/zinc/95/77/13/1336957713.db2.gz QKZZFBXIFUQECK-SNVBAGLBSA-N -1 3 339.806 2.479 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](CCF)C1 ZINC001339091246 1336957715 /nfs/dbraw/zinc/95/77/15/1336957715.db2.gz QKZZFBXIFUQECK-SNVBAGLBSA-N -1 3 339.806 2.479 10 30 EEEEHM C=CCCOCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001339655883 1337045239 /nfs/dbraw/zinc/04/52/39/1337045239.db2.gz SGFOKHUJZLYAFH-GJZGRUSLSA-N -1 3 346.427 2.094 10 30 EEEEHM N#Cc1c(F)cc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1F ZINC001617380667 1352340557 /nfs/dbraw/zinc/34/05/57/1352340557.db2.gz HMOUYJXJSNYINO-UHFFFAOYSA-N -1 3 331.257 2.177 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001556750873 1342434267 /nfs/dbraw/zinc/43/42/67/1342434267.db2.gz YQENQKWPCCWWOF-AWEZNQCLSA-N -1 3 347.758 2.247 10 30 EEEEHM CCCCN([O-])C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001559035334 1342495921 /nfs/dbraw/zinc/49/59/21/1342495921.db2.gz MMFGISXENDDZPQ-PXAZEXFGSA-N -1 3 339.436 2.141 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572452597 1343496051 /nfs/dbraw/zinc/49/60/51/1343496051.db2.gz DYRSLXCTYHALNU-HUUCEWRRSA-N -1 3 328.412 2.066 10 30 EEEEHM C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649520005 1353546531 /nfs/dbraw/zinc/54/65/31/1353546531.db2.gz MMWQLSIOGPCIPV-RDJZCZTQSA-N -1 3 340.423 2.259 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)CCc1cccs1)C(=O)OC ZINC000921383830 773319629 /nfs/dbraw/zinc/31/96/29/773319629.db2.gz CWEZVBIRJZCSRI-ZDUSSCGKSA-N -1 3 331.459 2.108 10 30 EEEEHM C#CCN(C)CCCNC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000909038005 785945151 /nfs/dbraw/zinc/94/51/51/785945151.db2.gz RACDGCDXNQNUAF-SJORKVTESA-N -1 3 349.475 2.007 10 30 EEEEHM C=CCOc1cccnc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472109979 1110543225 /nfs/dbraw/zinc/54/32/25/1110543225.db2.gz ZIXHMCHKBFPEQA-QMMMGPOBSA-N -1 3 341.293 2.274 10 30 EEEEHM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001536620773 1123746725 /nfs/dbraw/zinc/74/67/25/1123746725.db2.gz IWXQAMQYTCSZTB-YOEHRIQHSA-N -1 3 340.423 2.115 10 30 EEEEHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]C1(CO)CCCCC1 ZINC000053096081 214163389 /nfs/dbraw/zinc/16/33/89/214163389.db2.gz UKTIDZPSPMIOJI-UHFFFAOYSA-N -1 3 328.821 2.185 10 30 EEEEHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000451817665 243280283 /nfs/dbraw/zinc/28/02/83/243280283.db2.gz MDPFHLHZXABLMT-IUODEOHRSA-N -1 3 340.420 2.427 10 30 EEEEHM N#Cc1cccnc1N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000431625907 270020067 /nfs/dbraw/zinc/02/00/67/270020067.db2.gz RGMJGFPMTKCWES-UHFFFAOYSA-N -1 3 342.786 2.275 10 30 EEEEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)s1 ZINC000435448627 270020278 /nfs/dbraw/zinc/02/02/78/270020278.db2.gz YOCHLOKYKWEFQL-UHFFFAOYSA-N -1 3 327.456 2.160 10 30 EEEEHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(Cn3cccn3)on1)CCCC2 ZINC000298025071 268024546 /nfs/dbraw/zinc/02/45/46/268024546.db2.gz UNWVLRWJEBWBEY-UHFFFAOYSA-N -1 3 348.366 2.317 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000065516871 462785457 /nfs/dbraw/zinc/78/54/57/462785457.db2.gz WNDFLPGRYVQLKZ-AEFFLSMTSA-N -1 3 335.407 2.468 10 30 EEEEHM CCc1nc(C2([N-]S(=O)(=O)c3cccc(C#N)c3)CCCC2)no1 ZINC000177606578 463748885 /nfs/dbraw/zinc/74/88/85/463748885.db2.gz QILUVKYUVBTRNA-UHFFFAOYSA-N -1 3 346.412 2.251 10 30 EEEEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000276968016 463824892 /nfs/dbraw/zinc/82/48/92/463824892.db2.gz DIMPKFQSYABFGQ-GFCCVEGCSA-N -1 3 347.444 2.253 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCC(O)CC2)c(Cl)c1 ZINC000227652505 464188795 /nfs/dbraw/zinc/18/87/95/464188795.db2.gz WRMHQTUEFZWLAY-UHFFFAOYSA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000353717070 466091374 /nfs/dbraw/zinc/09/13/74/466091374.db2.gz GYISTAXCSZUIIN-BPNCWPANSA-N -1 3 331.416 2.233 10 30 EEEEHM CC(=O)c1ccc(C#N)cc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000302083276 466093342 /nfs/dbraw/zinc/09/33/42/466093342.db2.gz DDGUUIIFUUAUSH-UHFFFAOYSA-N -1 3 349.390 2.429 10 30 EEEEHM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000428107919 467203999 /nfs/dbraw/zinc/20/39/99/467203999.db2.gz RHGNFMGFJJWUJJ-UHFFFAOYSA-N -1 3 337.376 2.261 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)CNC(=O)c3cccc([O-])c3)CCC2)cc1 ZINC000594403085 468574208 /nfs/dbraw/zinc/57/42/08/468574208.db2.gz DZSOQDKITCIUNY-UHFFFAOYSA-N -1 3 349.390 2.189 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c(F)c1 ZINC000594490811 468607131 /nfs/dbraw/zinc/60/71/31/468607131.db2.gz JTQYQWZURDHGRV-ZDUSSCGKSA-N -1 3 338.404 2.467 10 30 EEEEHM C[C@@H](NC(=O)c1cscc1C#N)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000597651602 468627564 /nfs/dbraw/zinc/62/75/64/468627564.db2.gz CUMSDXBLTMLSQZ-VHSXEESVSA-N -1 3 344.396 2.113 10 30 EEEEHM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000595391582 468836544 /nfs/dbraw/zinc/83/65/44/468836544.db2.gz MRWHDPBKORQBFW-GDBMZVCRSA-N -1 3 336.457 2.154 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccccc1CC#N ZINC000601364991 468841991 /nfs/dbraw/zinc/84/19/91/468841991.db2.gz OXFCFMMGJSTFHP-ZDUSSCGKSA-N -1 3 336.438 2.135 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC ZINC000601502376 468897621 /nfs/dbraw/zinc/89/76/21/468897621.db2.gz OTSHGYYKLHIVAT-OAHLLOKOSA-N -1 3 348.424 2.162 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601512656 468902250 /nfs/dbraw/zinc/90/22/50/468902250.db2.gz CJJROPOVWDNYAP-OCCSQVGLSA-N -1 3 326.443 2.246 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601521795 468905584 /nfs/dbraw/zinc/90/55/84/468905584.db2.gz XYLOACBJVHCTAK-RISCZKNCSA-N -1 3 326.443 2.246 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)OC ZINC000601785848 469024595 /nfs/dbraw/zinc/02/45/95/469024595.db2.gz VMLNXHWGKHLCQC-GFCCVEGCSA-N -1 3 342.189 2.392 10 30 EEEEHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593590138 469049061 /nfs/dbraw/zinc/04/90/61/469049061.db2.gz ZDUDLAYYNCLTDY-SNVBAGLBSA-N -1 3 330.431 2.018 10 30 EEEEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593624797 469064630 /nfs/dbraw/zinc/06/46/30/469064630.db2.gz XVIDFHNYPDVODG-UHFFFAOYSA-N -1 3 342.442 2.205 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000611013169 469139869 /nfs/dbraw/zinc/13/98/69/469139869.db2.gz HLIGWMBXGMLFJC-UHFFFAOYSA-N -1 3 341.732 2.191 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000599359460 469225941 /nfs/dbraw/zinc/22/59/41/469225941.db2.gz BLTCYMPBMVZAJP-UHFFFAOYSA-N -1 3 329.393 2.493 10 30 EEEEHM COC(=O)[C@@]1([N-]S(=O)(=O)CC(C)(C)CC#N)CCCC(C)(C)C1 ZINC000599406032 469246640 /nfs/dbraw/zinc/24/66/40/469246640.db2.gz APUXFCLCZYOEEX-MRXNPFEDSA-N -1 3 344.477 2.358 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000609240782 469905499 /nfs/dbraw/zinc/90/54/99/469905499.db2.gz OWBVATNWEXNDAO-UHFFFAOYSA-N -1 3 327.315 2.291 10 30 EEEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645731166 470395170 /nfs/dbraw/zinc/39/51/70/470395170.db2.gz FOJUTXLPIKBCJR-UHFFFAOYSA-N -1 3 328.434 2.170 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCCC(C)(C)[C@H]1C#N ZINC000769893419 577586619 /nfs/dbraw/zinc/58/66/19/577586619.db2.gz OLRVIMQIDRTNFI-DZGCQCFKSA-N -1 3 329.448 2.229 10 30 EEEEHM O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)N([O-])Cc1ccc(F)cc1 ZINC000904178698 694312573 /nfs/dbraw/zinc/31/25/73/694312573.db2.gz RPCBBWRMNAJOJY-CABCVRRESA-N -1 3 339.363 2.244 10 30 EEEEHM C#CCCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001746216001 1187636319 /nfs/dbraw/zinc/63/63/19/1187636319.db2.gz PWNZYBXTIDETCM-UHFFFAOYSA-N -1 3 328.412 2.355 10 30 EEEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000872545524 1198234362 /nfs/dbraw/zinc/23/43/62/1198234362.db2.gz HZRMDNOGFXJBBU-UHFFFAOYSA-N -1 3 331.463 2.372 10 30 EEEEHM C#CCCCC(=O)NC1CC2(C1)CC(NC(=O)c1ccccc1[O-])C2 ZINC001491050878 1258614361 /nfs/dbraw/zinc/61/43/61/1258614361.db2.gz ZSHCLTVZWJZCDY-UHFFFAOYSA-N -1 3 340.423 2.353 10 30 EEEEHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867058545 1280759601 /nfs/dbraw/zinc/75/96/01/1280759601.db2.gz HBSAFXHZTOVTSW-VIFPVBQESA-N -1 3 336.255 2.206 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc3ccccc3o2)nn1 ZINC001193475770 1282524893 /nfs/dbraw/zinc/52/48/93/1282524893.db2.gz KQZGLOIUXUMRQD-UHFFFAOYSA-N -1 3 332.385 2.079 10 30 EEEEHM CCC(F)(F)C[N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000862053020 1295676002 /nfs/dbraw/zinc/67/60/02/1295676002.db2.gz JCJZNJLLEYSEPI-UHFFFAOYSA-N -1 3 346.202 2.482 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001161826965 1320639894 /nfs/dbraw/zinc/63/98/94/1320639894.db2.gz QYWSMMBNQXIBMH-ZDUSSCGKSA-N -1 3 330.425 2.420 10 30 EEEEHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3ccccc3[O-])CC2)cc1 ZINC001285949273 1327220312 /nfs/dbraw/zinc/22/03/12/1327220312.db2.gz FPYTVHJBULQHDF-UHFFFAOYSA-N -1 3 334.375 2.066 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001290752861 1328258465 /nfs/dbraw/zinc/25/84/65/1328258465.db2.gz AJYMOCCHPYHGFH-KBPBESRZSA-N -1 3 347.463 2.154 10 30 EEEEHM Cc1nccnc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001433553867 1341624886 /nfs/dbraw/zinc/62/48/86/1341624886.db2.gz YYEZDFWCDHJCLH-CYBMUJFWSA-N -1 3 339.399 2.184 10 30 EEEEHM CC[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1NC(=O)C#CC1CC1 ZINC001505558563 1342236106 /nfs/dbraw/zinc/23/61/06/1342236106.db2.gz PGXFGJLPMHPJPI-WBVHZDCISA-N -1 3 340.423 2.163 10 30 EEEEHM CCCCCCN([O-])C(=O)c1n[nH]cc1I ZINC001559034928 1342496245 /nfs/dbraw/zinc/49/62/45/1342496245.db2.gz VGSKFHNDZXNVSW-UHFFFAOYSA-N -1 3 337.161 2.426 10 30 EEEEHM C=CCCC1(C(=O)N2CC[C@@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC001577884036 1344209987 /nfs/dbraw/zinc/20/99/87/1344209987.db2.gz SZXPDTUIZGVPSA-CQSZACIVSA-N -1 3 328.412 2.469 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001627091491 1352482900 /nfs/dbraw/zinc/48/29/00/1352482900.db2.gz PTYXKLFELSFMBI-QWHCGFSZSA-N -1 3 337.379 2.162 10 30 EEEEHM C=CCOc1cccnc1C(=O)[N-]c1nc(-c2cnn(C)c2)ns1 ZINC001627439086 1352496460 /nfs/dbraw/zinc/49/64/60/1352496460.db2.gz GZWWTVKNGSVWFJ-UHFFFAOYSA-N -1 3 342.384 2.151 10 30 EEEEHM C=CCCC(=O)NC[C@@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001661855842 1354710556 /nfs/dbraw/zinc/71/05/56/1354710556.db2.gz BLPFEZDYNBXNEM-INIZCTEOSA-N -1 3 344.459 2.497 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001688274937 1358883575 /nfs/dbraw/zinc/88/35/75/1358883575.db2.gz JMKJWAYVZAVCCK-XIKOKIGWSA-N -1 3 343.431 2.185 10 30 EEEEHM N#CC(C(=O)COC1CCOCC1)=C([O-])C1(c2ccccc2)CC1 ZINC000845839856 789965718 /nfs/dbraw/zinc/96/57/18/789965718.db2.gz XLWRGPVQSCJDHW-MRXNPFEDSA-N -1 3 327.380 2.192 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cccc(Br)n2)CCC1 ZINC000922044594 798737439 /nfs/dbraw/zinc/73/74/39/798737439.db2.gz RHDRWPUEOBGJND-UHFFFAOYSA-N -1 3 329.219 2.068 10 30 EEEEHM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ncccc2[O-])c1 ZINC000792087431 809594153 /nfs/dbraw/zinc/59/41/53/809594153.db2.gz ZOFBTZBKERLKOL-AWEZNQCLSA-N -1 3 340.383 2.468 10 30 EEEEHM C=CCOCC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001500588688 1112958954 /nfs/dbraw/zinc/95/89/54/1112958954.db2.gz KTFOKIXPABEBTB-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC001507276751 1115170147 /nfs/dbraw/zinc/17/01/47/1115170147.db2.gz DJRLRXGBKZIWAQ-WBVHZDCISA-N -1 3 335.407 2.032 10 30 EEEEHM C=C[C@H](CC)CC(=O)N(CC)[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001512465816 1118549953 /nfs/dbraw/zinc/54/99/53/1118549953.db2.gz QBEMHEQQPZJELG-TZMCWYRMSA-N -1 3 348.447 2.060 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)cn1 ZINC001539853198 1124068302 /nfs/dbraw/zinc/06/83/02/1124068302.db2.gz XUCQWCBNFBMCJA-UHFFFAOYSA-N -1 3 334.335 2.368 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000125335586 292295769 /nfs/dbraw/zinc/29/57/69/292295769.db2.gz HGMBCVKOSWRGFC-CYBMUJFWSA-N -1 3 340.401 2.079 10 30 EEEEHM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000343920727 161180620 /nfs/dbraw/zinc/18/06/20/161180620.db2.gz HRHAJDBDXWKHMU-UHFFFAOYSA-N -1 3 339.351 2.348 10 30 EEEEHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000352345290 162097002 /nfs/dbraw/zinc/09/70/02/162097002.db2.gz KREVSTVWYZMURV-UHFFFAOYSA-N -1 3 336.310 2.459 10 30 EEEEHM C[C@@]1(C[C@@H]2CCCN2c2cc(C#N)c3ccccc3n2)NC(=O)[N-]C1=O ZINC000553634938 318537257 /nfs/dbraw/zinc/53/72/57/318537257.db2.gz FJJODACWUYWFLL-DJJJIMSYSA-N -1 3 349.394 2.063 10 30 EEEEHM C=C[C@H](CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000282944563 463709644 /nfs/dbraw/zinc/70/96/44/463709644.db2.gz PYLYATXRURXEBN-HIFRSBDPSA-N -1 3 326.400 2.164 10 30 EEEEHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000277050869 463856651 /nfs/dbraw/zinc/85/66/51/463856651.db2.gz QGNSPKQSNNGLMA-NSHDSACASA-N -1 3 347.396 2.010 10 30 EEEEHM C=CCCOCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180216007 464267160 /nfs/dbraw/zinc/26/71/60/464267160.db2.gz YNWZCBNKSMCHJV-UHFFFAOYSA-N -1 3 348.808 2.428 10 30 EEEEHM C=CC[C@H](CO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189091504 464431799 /nfs/dbraw/zinc/43/17/99/464431799.db2.gz CNSOLXLFDQPHTK-MRXNPFEDSA-N -1 3 325.364 2.290 10 30 EEEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000295850540 464985181 /nfs/dbraw/zinc/98/51/81/464985181.db2.gz XCWXQQZURVZXAS-IUCAKERBSA-N -1 3 340.792 2.237 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000344584912 465696430 /nfs/dbraw/zinc/69/64/30/465696430.db2.gz DUUFIUFHOQKREK-UHFFFAOYSA-N -1 3 327.203 2.462 10 30 EEEEHM C=C[C@@H](CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)c1ccccc1 ZINC000550111318 468206879 /nfs/dbraw/zinc/20/68/79/468206879.db2.gz JVKBLZWXRXCFDU-DZGCQCFKSA-N -1 3 325.416 2.251 10 30 EEEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCc3ccc(C#N)cc3)cn21 ZINC000594795505 468689395 /nfs/dbraw/zinc/68/93/95/468689395.db2.gz OEFGOJWVPQYXRI-ZDUSSCGKSA-N -1 3 344.440 2.173 10 30 EEEEHM N#CC1(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000559823819 468756611 /nfs/dbraw/zinc/75/66/11/468756611.db2.gz GETODNDANXBFOH-UHFFFAOYSA-N -1 3 332.157 2.077 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)c(F)c1 ZINC000601517005 468903682 /nfs/dbraw/zinc/90/36/82/468903682.db2.gz NSGVIJHRUNSCTN-GOEBONIOSA-N -1 3 338.404 2.323 10 30 EEEEHM CN(C)Cc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1F ZINC000614297966 469902737 /nfs/dbraw/zinc/90/27/37/469902737.db2.gz UNGNYCPFGHGICX-UHFFFAOYSA-N -1 3 327.359 2.395 10 30 EEEEHM CC1(C(=O)C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CCCC1 ZINC000625547174 470163278 /nfs/dbraw/zinc/16/32/78/470163278.db2.gz MTTFRMAXNBHGGM-UHFFFAOYSA-N -1 3 338.404 2.266 10 30 EEEEHM C=C(C)[C@H]([N-]S(=O)(=O)C(COC)COC)c1ccc(F)c(F)c1 ZINC000641433076 470358525 /nfs/dbraw/zinc/35/85/25/470358525.db2.gz RIJRIBYNBONSQZ-HNNXBMFYSA-N -1 3 349.399 2.163 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)[C@H]1CCCO1 ZINC000773060362 577313487 /nfs/dbraw/zinc/31/34/87/577313487.db2.gz ZVGCMPUHRTWRPY-QWHCGFSZSA-N -1 3 331.796 2.247 10 30 EEEEHM C[C@@H](NCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)c1cccc(C#N)c1 ZINC000775335357 577435276 /nfs/dbraw/zinc/43/52/76/577435276.db2.gz IKZCGXJYZKGTPX-ZIAGYGMSSA-N -1 3 337.427 2.437 10 30 EEEEHM COc1ccc(CC2N=NC(=S)N2N=Cc2ccc([O-])cn2)cc1 ZINC000755606941 577827737 /nfs/dbraw/zinc/82/77/37/577827737.db2.gz VJPSVKMGOOHVKM-UHFFFAOYSA-N -1 3 341.396 2.149 10 30 EEEEHM CCCCCCN([O-])C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000904205259 694328476 /nfs/dbraw/zinc/32/84/76/694328476.db2.gz DURLADOLQKLKFP-UHFFFAOYSA-N -1 3 333.388 2.290 10 30 EEEEHM C=C1CC(C)(C(=O)NC[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC001745430130 1181881472 /nfs/dbraw/zinc/88/14/72/1181881472.db2.gz OSQRAIPDMCLIPE-AWEZNQCLSA-N -1 3 328.412 2.469 10 30 EEEEHM C=CCOc1ccc(CNCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000865868301 1198408796 /nfs/dbraw/zinc/40/87/96/1198408796.db2.gz XMLBBUBOHGPOIS-UHFFFAOYSA-N -1 3 327.384 2.110 10 30 EEEEHM N#CC(C(=O)Cn1ncc2cccnc21)=C([O-])C1(c2ccccc2)CC1 ZINC000873545586 1198637337 /nfs/dbraw/zinc/63/73/37/1198637337.db2.gz WXUDJWKHFVCNAV-MRXNPFEDSA-N -1 3 344.374 2.441 10 30 EEEEHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC001132959826 1200252205 /nfs/dbraw/zinc/25/22/05/1200252205.db2.gz KTLHXPDDHFGDBC-UHFFFAOYSA-N -1 3 334.238 2.401 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867515911 1201626038 /nfs/dbraw/zinc/62/60/38/1201626038.db2.gz QJLZSFTVJCYBEH-UHFFFAOYSA-N -1 3 347.849 2.216 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC ZINC000882645259 1201913257 /nfs/dbraw/zinc/91/32/57/1201913257.db2.gz OEUDTAYEJILHGW-HRCADAONSA-N -1 3 337.441 2.360 10 30 EEEEHM C=C(Cl)C[C@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)OCC ZINC001413416989 1236874626 /nfs/dbraw/zinc/87/46/26/1236874626.db2.gz QBHSMNCHLBXXEY-LBPRGKRZSA-N -1 3 349.774 2.140 10 30 EEEEHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867080017 1282486150 /nfs/dbraw/zinc/48/61/50/1282486150.db2.gz COSPPSMPWQPLLK-UHFFFAOYSA-N -1 3 330.822 2.173 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000851829252 1291867162 /nfs/dbraw/zinc/86/71/62/1291867162.db2.gz GKOGBPSXQYHLTM-ZDUSSCGKSA-N -1 3 331.796 2.186 10 30 EEEEHM CC1(c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)CCCC1 ZINC000858853356 1294245277 /nfs/dbraw/zinc/24/52/77/1294245277.db2.gz XKZJIIXAAYNJPZ-UHFFFAOYSA-N -1 3 346.412 2.140 10 30 EEEEHM Cn1[n-]ccc1=NN=C1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842529606 1315720776 /nfs/dbraw/zinc/72/07/76/1315720776.db2.gz DXFRQTSHMQQFDU-STQMWFEESA-N -1 3 333.436 2.277 10 30 EEEEHM C=CCC1(C(=O)N[C@H]2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001278619679 1317392008 /nfs/dbraw/zinc/39/20/08/1317392008.db2.gz YZVWOBRCHRNRKS-KBPBESRZSA-N -1 3 347.463 2.021 10 30 EEEEHM O=C(NCCCN(CC#Cc1ccccc1)C1CC1)c1ncccc1[O-] ZINC001266132768 1323703691 /nfs/dbraw/zinc/70/36/91/1323703691.db2.gz JDUHIBKUOVNUGC-UHFFFAOYSA-N -1 3 349.434 2.423 10 30 EEEEHM CC#CCCCC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001283954816 1326336071 /nfs/dbraw/zinc/33/60/71/1326336071.db2.gz AZOVKQIICMZXNH-INIZCTEOSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1nc(CNC(=O)C[C@@H](C)CC)cc(=O)[n-]1 ZINC001290364272 1328181794 /nfs/dbraw/zinc/18/17/94/1328181794.db2.gz KOIYFIHUNRBVOS-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM C#CC1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CCCC1 ZINC001337358990 1336689751 /nfs/dbraw/zinc/68/97/51/1336689751.db2.gz XBGTUQXBQSXRHU-UHFFFAOYSA-N -1 3 340.832 2.387 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(C)(F)CC1 ZINC001339880356 1337089728 /nfs/dbraw/zinc/08/97/28/1337089728.db2.gz OUZBINAORCRFRJ-UHFFFAOYSA-N -1 3 325.779 2.231 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(C)(F)CC1 ZINC001339880356 1337089729 /nfs/dbraw/zinc/08/97/29/1337089729.db2.gz OUZBINAORCRFRJ-UHFFFAOYSA-N -1 3 325.779 2.231 10 30 EEEEHM C=C[C@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347304653 1337502797 /nfs/dbraw/zinc/50/27/97/1337502797.db2.gz LICZPPZUZBQCIF-CVEARBPZSA-N -1 3 338.411 2.155 10 30 EEEEHM C=C[C@@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347304665 1337502969 /nfs/dbraw/zinc/50/29/69/1337502969.db2.gz LICZPPZUZBQCIF-JKSUJKDBSA-N -1 3 338.411 2.155 10 30 EEEEHM O=C(CC#Cc1ccccc1)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001353554090 1338279460 /nfs/dbraw/zinc/27/94/60/1338279460.db2.gz UHLVXPVNINWRMG-QAQDUYKDSA-N -1 3 348.402 2.211 10 30 EEEEHM C=CCn1ncc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC001598315593 1349937293 /nfs/dbraw/zinc/93/72/93/1349937293.db2.gz GTQQGJVAASJCBN-UHFFFAOYSA-N -1 3 339.311 2.483 10 30 EEEEHM CC#CCCCC(=O)N(C)CCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001698993743 1405208952 /nfs/dbraw/zinc/20/89/52/1405208952.db2.gz OMVMEKHZEOHYTO-UHFFFAOYSA-N -1 3 344.459 2.143 10 30 EEEEHM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000845859740 789967407 /nfs/dbraw/zinc/96/74/07/789967407.db2.gz PMCXCPGTSYODFL-LBPRGKRZSA-N -1 3 334.426 2.074 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F)C(C)(C)C ZINC000805146291 811158476 /nfs/dbraw/zinc/15/84/76/811158476.db2.gz BDRPOSZRDXIYQZ-AWEZNQCLSA-N -1 3 341.404 2.329 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCC[C@H]2CC)n1 ZINC001479608976 1098631664 /nfs/dbraw/zinc/63/16/64/1098631664.db2.gz RAACLPTVEAZAMW-ZBFHGGJFSA-N -1 3 344.459 2.128 10 30 EEEEHM N#Cc1csc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n1 ZINC001456472788 1109187142 /nfs/dbraw/zinc/18/71/42/1109187142.db2.gz CVSZFGYLTNSYGS-UHFFFAOYSA-N -1 3 346.318 2.064 10 30 EEEEHM CC(=O)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1[O-] ZINC001466720214 1110442038 /nfs/dbraw/zinc/44/20/38/1110442038.db2.gz WSFNRSDCMHYFIX-UHFFFAOYSA-N -1 3 347.334 2.299 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)C3(C#N)CC4(CC4)C3)c2c1=O ZINC001472584986 1110559795 /nfs/dbraw/zinc/55/97/95/1110559795.db2.gz IPADRLDVDCEHFK-UHFFFAOYSA-N -1 3 325.372 2.075 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001520596849 1119179290 /nfs/dbraw/zinc/17/92/90/1119179290.db2.gz SRSZXIWQJDFKJL-RKDXNWHRSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001520596849 1119179291 /nfs/dbraw/zinc/17/92/91/1119179291.db2.gz SRSZXIWQJDFKJL-RKDXNWHRSA-N -1 3 339.856 2.233 10 30 EEEEHM C=C(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001522067037 1119312517 /nfs/dbraw/zinc/31/25/17/1119312517.db2.gz BGKNDNNSFJNKGD-LJQANCHMSA-N -1 3 346.427 2.096 10 30 EEEEHM C#CCC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001527089484 1120656290 /nfs/dbraw/zinc/65/62/90/1120656290.db2.gz LLLQTRGBHRWCDL-HNNXBMFYSA-N -1 3 340.423 2.164 10 30 EEEEHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344778619 161244934 /nfs/dbraw/zinc/24/49/34/161244934.db2.gz VETHMUGSCKQJSC-CYBMUJFWSA-N -1 3 336.344 2.265 10 30 EEEEHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1OCCO ZINC000360288027 164275308 /nfs/dbraw/zinc/27/53/08/164275308.db2.gz ZTYGKHWRKITDIY-UHFFFAOYSA-N -1 3 346.408 2.347 10 30 EEEEHM CCCc1c([N-]S(=O)(=O)N2CCC2)cnn1-c1cccc(C#N)c1 ZINC000375652100 167175384 /nfs/dbraw/zinc/17/53/84/167175384.db2.gz JWWXLEWAWDAXBM-UHFFFAOYSA-N -1 3 345.428 2.059 10 30 EEEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000553867278 318542114 /nfs/dbraw/zinc/54/21/14/318542114.db2.gz VOLQIIXNXZGVAJ-WOFXILAISA-N -1 3 341.230 2.398 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000156407291 463020229 /nfs/dbraw/zinc/02/02/29/463020229.db2.gz UYZIIPVUWVGZTG-UHFFFAOYSA-N -1 3 337.382 2.049 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000186665340 464044866 /nfs/dbraw/zinc/04/48/66/464044866.db2.gz PHCJBDAHPVRJKM-MRVPVSSYSA-N -1 3 340.228 2.217 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000280567477 464218812 /nfs/dbraw/zinc/21/88/12/464218812.db2.gz LATCNPSLSYBBAD-OAHLLOKOSA-N -1 3 336.457 2.213 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000281549956 464498578 /nfs/dbraw/zinc/49/85/78/464498578.db2.gz STQQIVOFYCXNLE-LLVKDONJSA-N -1 3 331.821 2.148 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)N2Cc3cccc(C#N)c3C2)c([O-])c1 ZINC000593888394 468422006 /nfs/dbraw/zinc/42/20/06/468422006.db2.gz LEQWTICEVFQJKA-UHFFFAOYSA-N -1 3 349.390 2.235 10 30 EEEEHM Cc1ccnc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)C2CC2)n1 ZINC000349452612 466114366 /nfs/dbraw/zinc/11/43/66/466114366.db2.gz WGRDZZWEKXVTPC-OAHLLOKOSA-N -1 3 346.387 2.225 10 30 EEEEHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)CCC2 ZINC000376985166 466988064 /nfs/dbraw/zinc/98/80/64/466988064.db2.gz KCHIZBWYNFEKNQ-NSHDSACASA-N -1 3 334.426 2.074 10 30 EEEEHM CC(C)(F)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601476300 468889973 /nfs/dbraw/zinc/88/99/73/468889973.db2.gz NRGOXYICCLYMIY-UHFFFAOYSA-N -1 3 335.198 2.347 10 30 EEEEHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C[C@@H]1OC ZINC000593565965 469038695 /nfs/dbraw/zinc/03/86/95/469038695.db2.gz LDAZYWSKEUBIQX-OLZOCXBDSA-N -1 3 328.459 2.492 10 30 EEEEHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C#N)ccn3)s2)cc1 ZINC000588355377 469142487 /nfs/dbraw/zinc/14/24/87/469142487.db2.gz CKEHICARDZGKKU-UHFFFAOYSA-N -1 3 335.392 2.956 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCC12CC2 ZINC000599521222 469282820 /nfs/dbraw/zinc/28/28/20/469282820.db2.gz SRHQUXXIYGXYCM-NSHDSACASA-N -1 3 335.385 2.325 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000628314989 470090281 /nfs/dbraw/zinc/09/02/81/470090281.db2.gz VDMWINZNLTYYPZ-GOSISDBHSA-N -1 3 329.400 2.073 10 30 EEEEHM C=CCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000109875457 526848873 /nfs/dbraw/zinc/84/88/73/526848873.db2.gz KUYLTCFPVONWRS-UHFFFAOYSA-N -1 3 335.367 2.362 10 30 EEEEHM C=CCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000109875457 526848878 /nfs/dbraw/zinc/84/88/78/526848878.db2.gz KUYLTCFPVONWRS-UHFFFAOYSA-N -1 3 335.367 2.362 10 30 EEEEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000192990109 527812624 /nfs/dbraw/zinc/81/26/24/527812624.db2.gz HGILLKURSHNFAD-ZDUSSCGKSA-N -1 3 344.820 2.167 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744033901 577892387 /nfs/dbraw/zinc/89/23/87/577892387.db2.gz YLMSORCVJOIAOK-WSVPDTOYSA-N -1 3 326.352 2.477 10 30 EEEEHM CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CCCN([O-])C2=O)s1 ZINC000895157969 684146436 /nfs/dbraw/zinc/14/64/36/684146436.db2.gz VAFRJAFJDZOAQB-LLVKDONJSA-N -1 3 326.418 2.173 10 30 EEEEHM C=CCOc1cccc(CN[C@H](C)c2n[n-]c(C(=O)OCC)n2)c1 ZINC000895237150 684347802 /nfs/dbraw/zinc/34/78/02/684347802.db2.gz RGEKJVVFRPEMFB-GFCCVEGCSA-N -1 3 330.388 2.397 10 30 EEEEHM C=CCOc1cccc(CN[C@H](C)c2nnc(C(=O)OCC)[n-]2)c1 ZINC000895237150 684347806 /nfs/dbraw/zinc/34/78/06/684347806.db2.gz RGEKJVVFRPEMFB-GFCCVEGCSA-N -1 3 330.388 2.397 10 30 EEEEHM C#CCCCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866955280 689623569 /nfs/dbraw/zinc/62/35/69/689623569.db2.gz RHSQGHNVQFXMNT-UHFFFAOYSA-N -1 3 329.834 2.427 10 30 EEEEHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1ccc(O)cc1 ZINC000904196990 694325952 /nfs/dbraw/zinc/32/59/52/694325952.db2.gz NFLWTVVWEXXXAR-UHFFFAOYSA-N -1 3 342.395 2.363 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCCC1CCOCC1)C(=O)OCC ZINC000882645244 1201912983 /nfs/dbraw/zinc/91/29/83/1201912983.db2.gz NMECKPIDTXHDOD-OAHLLOKOSA-N -1 3 347.477 2.011 10 30 EEEEHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ccns1)C(C)C ZINC000885122999 1202392758 /nfs/dbraw/zinc/39/27/58/1202392758.db2.gz DLAZDMLIDGCGID-ZDUSSCGKSA-N -1 3 329.491 2.120 10 30 EEEEHM C#C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C1CCOCC1 ZINC000856108714 1293408076 /nfs/dbraw/zinc/40/80/76/1293408076.db2.gz KOWNUANEBNXBQT-OAHLLOKOSA-N -1 3 337.322 2.015 10 30 EEEEHM N#Cc1ccc(Cn2cc(NC(=O)c3cccc(O)c3[O-])cn2)cc1 ZINC001152376891 1316663962 /nfs/dbraw/zinc/66/39/62/1316663962.db2.gz CPBVDKAMIMTGST-UHFFFAOYSA-N -1 3 334.335 2.467 10 30 EEEEHM C=CC(C)(C)C(=O)N[C@H](C)C1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001276413325 1321916109 /nfs/dbraw/zinc/91/61/09/1321916109.db2.gz CHGVOPKLQAIRSU-GFCCVEGCSA-N -1 3 344.459 2.208 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@]1(NC(=O)c2cn[n-]n2)CCCC[C@@H]1C ZINC001285152182 1326891202 /nfs/dbraw/zinc/89/12/02/1326891202.db2.gz TZOWQUBAJFYHIH-SCLBCKFNSA-N -1 3 347.463 2.202 10 30 EEEEHM C#CCCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001285405768 1326986287 /nfs/dbraw/zinc/98/62/87/1326986287.db2.gz ZPSXIGOLRDBXCJ-HOCLYGCPSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001290752865 1328258340 /nfs/dbraw/zinc/25/83/40/1328258340.db2.gz AJYMOCCHPYHGFH-UONOGXRCSA-N -1 3 347.463 2.154 10 30 EEEEHM C=CC1(CC(=O)NCC[C@@H](C)NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001317409893 1332217739 /nfs/dbraw/zinc/21/77/39/1332217739.db2.gz XVXLIFWSVLWOTH-CYBMUJFWSA-N -1 3 335.452 2.021 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001338897315 1336928583 /nfs/dbraw/zinc/92/85/83/1336928583.db2.gz XSDRQAIAFCAEKO-UGSOOPFHSA-N -1 3 348.447 2.045 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNC(=O)[C@@H](C)CC)cc(=O)[n-]1 ZINC001344651443 1337407042 /nfs/dbraw/zinc/40/70/42/1337407042.db2.gz RGKZNKAAQDRLLU-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000848295281 1338650253 /nfs/dbraw/zinc/65/02/53/1338650253.db2.gz ZHAFQFWEFPJVIY-UHFFFAOYSA-N -1 3 345.374 2.350 10 30 EEEEHM C=CCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000848295281 1338650255 /nfs/dbraw/zinc/65/02/55/1338650255.db2.gz ZHAFQFWEFPJVIY-UHFFFAOYSA-N -1 3 345.374 2.350 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(CC#N)cc3)c2c1=O ZINC001611487120 1352301730 /nfs/dbraw/zinc/30/17/30/1352301730.db2.gz MQQWKDVHBHKJNQ-UHFFFAOYSA-N -1 3 335.367 2.371 10 30 EEEEHM C#CCCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001572031823 1343364933 /nfs/dbraw/zinc/36/49/33/1343364933.db2.gz RWDZAZDVKRQHRV-LSDHHAIUSA-N -1 3 328.412 2.353 10 30 EEEEHM O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572421110 1343487110 /nfs/dbraw/zinc/48/71/10/1343487110.db2.gz UEDVIAQPTBUPGY-YLJYHZDGSA-N -1 3 338.407 2.059 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)CC)n1 ZINC001573247461 1343623892 /nfs/dbraw/zinc/62/38/92/1343623892.db2.gz CZOJTEXQYBTMIF-XIKOKIGWSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCC1(C(=O)NCC2CN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001582253798 1344718987 /nfs/dbraw/zinc/71/89/87/1344718987.db2.gz MVYUUDVLNAGKBO-UHFFFAOYSA-N -1 3 328.412 2.327 10 30 EEEEHM C#Cc1ccccc1CC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001646270351 1352824931 /nfs/dbraw/zinc/82/49/31/1352824931.db2.gz GHVNZZBKECYURX-UHFFFAOYSA-N -1 3 339.347 2.350 10 30 EEEEHM Cn1ncc2c1nc(SCCOc1cccc(C#N)c1)[n-]c2=O ZINC001652099982 1354077780 /nfs/dbraw/zinc/07/77/80/1354077780.db2.gz MAKTVUBUPWEACX-UHFFFAOYSA-N -1 3 327.369 2.112 10 30 EEEEHM C=CCn1nnnc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001656237316 1354217790 /nfs/dbraw/zinc/21/77/90/1354217790.db2.gz UBXPFUJSGYJPMF-UHFFFAOYSA-N -1 3 326.385 2.314 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)[C@@H]1CCCO1 ZINC001661508915 1354647129 /nfs/dbraw/zinc/64/71/29/1354647129.db2.gz JRDZIHBWFYFKOY-KGLIPLIRSA-N -1 3 348.449 2.269 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)OCC ZINC000918543585 769190445 /nfs/dbraw/zinc/19/04/45/769190445.db2.gz IFWGZOGOGMPFAV-SNVBAGLBSA-N -1 3 347.811 2.416 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000820179457 785825011 /nfs/dbraw/zinc/82/50/11/785825011.db2.gz LEYYVEMPCJKOJQ-CQSZACIVSA-N -1 3 348.305 2.477 10 30 EEEEHM N#CC(C(=O)COC1CCOCC1)=C([O-])C1(c2ccccc2)CC1 ZINC000845839854 789965762 /nfs/dbraw/zinc/96/57/62/789965762.db2.gz XLWRGPVQSCJDHW-INIZCTEOSA-N -1 3 327.380 2.192 10 30 EEEEHM COc1cc(OC)c(C/N=C\c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000915981877 797465654 /nfs/dbraw/zinc/46/56/54/797465654.db2.gz YLKAEUAGFRKTOZ-UWVJOHFNSA-N -1 3 346.383 2.233 10 30 EEEEHM O=Cc1ccc(OC(F)(F)C(=O)[N-]CC#C[C@@H]2CCCCO2)cc1 ZINC001180363066 800399259 /nfs/dbraw/zinc/39/92/59/800399259.db2.gz OHYHXOBATLEWPZ-AWEZNQCLSA-N -1 3 337.322 2.159 10 30 EEEEHM CCCCCCN([O-])C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC001184305846 801963886 /nfs/dbraw/zinc/96/38/86/801963886.db2.gz TZTITUCPOVYBKF-UHFFFAOYSA-N -1 3 332.404 2.481 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(C#N)oc3C)c2c1=O ZINC001472585947 1110560223 /nfs/dbraw/zinc/56/02/23/1110560223.db2.gz YTFPTAOTAWHIFZ-UHFFFAOYSA-N -1 3 325.328 2.078 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001500238348 1112695972 /nfs/dbraw/zinc/69/59/72/1112695972.db2.gz SZGGKJVEORRIIZ-GFCCVEGCSA-N -1 3 343.431 2.042 10 30 EEEEHM C=CC(C)(C)CC(=O)NCCCN(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001523882331 1119909063 /nfs/dbraw/zinc/90/90/63/1119909063.db2.gz GHDJXUMVSURTIP-UHFFFAOYSA-N -1 3 348.447 2.061 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001532430422 1122742967 /nfs/dbraw/zinc/74/29/67/1122742967.db2.gz MCRDGRNEGYDONK-OAHLLOKOSA-N -1 3 330.428 2.312 10 30 EEEEHM CC(C)C#CC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001536681939 1123772162 /nfs/dbraw/zinc/77/21/62/1123772162.db2.gz OJAGGFIPYANOHN-QGZVFWFLSA-N -1 3 342.439 2.456 10 30 EEEEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416373933 239208692 /nfs/dbraw/zinc/20/86/92/239208692.db2.gz PJOKUOZEXAFRSD-WPRPVWTQSA-N -1 3 329.219 2.255 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000443502755 242119546 /nfs/dbraw/zinc/11/95/46/242119546.db2.gz SQLLZBZBEKAHCH-VIFPVBQESA-N -1 3 345.327 2.323 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1C#N ZINC000344737014 161241292 /nfs/dbraw/zinc/24/12/92/161241292.db2.gz XNFVXUAOLBJDDP-ZDUSSCGKSA-N -1 3 348.472 2.231 10 30 EEEEHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)cs1 ZINC000544724606 468402017 /nfs/dbraw/zinc/40/20/17/468402017.db2.gz WTCQEPSJFMMFOZ-LLVKDONJSA-N -1 3 343.474 2.354 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCCOC1 ZINC000600172662 468483479 /nfs/dbraw/zinc/48/34/79/468483479.db2.gz LRYVOTPWYVVDMJ-AWEZNQCLSA-N -1 3 331.416 2.141 10 30 EEEEHM CC#CC[N-]C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000368552964 466667271 /nfs/dbraw/zinc/66/72/71/466667271.db2.gz MTMNDOSXEAHYOW-UHFFFAOYSA-N -1 3 330.375 2.408 10 30 EEEEHM C=C[C@@H]1CCCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000428047905 467198353 /nfs/dbraw/zinc/19/83/53/467198353.db2.gz ZYNCSHMDBHKZLF-QWHCGFSZSA-N -1 3 340.420 2.060 10 30 EEEEHM N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000452562319 467392224 /nfs/dbraw/zinc/39/22/24/467392224.db2.gz PDDPFGIACJGRDT-OFQRWUPVSA-N -1 3 341.411 2.195 10 30 EEEEHM COC1CCC(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000443362516 467579581 /nfs/dbraw/zinc/57/95/81/467579581.db2.gz QBSXIPRANFPKOC-UHFFFAOYSA-N -1 3 326.393 2.181 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000567694963 468186124 /nfs/dbraw/zinc/18/61/24/468186124.db2.gz JYYXBZFROKMBER-XPTSAGLGSA-N -1 3 334.322 2.127 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)CNC(=O)c3ccc([O-])cc3)CCC2)cc1 ZINC000594422608 468581641 /nfs/dbraw/zinc/58/16/41/468581641.db2.gz MHNFRUZNIZGTOK-UHFFFAOYSA-N -1 3 349.390 2.189 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)[C@H]1OCCc2sccc21 ZINC000583298805 468673917 /nfs/dbraw/zinc/67/39/17/468673917.db2.gz IXJSRHYIYGRQEF-BXUZGUMPSA-N -1 3 340.470 2.364 10 30 EEEEHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccoc3)CCOCC2)c1 ZINC000594863229 468711526 /nfs/dbraw/zinc/71/15/26/468711526.db2.gz NCPYEXXHDFJZLN-UHFFFAOYSA-N -1 3 332.381 2.135 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@@H](C)COC1CCCC1)C(=O)OC ZINC000601502420 468897566 /nfs/dbraw/zinc/89/75/66/468897566.db2.gz VDZXGIPKEACBFM-ZFWWWQNUSA-N -1 3 347.477 2.009 10 30 EEEEHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593530279 469019386 /nfs/dbraw/zinc/01/93/86/469019386.db2.gz JGALLCCTIUGGIQ-NEPJUHHUSA-N -1 3 328.459 2.493 10 30 EEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)N1CCC(C)CC1 ZINC000593536257 469022824 /nfs/dbraw/zinc/02/28/24/469022824.db2.gz OYVXBMBMZBJPKC-LBPRGKRZSA-N -1 3 327.475 2.018 10 30 EEEEHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593552441 469031567 /nfs/dbraw/zinc/03/15/67/469031567.db2.gz GFFLCNNJSMQXIL-DGCLKSJQSA-N -1 3 336.438 2.063 10 30 EEEEHM C[C@]1(C#N)CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000595841482 469036699 /nfs/dbraw/zinc/03/66/99/469036699.db2.gz VFIXTKLNGHYRRV-GOSISDBHSA-N -1 3 334.383 2.257 10 30 EEEEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000593563031 469037275 /nfs/dbraw/zinc/03/72/75/469037275.db2.gz KKOHCCLXTNHVDZ-SNVBAGLBSA-N -1 3 334.401 2.219 10 30 EEEEHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593565969 469038922 /nfs/dbraw/zinc/03/89/22/469038922.db2.gz LDAZYWSKEUBIQX-QWHCGFSZSA-N -1 3 328.459 2.492 10 30 EEEEHM Cc1cc(S(=O)(=O)[N-]C2CCN(CC#N)CC2)c(Cl)cc1F ZINC000610758120 469064060 /nfs/dbraw/zinc/06/40/60/469064060.db2.gz SYUVSXWZSKRBJU-UHFFFAOYSA-N -1 3 345.827 2.054 10 30 EEEEHM CC#CC[C@H](CO)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651756361 471105501 /nfs/dbraw/zinc/10/55/01/471105501.db2.gz SXILPJJMVSVWET-SECBINFHSA-N -1 3 342.269 2.249 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)c1 ZINC000765587119 577503583 /nfs/dbraw/zinc/50/35/83/577503583.db2.gz LHGWFGFUTGHQBU-INIZCTEOSA-N -1 3 339.351 2.198 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)c1 ZINC000765589933 577503621 /nfs/dbraw/zinc/50/36/21/577503621.db2.gz KUSDUIKNAWNLQR-MRXNPFEDSA-N -1 3 339.351 2.198 10 30 EEEEHM Cc1ncc(CO)c(/C=N/CC[C@@H]2COc3ccccc3O2)c1[O-] ZINC000764413325 577735520 /nfs/dbraw/zinc/73/55/20/577735520.db2.gz IAHFNINGLNPQHK-MRGVZLDZSA-N -1 3 328.368 2.237 10 30 EEEEHM C=CCC1(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)CCCC1 ZINC000899494315 693764571 /nfs/dbraw/zinc/76/45/71/693764571.db2.gz CPUBUVYLKHCTJR-UHFFFAOYSA-N -1 3 330.432 2.276 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001267210285 1178504958 /nfs/dbraw/zinc/50/49/58/1178504958.db2.gz DFQAXFGPOGNMNW-UHFFFAOYSA-N -1 3 332.448 2.210 10 30 EEEEHM Cc1nc2c(Cl)cccc2cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000868562040 1201835532 /nfs/dbraw/zinc/83/55/32/1201835532.db2.gz BSLFIGJOASUEFO-ZDUSSCGKSA-N -1 3 333.775 2.307 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNC[C@@H](F)CC)cc(=O)[n-]1 ZINC001264026731 1322587443 /nfs/dbraw/zinc/58/74/43/1322587443.db2.gz IFGXZJNYIAVNAJ-LBPRGKRZSA-N -1 3 338.427 2.238 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCCCC[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001281567550 1325294827 /nfs/dbraw/zinc/29/48/27/1325294827.db2.gz DTCIGKAESIHWEG-CYBMUJFWSA-N -1 3 348.447 2.189 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001283418142 1326059165 /nfs/dbraw/zinc/05/91/65/1326059165.db2.gz TVMZQCJTLRLDBN-CQSZACIVSA-N -1 3 346.427 2.094 10 30 EEEEHM C#CCCCCC(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001284657035 1326648916 /nfs/dbraw/zinc/64/89/16/1326648916.db2.gz QCHUMBJOAIONIK-OAHLLOKOSA-N -1 3 328.412 2.307 10 30 EEEEHM C#CCC1(C(=O)NC[C@@H](C)CNC(=O)c2ccccc2[O-])CCC1 ZINC001285207566 1326914273 /nfs/dbraw/zinc/91/42/73/1326914273.db2.gz INSGDWATFJUAEI-AWEZNQCLSA-N -1 3 328.412 2.068 10 30 EEEEHM C=CCOCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001337900823 1336750912 /nfs/dbraw/zinc/75/09/12/1336750912.db2.gz ZXYVGCHISOYVSG-HOCLYGCPSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001339091075 1336957379 /nfs/dbraw/zinc/95/73/79/1336957379.db2.gz KPFMZUNJAAYQIA-CQSZACIVSA-N -1 3 332.799 2.033 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001339091075 1336957380 /nfs/dbraw/zinc/95/73/80/1336957380.db2.gz KPFMZUNJAAYQIA-CQSZACIVSA-N -1 3 332.799 2.033 10 30 EEEEHM C[C@H](C#N)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001429989954 1340082016 /nfs/dbraw/zinc/08/20/16/1340082016.db2.gz ILWNBGWKAUKQCP-CJNGLKHVSA-N -1 3 337.379 2.139 10 30 EEEEHM O=C(CN1C(=O)c2ccccc2C1=O)N([O-])Cc1ccccc1Cl ZINC001559032596 1342496085 /nfs/dbraw/zinc/49/60/85/1342496085.db2.gz BDHBTQLHWKLUOF-UHFFFAOYSA-N -1 3 344.754 2.354 10 30 EEEEHM C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC001582273089 1344723249 /nfs/dbraw/zinc/72/32/49/1344723249.db2.gz VHXSSERIBGDXQG-KBPBESRZSA-N -1 3 328.412 2.420 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccccc2)CC2(CCC2)C1 ZINC001628548314 1352537076 /nfs/dbraw/zinc/53/70/76/1352537076.db2.gz VDQTWZCEKBGSSE-OAHLLOKOSA-N -1 3 328.412 2.385 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2c(C)nn3cccnc23)CCCCC1 ZINC001664421604 1355160014 /nfs/dbraw/zinc/16/00/14/1355160014.db2.gz CBZNBEUMBOMZHZ-UHFFFAOYSA-N -1 3 332.429 2.042 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNC(=O)C(C)(C)C)cc(=O)[n-]1 ZINC001684815565 1358281908 /nfs/dbraw/zinc/28/19/08/1358281908.db2.gz MJPGTYXCXNFMMG-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000816696408 784202410 /nfs/dbraw/zinc/20/24/10/784202410.db2.gz YALMDDOSVQMWPV-GRYCIOLGSA-N -1 3 329.183 2.203 10 30 EEEEHM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908740952 785680648 /nfs/dbraw/zinc/68/06/48/785680648.db2.gz CCBJOBTYPMOXMV-ZIAGYGMSSA-N -1 3 339.823 2.184 10 30 EEEEHM Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCN([O-])C3=O)c2C(C)C)cc1 ZINC000820185413 785828074 /nfs/dbraw/zinc/82/80/74/785828074.db2.gz ODCZIXHUIQZBBT-OAHLLOKOSA-N -1 3 342.399 2.024 10 30 EEEEHM C=CCN1CCC(NC(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])CC1 ZINC000908946209 785868943 /nfs/dbraw/zinc/86/89/43/785868943.db2.gz PSFCNUSTBAOYKL-KRWDZBQOSA-N -1 3 343.427 2.171 10 30 EEEEHM CSCCO[N-]C(=O)Cc1ccc(Br)cc1C#N ZINC000846054678 790039514 /nfs/dbraw/zinc/03/95/14/790039514.db2.gz OWGVVHDYBWQKKR-UHFFFAOYSA-N -1 3 329.219 2.274 10 30 EEEEHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(=O)OC ZINC001171469260 796607448 /nfs/dbraw/zinc/60/74/48/796607448.db2.gz GHDJZNCBSIKXNB-CYBMUJFWSA-N -1 3 341.310 2.095 10 30 EEEEHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cn2ccccc2n1 ZINC000788428339 807511499 /nfs/dbraw/zinc/51/14/99/807511499.db2.gz NIPUNAMTQSRZLO-UHFFFAOYSA-N -1 3 342.424 2.220 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC001458012454 1109822079 /nfs/dbraw/zinc/82/20/79/1109822079.db2.gz WADWPBFLACNIFN-LBPRGKRZSA-N -1 3 346.424 2.291 10 30 EEEEHM Cc1nsc([N-]C(=O)c2csc(-c3cnccn3)n2)c1C#N ZINC001459423387 1110174811 /nfs/dbraw/zinc/17/48/11/1110174811.db2.gz JAGNGOAZSSTTTO-UHFFFAOYSA-N -1 3 328.382 2.489 10 30 EEEEHM C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1ccccc1[O-])C(C)C ZINC001475200808 1110608306 /nfs/dbraw/zinc/60/83/06/1110608306.db2.gz NFHDEDCGAZVENW-HNNXBMFYSA-N -1 3 338.473 2.369 10 30 EEEEHM C=C(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001522067033 1119312641 /nfs/dbraw/zinc/31/26/41/1119312641.db2.gz BGKNDNNSFJNKGD-IBGZPJMESA-N -1 3 346.427 2.096 10 30 EEEEHM N#Cc1nnn(Cc2ccccc2)c1[N-]C(=O)c1ocnc1C(F)F ZINC001531919744 1122605497 /nfs/dbraw/zinc/60/54/97/1122605497.db2.gz PKOQIUKUKMLINO-UHFFFAOYSA-N -1 3 344.281 2.376 10 30 EEEEHM O=C([N-]C/C=C\CNCc1c(F)c(F)c(F)c(F)c1F)C(F)F ZINC001568805415 1124821488 /nfs/dbraw/zinc/82/14/88/1124821488.db2.gz PRBWRYMVEPJGJW-UPHRSURJSA-N -1 3 344.230 2.409 10 30 EEEEHM O=S(=O)([N-]Cc1ccccc1C#CCO)c1ccc(Cl)s1 ZINC000049590698 214021129 /nfs/dbraw/zinc/02/11/29/214021129.db2.gz FLNGZIKWROTKQG-UHFFFAOYSA-N -1 3 341.841 2.224 10 30 EEEEHM C[C@]1(C[C@@H]2CCCN2c2cc(C#N)c3ccccc3n2)NC(=O)[N-]C1=O ZINC000553634939 468374637 /nfs/dbraw/zinc/37/46/37/468374637.db2.gz FJJODACWUYWFLL-ORAYPTAESA-N -1 3 349.394 2.063 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2Cc3ccccc3[C@H]2O)c(Cl)c1 ZINC000183698971 464899487 /nfs/dbraw/zinc/89/94/87/464899487.db2.gz NGJHOTGNICWJLH-GOEBONIOSA-N -1 3 348.811 2.148 10 30 EEEEHM C=C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000362597980 465868542 /nfs/dbraw/zinc/86/85/42/465868542.db2.gz BBZRQAVJEQJPSW-SNVBAGLBSA-N -1 3 340.426 2.124 10 30 EEEEHM C=CCOc1cccnc1C(=O)[N-]c1nnc(-c2c[nH]nc2C)s1 ZINC000444482287 467582825 /nfs/dbraw/zinc/58/28/25/467582825.db2.gz QJNVQCGEYIAOBM-UHFFFAOYSA-N -1 3 342.384 2.449 10 30 EEEEHM COC1CCC(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000531408594 468050444 /nfs/dbraw/zinc/05/04/44/468050444.db2.gz UILOLWASMJHMEE-UHFFFAOYSA-N -1 3 326.393 2.181 10 30 EEEEHM C=CCCCS(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000489812929 468168231 /nfs/dbraw/zinc/16/82/31/468168231.db2.gz NHARZQQSECXCMR-UHFFFAOYSA-N -1 3 325.365 2.261 10 30 EEEEHM CCn1cc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)nc1C ZINC000594482312 468603168 /nfs/dbraw/zinc/60/31/68/468603168.db2.gz UQNALSGKIVLZDE-UHFFFAOYSA-N -1 3 344.440 2.441 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1ccc(F)cc1 ZINC000600667367 468614708 /nfs/dbraw/zinc/61/47/08/468614708.db2.gz BAXRCFYISVCIMW-ZIAGYGMSSA-N -1 3 328.409 2.371 10 30 EEEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000595353726 468822788 /nfs/dbraw/zinc/82/27/88/468822788.db2.gz LNKDWJZSGKJYLS-JKSUJKDBSA-N -1 3 336.457 2.358 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOCC1 ZINC000601465470 468886875 /nfs/dbraw/zinc/88/68/75/468886875.db2.gz TUNHFKRICLHTPV-UHFFFAOYSA-N -1 3 346.430 2.368 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000593550511 469029487 /nfs/dbraw/zinc/02/94/87/469029487.db2.gz DLSMTCZRMINSKT-ZDUSSCGKSA-N -1 3 336.438 2.412 10 30 EEEEHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593574746 469042614 /nfs/dbraw/zinc/04/26/14/469042614.db2.gz CJJHVEQLDPGOEM-UHFFFAOYSA-N -1 3 336.442 2.126 10 30 EEEEHM C[C@@]1(C[N-]S(=O)(=O)c2ccsc2C#N)CCO[C@H]1C1CC1 ZINC000593579350 469045351 /nfs/dbraw/zinc/04/53/51/469045351.db2.gz WJWOVOUERFVRNJ-KBPBESRZSA-N -1 3 326.443 2.103 10 30 EEEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1(CO)CC=CC1 ZINC000593612920 469060236 /nfs/dbraw/zinc/06/02/36/469060236.db2.gz JOSOWNAFVBABFT-CQSZACIVSA-N -1 3 340.470 2.251 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000599484737 469273227 /nfs/dbraw/zinc/27/32/27/469273227.db2.gz ZBFVKFOOQRPAAO-YPMHNXCESA-N -1 3 326.805 2.057 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625371221 470129558 /nfs/dbraw/zinc/12/95/58/470129558.db2.gz ORDRAYOFESIEFM-DGCLKSJQSA-N -1 3 335.347 2.417 10 30 EEEEHM COC(=O)[C@H](OC(=O)c1c([O-])cccc1F)c1ccc(C#N)cc1 ZINC000772597947 577284721 /nfs/dbraw/zinc/28/47/21/577284721.db2.gz VMLHJPGQVOOLCL-OAHLLOKOSA-N -1 3 329.283 2.474 10 30 EEEEHM Cc1ccc2c(c1)C(N=Nc1nc3c(cnn3C)c(=O)[n-]1)CCCO2 ZINC000769818186 577585225 /nfs/dbraw/zinc/58/52/25/577585225.db2.gz RBPSTVDUEGWAFW-UHFFFAOYSA-N -1 3 338.371 2.366 10 30 EEEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C2=COCCC2)cc1OC ZINC000744032772 577892316 /nfs/dbraw/zinc/89/23/16/577892316.db2.gz NZGBYGHABCZSFJ-CYBMUJFWSA-N -1 3 330.340 2.045 10 30 EEEEHM C=CCCCCCCNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894833217 683163396 /nfs/dbraw/zinc/16/33/96/683163396.db2.gz QKQCJRHUYJKMOY-AWEZNQCLSA-N -1 3 333.436 2.197 10 30 EEEEHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177481 694321586 /nfs/dbraw/zinc/32/15/86/694321586.db2.gz FCKSTEYCHLIDOH-UHFFFAOYSA-N -1 3 340.395 2.253 10 30 EEEEHM NC(=O)c1ccc(OCC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC000904201304 694327332 /nfs/dbraw/zinc/32/73/32/694327332.db2.gz MMAWPNBMNMQAND-UHFFFAOYSA-N -1 3 342.395 2.405 10 30 EEEEHM CCCCCCCC[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001649135565 1197740374 /nfs/dbraw/zinc/74/03/74/1197740374.db2.gz WPCXOVZXKUSFOV-AWEZNQCLSA-N -1 3 346.427 2.412 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@@H](Cc1cc2ccccc2o1)C(=O)OC ZINC000885766017 1294418881 /nfs/dbraw/zinc/41/88/81/1294418881.db2.gz KMSFDXRWQAFFQV-AWEZNQCLSA-N -1 3 337.397 2.012 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001159331393 1319741978 /nfs/dbraw/zinc/74/19/78/1319741978.db2.gz GMLBWUDJEJRNAP-CYBMUJFWSA-N -1 3 347.758 2.247 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001281182671 1324835517 /nfs/dbraw/zinc/83/55/17/1324835517.db2.gz BQYMTWGEKSNAMK-PXNSSMCTSA-N -1 3 340.423 2.305 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001281313279 1324956520 /nfs/dbraw/zinc/95/65/20/1324956520.db2.gz XRHKRHCXGCAFJQ-OCCSQVGLSA-N -1 3 348.447 2.045 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N[C@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001284434040 1326553823 /nfs/dbraw/zinc/55/38/23/1326553823.db2.gz VRAOXPGOGORNJY-OLZOCXBDSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCOCC(=O)NC1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001285415200 1326991023 /nfs/dbraw/zinc/99/10/23/1326991023.db2.gz ILUNOUMGJLJAAN-UHFFFAOYSA-N -1 3 346.427 2.094 10 30 EEEEHM CCCC[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)C ZINC001286078710 1327279172 /nfs/dbraw/zinc/27/91/72/1327279172.db2.gz ZQJUZRZWDDTQRE-HNNXBMFYSA-N -1 3 330.428 2.456 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc2ccc(Br)cc2c1 ZINC001298428014 1330077015 /nfs/dbraw/zinc/07/70/15/1330077015.db2.gz ZZYYLSDHMMRYEL-CYBMUJFWSA-N -1 3 349.184 2.322 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001340733527 1337237658 /nfs/dbraw/zinc/23/76/58/1337237658.db2.gz QLCBCXVRSGOSNV-UWVGGRQHSA-N -1 3 332.799 2.031 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001340733527 1337237660 /nfs/dbraw/zinc/23/76/60/1337237660.db2.gz QLCBCXVRSGOSNV-UWVGGRQHSA-N -1 3 332.799 2.031 10 30 EEEEHM C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001429989968 1340081852 /nfs/dbraw/zinc/08/18/52/1340081852.db2.gz ILWNBGWKAUKQCP-XJKSGUPXSA-N -1 3 337.379 2.139 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)Cc1ccno1)c1ccc(Cl)cc1F ZINC001663868326 1355045095 /nfs/dbraw/zinc/04/50/95/1355045095.db2.gz NQMDQNPOUGGGHN-ZDUSSCGKSA-N -1 3 328.752 2.261 10 30 EEEEHM CC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1NC(=O)C#CC1CC1 ZINC001505558560 1342236160 /nfs/dbraw/zinc/23/61/60/1342236160.db2.gz PGXFGJLPMHPJPI-DOTOQJQBSA-N -1 3 340.423 2.163 10 30 EEEEHM C=CCCC(=O)N(C)[C@@H](C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC001571847492 1343320694 /nfs/dbraw/zinc/32/06/94/1343320694.db2.gz XHVDLGSBPIKBAI-ZDUSSCGKSA-N -1 3 341.411 2.071 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001581217733 1344600864 /nfs/dbraw/zinc/60/08/64/1344600864.db2.gz JWRVBAWKRLUGBF-LSDHHAIUSA-N -1 3 346.427 2.094 10 30 EEEEHM N#Cc1cccc2[nH]cc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)c21 ZINC001638554219 1352689304 /nfs/dbraw/zinc/68/93/04/1352689304.db2.gz NNMPXHQWKNWUSK-UHFFFAOYSA-N -1 3 343.350 2.396 10 30 EEEEHM N#Cc1cccc2[nH]cc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)c21 ZINC001638554219 1352689306 /nfs/dbraw/zinc/68/93/06/1352689306.db2.gz NNMPXHQWKNWUSK-UHFFFAOYSA-N -1 3 343.350 2.396 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649520001 1353546623 /nfs/dbraw/zinc/54/66/23/1353546623.db2.gz MMWQLSIOGPCIPV-DOTOQJQBSA-N -1 3 340.423 2.259 10 30 EEEEHM O=C(c1cccn2c(=O)[nH]nc12)N([O-])CCCCc1ccccc1 ZINC001651226104 1354045323 /nfs/dbraw/zinc/04/53/23/1354045323.db2.gz LBNVDWKWKYAGFC-UHFFFAOYSA-N -1 3 326.356 2.289 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1ccc(Cl)cc1 ZINC001655557623 1354177849 /nfs/dbraw/zinc/17/78/49/1354177849.db2.gz GCAKAWUNGVGWRZ-NSHDSACASA-N -1 3 342.829 2.458 10 30 EEEEHM C#CCOc1cccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001659225662 1354377210 /nfs/dbraw/zinc/37/72/10/1354377210.db2.gz CRNBZMZUACBYAD-UHFFFAOYSA-N -1 3 348.366 2.447 10 30 EEEEHM C#CCOc1cccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001659225662 1354377213 /nfs/dbraw/zinc/37/72/13/1354377213.db2.gz CRNBZMZUACBYAD-UHFFFAOYSA-N -1 3 348.366 2.447 10 30 EEEEHM C#CCCCC(=O)NCCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001687819671 1358632848 /nfs/dbraw/zinc/63/28/48/1358632848.db2.gz XGIJJKYCTQQURX-UHFFFAOYSA-N -1 3 328.412 2.307 10 30 EEEEHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F ZINC000901770940 786283243 /nfs/dbraw/zinc/28/32/43/786283243.db2.gz FJAQYJZJNCMIBM-NSHDSACASA-N -1 3 336.335 2.435 10 30 EEEEHM C#CC[C@@H](COC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000913348099 788805858 /nfs/dbraw/zinc/80/58/58/788805858.db2.gz FUSXVLSUKZMSJM-JTQLQIEISA-N -1 3 339.417 2.258 10 30 EEEEHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1csc(C#N)c1 ZINC000915859714 796546283 /nfs/dbraw/zinc/54/62/83/796546283.db2.gz LOEXLMJPWYAYRT-UHFFFAOYSA-N -1 3 344.458 2.161 10 30 EEEEHM C=C(C)C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OCC ZINC000916738406 797872270 /nfs/dbraw/zinc/87/22/70/797872270.db2.gz HUOQHOKQJWOSAY-HNNXBMFYSA-N -1 3 328.368 2.156 10 30 EEEEHM COc1ncc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000916825835 797899214 /nfs/dbraw/zinc/89/92/14/797899214.db2.gz OSNOGBZDHFDXOV-UHFFFAOYSA-N -1 3 349.437 2.381 10 30 EEEEHM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ccc(C#N)c(F)c1 ZINC001440912846 1094166781 /nfs/dbraw/zinc/16/67/81/1094166781.db2.gz CSDOFHRUWKHAIV-GFCCVEGCSA-N -1 3 342.374 2.048 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N(CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001496762054 1101420793 /nfs/dbraw/zinc/42/07/93/1101420793.db2.gz USGCZLVDHHPRCQ-SFHVURJKSA-N -1 3 343.431 2.139 10 30 EEEEHM C#Cc1ccc(C(=O)NC[C@H](C)CNC(=O)c2ccccc2[O-])cc1 ZINC001500088156 1112612201 /nfs/dbraw/zinc/61/22/01/1112612201.db2.gz FUZIUDXICPWAPI-AWEZNQCLSA-N -1 3 336.391 2.169 10 30 EEEEHM C=CCCC(=O)N[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001507369644 1115228770 /nfs/dbraw/zinc/22/87/70/1115228770.db2.gz RIDDMSHOKJJRJZ-CZUORRHYSA-N -1 3 344.459 2.495 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CC(=C)C)C1 ZINC001515552397 1118976624 /nfs/dbraw/zinc/97/66/24/1118976624.db2.gz JXBHDSOJRDDFHY-CQSZACIVSA-N -1 3 338.415 2.257 10 30 EEEEHM C=CCO[C@@H](C)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001526298365 1120492455 /nfs/dbraw/zinc/49/24/55/1120492455.db2.gz RZUMBSRHNNGQKS-NFOMZHRRSA-N -1 3 346.427 2.141 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(CF)CCOCC2)c1 ZINC000451740146 243238577 /nfs/dbraw/zinc/23/85/77/243238577.db2.gz WPIORMRIIAXZME-UHFFFAOYSA-N -1 3 332.784 2.009 10 30 EEEEHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000173739286 152192772 /nfs/dbraw/zinc/19/27/72/152192772.db2.gz SXVZXAHNEDLBJV-UHFFFAOYSA-N -1 3 341.345 2.146 10 30 EEEEHM N#Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)ccc1Cl ZINC000192135086 160167632 /nfs/dbraw/zinc/16/76/32/160167632.db2.gz NCQUTVGRFONLQX-UHFFFAOYSA-N -1 3 330.690 2.390 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1C#N ZINC000344737013 161241009 /nfs/dbraw/zinc/24/10/09/161241009.db2.gz XNFVXUAOLBJDDP-CYBMUJFWSA-N -1 3 348.472 2.231 10 30 EEEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ncccc1[O-] ZINC000352509213 162164684 /nfs/dbraw/zinc/16/46/84/162164684.db2.gz OKQUUHLKONFHAL-QGZVFWFLSA-N -1 3 325.368 2.379 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000533498046 270022726 /nfs/dbraw/zinc/02/27/26/270022726.db2.gz SYYJAFXMMCQSFN-LJQANCHMSA-N -1 3 348.362 2.174 10 30 EEEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2F)cc1C#N ZINC000414400313 268086124 /nfs/dbraw/zinc/08/61/24/268086124.db2.gz UQVVNPIQAHPWSI-UHFFFAOYSA-N -1 3 348.403 2.263 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000430019902 268167720 /nfs/dbraw/zinc/16/77/20/268167720.db2.gz OBDNHPGLCPLTDA-JSGCOSHPSA-N -1 3 343.364 2.301 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000528558941 268325839 /nfs/dbraw/zinc/32/58/39/268325839.db2.gz UADCBWYIFLBVOA-IUIKQTSFSA-N -1 3 345.811 2.223 10 30 EEEEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000566338401 319276341 /nfs/dbraw/zinc/27/63/41/319276341.db2.gz PRXNHQWWJYISJE-ZWNOBZJWSA-N -1 3 330.837 2.287 10 30 EEEEHM Cc1nn2c(nnc2SCC#Cc2ccccc2Cl)[n-]c1=O ZINC000163012657 463556977 /nfs/dbraw/zinc/55/69/77/463556977.db2.gz WXEMMCUXOIYSCB-UHFFFAOYSA-N -1 3 331.788 2.331 10 30 EEEEHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000276968018 463824436 /nfs/dbraw/zinc/82/44/36/463824436.db2.gz DIMPKFQSYABFGQ-LBPRGKRZSA-N -1 3 347.444 2.253 10 30 EEEEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000289643326 464088260 /nfs/dbraw/zinc/08/82/60/464088260.db2.gz SPTMGPBHZKINBO-BDAKNGLRSA-N -1 3 336.335 2.279 10 30 EEEEHM COc1nnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)[n-]1 ZINC000179373210 464120942 /nfs/dbraw/zinc/12/09/42/464120942.db2.gz LZICUANTLNQANO-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM COc1n[n-]c(NC(=O)c2ccc(COc3ccccc3C#N)o2)n1 ZINC000179373210 464120948 /nfs/dbraw/zinc/12/09/48/464120948.db2.gz LZICUANTLNQANO-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM COc1nc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n[n-]1 ZINC000179373210 464120952 /nfs/dbraw/zinc/12/09/52/464120952.db2.gz LZICUANTLNQANO-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM CN(C)c1nc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc(=O)[n-]1 ZINC000330435548 465659123 /nfs/dbraw/zinc/65/91/23/465659123.db2.gz QQXJLPVPTSWNIC-FZMZJTMJSA-N -1 3 336.436 2.394 10 30 EEEEHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)CC2(C#N)CCC2)no1 ZINC000349557465 466141410 /nfs/dbraw/zinc/14/14/10/466141410.db2.gz RLTOIFHKTRVETK-UHFFFAOYSA-N -1 3 341.433 2.103 10 30 EEEEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000594478790 468600978 /nfs/dbraw/zinc/60/09/78/468600978.db2.gz KLAQWKKXXWDWFG-GFCCVEGCSA-N -1 3 328.409 2.427 10 30 EEEEHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-n4cncn4)c3)nc1-2 ZINC000429567651 467348524 /nfs/dbraw/zinc/34/85/24/467348524.db2.gz XUUKUHRGSYMZMZ-CQSZACIVSA-N -1 3 343.350 2.337 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000528553615 467701826 /nfs/dbraw/zinc/70/18/26/467701826.db2.gz OZXNGYUSAKBRES-LFNDISMMSA-N -1 3 328.821 2.302 10 30 EEEEHM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000594487625 468606137 /nfs/dbraw/zinc/60/61/37/468606137.db2.gz NUIUJZFNDORUMH-HIFRSBDPSA-N -1 3 348.428 2.027 10 30 EEEEHM C[C@@H](NC(=O)c1cscc1C#N)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000597651600 468627595 /nfs/dbraw/zinc/62/75/95/468627595.db2.gz CUMSDXBLTMLSQZ-NXEZZACHSA-N -1 3 344.396 2.113 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1C)C1CCOCC1 ZINC000592351185 468681326 /nfs/dbraw/zinc/68/13/26/468681326.db2.gz CGGNSNYJMIAUIF-MRXNPFEDSA-N -1 3 338.429 2.050 10 30 EEEEHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000595366970 468828065 /nfs/dbraw/zinc/82/80/65/468828065.db2.gz WGDKHFUWRVXQHR-INIZCTEOSA-N -1 3 340.420 2.322 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)n1cccn1 ZINC000601528083 468908776 /nfs/dbraw/zinc/90/87/76/468908776.db2.gz ZZZDZMWLKUGXLZ-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCn3nccc32)c(Cl)c1 ZINC000601540725 468911736 /nfs/dbraw/zinc/91/17/36/468911736.db2.gz QVNTWYVXTBGQHU-LBPRGKRZSA-N -1 3 336.804 2.222 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000593604881 469055888 /nfs/dbraw/zinc/05/58/88/469055888.db2.gz MKADDMRRUKLJGG-UHFFFAOYSA-N -1 3 336.385 2.448 10 30 EEEEHM C[C@@H](CC#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000596667099 469327376 /nfs/dbraw/zinc/32/73/76/469327376.db2.gz CEAIURNMJHWRTN-VIFPVBQESA-N -1 3 349.334 2.015 10 30 EEEEHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2nc(C)ccc2[O-])C1=O ZINC000728778248 576526062 /nfs/dbraw/zinc/52/60/62/576526062.db2.gz BAGOUIGHJDLGLF-GOSISDBHSA-N -1 3 338.367 2.287 10 30 EEEEHM C[C@@H](NCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000775155384 577431246 /nfs/dbraw/zinc/43/12/46/577431246.db2.gz KWMPRPDFNAJPSO-ZIAGYGMSSA-N -1 3 337.427 2.437 10 30 EEEEHM C#CCCN1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000776593202 577463756 /nfs/dbraw/zinc/46/37/56/577463756.db2.gz SQMSHEAMGWTRLG-UHFFFAOYSA-N -1 3 336.395 2.223 10 30 EEEEHM C=CCCN(OCc1ccccc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000765535742 577502836 /nfs/dbraw/zinc/50/28/36/577502836.db2.gz KHRGXXUBNCXXFM-UHFFFAOYSA-N -1 3 342.399 2.398 10 30 EEEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000770392016 577595286 /nfs/dbraw/zinc/59/52/86/577595286.db2.gz PZSABBKCCAUGHR-NSHDSACASA-N -1 3 329.805 2.207 10 30 EEEEHM COc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000255499193 678328773 /nfs/dbraw/zinc/32/87/73/678328773.db2.gz UDPJNRVJOFFOKT-AGLBCWCQSA-N -1 3 339.351 2.042 10 30 EEEEHM C#CCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])C1CCCC1 ZINC000162205201 679452236 /nfs/dbraw/zinc/45/22/36/679452236.db2.gz VHDCYIPCLKIGCO-UHFFFAOYSA-N -1 3 328.412 2.225 10 30 EEEEHM CC1(C)CC[C@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904186243 694315252 /nfs/dbraw/zinc/31/52/52/694315252.db2.gz SFWSJFXGFLOVAE-AWEZNQCLSA-N -1 3 330.384 2.327 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000904210150 694323386 /nfs/dbraw/zinc/32/33/86/694323386.db2.gz HOGVQOOCLMUEFJ-LBPRGKRZSA-N -1 3 328.434 2.058 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000870693188 1200816046 /nfs/dbraw/zinc/81/60/46/1200816046.db2.gz YMKHGUUMHXADLX-UHFFFAOYSA-N -1 3 329.400 2.003 10 30 EEEEHM COc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc1Cl ZINC000901771601 1236299068 /nfs/dbraw/zinc/29/90/68/1236299068.db2.gz FJVDQXOFOLZDOV-SNVBAGLBSA-N -1 3 342.726 2.471 10 30 EEEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867322242 1285687340 /nfs/dbraw/zinc/68/73/40/1285687340.db2.gz JXIBSZBZSGRGRR-GFCCVEGCSA-N -1 3 329.834 2.425 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001263323490 1322461132 /nfs/dbraw/zinc/46/11/32/1322461132.db2.gz RHMYQWGFYXSTQN-OCCSQVGLSA-N -1 3 345.403 2.220 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nn1 ZINC001280337792 1324161242 /nfs/dbraw/zinc/16/12/42/1324161242.db2.gz ZAKZWXGZLFRDTQ-WAYWQWQTSA-N -1 3 328.357 2.331 10 30 EEEEHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001281213096 1324882211 /nfs/dbraw/zinc/88/22/11/1324882211.db2.gz BWCWNLWWEUBLIU-HOCLYGCPSA-N -1 3 346.427 2.094 10 30 EEEEHM CN(C[C@@H]1CCN1C(=O)c1ccccc1[O-])C(=O)C#CC(C)(C)C ZINC001282031888 1325585943 /nfs/dbraw/zinc/58/59/43/1325585943.db2.gz AVKGELWBEUNTAE-AWEZNQCLSA-N -1 3 328.412 2.115 10 30 EEEEHM C=C(C)CCC(=O)NCc1nc(CNC(=O)C(C)=CCC)cc(=O)[n-]1 ZINC001282235177 1325660367 /nfs/dbraw/zinc/66/03/67/1325660367.db2.gz USCTVYHFIOSWLV-MLPAPPSSSA-N -1 3 346.431 2.127 10 30 EEEEHM CC#CCNCc1nc2c(s1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001316808462 1331905124 /nfs/dbraw/zinc/90/51/24/1331905124.db2.gz CSYQMFGTNJIVDG-UHFFFAOYSA-N -1 3 341.436 2.160 10 30 EEEEHM CC(C)(NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(C#N)c1 ZINC001413855137 1338217844 /nfs/dbraw/zinc/21/78/44/1338217844.db2.gz AVWIZECJDVCAAT-UHFFFAOYSA-N -1 3 337.379 2.045 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H]1CCCCN1S(=O)(=O)CCC ZINC001639062159 1352693688 /nfs/dbraw/zinc/69/36/88/1352693688.db2.gz CPJKTRYQSODEDY-CQSZACIVSA-N -1 3 334.482 2.379 10 30 EEEEHM C=CC(C)(C)CC(=O)N[C@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001355157762 1338698466 /nfs/dbraw/zinc/69/84/66/1338698466.db2.gz AZJKFWQLLQCHDH-GFCCVEGCSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCOCC(=O)N1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001356688828 1338859616 /nfs/dbraw/zinc/85/96/16/1338859616.db2.gz KXUHLPDVUPKKDW-OAHLLOKOSA-N -1 3 346.427 2.048 10 30 EEEEHM C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572044554 1343370010 /nfs/dbraw/zinc/37/00/10/1343370010.db2.gz RMYPQFLUDKMXOB-LXTVHRRPSA-N -1 3 330.428 2.475 10 30 EEEEHM C#Cc1cncc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001646347818 1352831752 /nfs/dbraw/zinc/83/17/52/1352831752.db2.gz PAOAPFLNUXGLSJ-UHFFFAOYSA-N -1 3 346.346 2.395 10 30 EEEEHM C#Cc1cncc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001646347818 1352831756 /nfs/dbraw/zinc/83/17/56/1352831756.db2.gz PAOAPFLNUXGLSJ-UHFFFAOYSA-N -1 3 346.346 2.395 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)CC2(C=C)CCCCC2)n1 ZINC001656646996 1354255876 /nfs/dbraw/zinc/25/58/76/1354255876.db2.gz PGFIUMPSCYYAEL-UHFFFAOYSA-N -1 3 342.443 2.048 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1)OCC ZINC001687906110 1358665374 /nfs/dbraw/zinc/66/53/74/1358665374.db2.gz RYPXCBRRQARPCV-RHSMWYFYSA-N -1 3 346.427 2.094 10 30 EEEEHM Cc1ccc(-c2nc(C(=O)N[C@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000816759618 784247533 /nfs/dbraw/zinc/24/75/33/784247533.db2.gz QOOVVJMQSKXVFP-LBPRGKRZSA-N -1 3 331.397 2.229 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000820179456 785825469 /nfs/dbraw/zinc/82/54/69/785825469.db2.gz LEYYVEMPCJKOJQ-AWEZNQCLSA-N -1 3 348.305 2.477 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000844271617 788964480 /nfs/dbraw/zinc/96/44/80/788964480.db2.gz QWSMYYZUBMRCOQ-WQHXNLHFSA-N -1 3 327.384 2.322 10 30 EEEEHM Cn1cc(-c2nsc([N-]C(=O)c3cccc(F)c3C#N)n2)cn1 ZINC001179879366 800155875 /nfs/dbraw/zinc/15/58/75/800155875.db2.gz KZQAKPNHJRQULF-UHFFFAOYSA-N -1 3 328.332 2.202 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC001472620671 1110560707 /nfs/dbraw/zinc/56/07/07/1110560707.db2.gz LODCWCGWZUIOJV-CYBMUJFWSA-N -1 3 333.388 2.016 10 30 EEEEHM N#Cc1cccc(NCCNC(=O)c2ccc([O-])cc2)c1[N+](=O)[O-] ZINC001472659134 1110561741 /nfs/dbraw/zinc/56/17/41/1110561741.db2.gz KWETUMGHBCAECK-UHFFFAOYSA-N -1 3 326.312 2.014 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001524188929 1120000944 /nfs/dbraw/zinc/00/09/44/1120000944.db2.gz IECWEVCAWKILLV-KRWDZBQOSA-N -1 3 345.403 2.222 10 30 EEEEHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000279421790 539708484 /nfs/dbraw/zinc/70/84/84/539708484.db2.gz CVJKHQJGQRSADF-HNNXBMFYSA-N -1 3 345.420 2.361 10 30 EEEEHM N#CCN(CC#N)c1ncnc([N-]c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040618025 213359419 /nfs/dbraw/zinc/35/94/19/213359419.db2.gz JITIGORYKMCAAM-UHFFFAOYSA-N -1 3 345.269 2.260 10 30 EEEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000451204393 243030152 /nfs/dbraw/zinc/03/01/52/243030152.db2.gz WTKFTTYZRBSOAA-HNNXBMFYSA-N -1 3 349.456 2.041 10 30 EEEEHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)OC ZINC000451684130 243203731 /nfs/dbraw/zinc/20/37/31/243203731.db2.gz WRXGXYUAZSLCGF-XHDPSFHLSA-N -1 3 328.409 2.178 10 30 EEEEHM COCc1csc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000115244343 152013954 /nfs/dbraw/zinc/01/39/54/152013954.db2.gz YOHJEGFHTGBLMX-UHFFFAOYSA-N -1 3 346.412 2.038 10 30 EEEEHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000277719242 267071260 /nfs/dbraw/zinc/07/12/60/267071260.db2.gz JBHBTEFPOCULFC-BXKDBHETSA-N -1 3 348.346 2.280 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000430019899 268167447 /nfs/dbraw/zinc/16/74/47/268167447.db2.gz OBDNHPGLCPLTDA-GXTWGEPZSA-N -1 3 343.364 2.301 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000528450851 268182299 /nfs/dbraw/zinc/18/22/99/268182299.db2.gz QFPSAUXETJKFOQ-LLVKDONJSA-N -1 3 328.821 2.307 10 30 EEEEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)O1 ZINC000188753319 268568382 /nfs/dbraw/zinc/56/83/82/268568382.db2.gz FENSPKMFQBYCJL-GFCCVEGCSA-N -1 3 328.821 2.448 10 30 EEEEHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000351218802 465095498 /nfs/dbraw/zinc/09/54/98/465095498.db2.gz GODFQWVPWBEICN-CYBMUJFWSA-N -1 3 334.800 2.385 10 30 EEEEHM C=CC[C@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000298929825 465543596 /nfs/dbraw/zinc/54/35/96/465543596.db2.gz MTOQXLMXZIZNJQ-GJZGRUSLSA-N -1 3 326.400 2.164 10 30 EEEEHM C=CCNC(=O)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000348740464 465764572 /nfs/dbraw/zinc/76/45/72/465764572.db2.gz FUPXVNDRCPGNBR-UHFFFAOYSA-N -1 3 326.356 2.025 10 30 EEEEHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000338802435 466389273 /nfs/dbraw/zinc/38/92/73/466389273.db2.gz XQKBPGHHWYEGHB-LBPRGKRZSA-N -1 3 339.399 2.343 10 30 EEEEHM Cn1cc(C#N)cc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365739034 466924867 /nfs/dbraw/zinc/92/48/67/466924867.db2.gz XWFNXYSQDAAFDI-UHFFFAOYSA-N -1 3 340.774 2.020 10 30 EEEEHM Cc1nsc([N-]C(=O)Nc2ccn(Cc3ccncc3)n2)c1C#N ZINC000436482636 467539787 /nfs/dbraw/zinc/53/97/87/467539787.db2.gz AQAOLPBHXHHSMH-UHFFFAOYSA-N -1 3 339.384 2.607 10 30 EEEEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000594480222 468602233 /nfs/dbraw/zinc/60/22/33/468602233.db2.gz NKJDXCTWXJJETB-HAQNSBGRSA-N -1 3 326.393 2.322 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C#N)CC(C)C)c1ccc(F)cc1 ZINC000600668361 468614675 /nfs/dbraw/zinc/61/46/75/468614675.db2.gz PCWSKTKQMGHHGW-HUUCEWRRSA-N -1 3 328.409 2.371 10 30 EEEEHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000594867569 468712876 /nfs/dbraw/zinc/71/28/76/468712876.db2.gz JFFIREWXTUGMJE-NWDGAFQWSA-N -1 3 334.422 2.463 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)CCCC1 ZINC000595383630 468833268 /nfs/dbraw/zinc/83/32/68/468833268.db2.gz KORNAKHYMLYPEE-CQSZACIVSA-N -1 3 344.383 2.002 10 30 EEEEHM CS(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)co1 ZINC000592999770 468835501 /nfs/dbraw/zinc/83/55/01/468835501.db2.gz UPNGXCWGWUORNI-UHFFFAOYSA-N -1 3 336.394 2.357 10 30 EEEEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000595392104 468836162 /nfs/dbraw/zinc/83/61/62/468836162.db2.gz JTYHPCXBRLCSKE-JTQLQIEISA-N -1 3 328.821 2.305 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)OC ZINC000601502226 468897143 /nfs/dbraw/zinc/89/71/43/468897143.db2.gz SPGHHRORDIBQEG-LBPRGKRZSA-N -1 3 335.784 2.265 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)n1cccn1 ZINC000601526395 468908076 /nfs/dbraw/zinc/90/80/76/468908076.db2.gz LJLIZJHOIAEURK-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593631370 469069712 /nfs/dbraw/zinc/06/97/12/469069712.db2.gz GKXQUMIIBOYGSM-CQSZACIVSA-N -1 3 326.443 2.103 10 30 EEEEHM N#CC1(C[N-]S(=O)(=O)c2cnnn2-c2ccccc2)CCCCC1 ZINC000599346345 469221265 /nfs/dbraw/zinc/22/12/65/469221265.db2.gz IFQMALKGPMVLDA-UHFFFAOYSA-N -1 3 345.428 2.020 10 30 EEEEHM C=CCSc1ccccc1C(=O)NCc1nnc(C(=O)OCC)[n-]1 ZINC000603015730 469223281 /nfs/dbraw/zinc/22/32/81/469223281.db2.gz KRNDGYRYJXHDQX-UHFFFAOYSA-N -1 3 346.412 2.190 10 30 EEEEHM C=CCOCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000679490133 485710969 /nfs/dbraw/zinc/71/09/69/485710969.db2.gz GADJAIRQGZRCBW-UHFFFAOYSA-N -1 3 328.372 2.482 10 30 EEEEHM COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)N[O-])C(=O)OC2 ZINC000760788889 577669760 /nfs/dbraw/zinc/66/97/60/577669760.db2.gz XUEGRBSFQYYISJ-WTKPLQERSA-N -1 3 335.356 2.154 10 30 EEEEHM O=C(CN1CCN(C2CC2)C1=O)N([O-])CCCCc1ccccc1 ZINC000904195269 694325537 /nfs/dbraw/zinc/32/55/37/694325537.db2.gz APSWBUWWRIZBQW-UHFFFAOYSA-N -1 3 331.416 2.127 10 30 EEEEHM COCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)nn1 ZINC001649070140 1193506511 /nfs/dbraw/zinc/50/65/11/1193506511.db2.gz SGHGWMJTMZSHQA-UHFFFAOYSA-N -1 3 326.356 2.109 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001486549155 1194061028 /nfs/dbraw/zinc/06/10/28/1194061028.db2.gz JNSLRLFXPDHWMD-OAHLLOKOSA-N -1 3 328.412 2.115 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875711080 1199356536 /nfs/dbraw/zinc/35/65/36/1199356536.db2.gz VHLUYFRUOCNKLY-OLZOCXBDSA-N -1 3 347.381 2.441 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001299472142 1205291404 /nfs/dbraw/zinc/29/14/04/1205291404.db2.gz FFXARZYNKUYASS-QGZVFWFLSA-N -1 3 342.439 2.456 10 30 EEEEHM C=CCCC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OC ZINC000928318236 1206372616 /nfs/dbraw/zinc/37/26/16/1206372616.db2.gz SMOOHNKBFVQRMF-LBPRGKRZSA-N -1 3 337.372 2.037 10 30 EEEEHM Cc1[n-][nH]c(=O)c1CCNc1ccc(C#N)c(Br)c1F ZINC001412867820 1215949365 /nfs/dbraw/zinc/94/93/65/1215949365.db2.gz CRPBKSQCPCRLPY-SECBINFHSA-N -1 3 339.168 2.384 10 30 EEEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001189864246 1280524055 /nfs/dbraw/zinc/52/40/55/1280524055.db2.gz XWHZLEVKHRTORJ-MRVPVSSYSA-N -1 3 329.834 2.425 10 30 EEEEHM C=CCC[C@@H](C)N1CC2(C1)C[C@@H](NC(=O)c1ccccc1[O-])CO2 ZINC001273676094 1283021668 /nfs/dbraw/zinc/02/16/68/1283021668.db2.gz RHBUUZLPPBQISF-HUUCEWRRSA-N -1 3 330.428 2.320 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CCOCC1 ZINC000851829920 1291868385 /nfs/dbraw/zinc/86/83/85/1291868385.db2.gz SVFYOMHQIYFOMV-LBPRGKRZSA-N -1 3 349.239 2.095 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCCS(=O)(=O)C1CCCCC1 ZINC000857221863 1293762265 /nfs/dbraw/zinc/76/22/65/1293762265.db2.gz SIOVVPCHGPATQL-UHFFFAOYSA-N -1 3 331.463 2.009 10 30 EEEEHM C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)C1 ZINC001123419963 1310558556 /nfs/dbraw/zinc/55/85/56/1310558556.db2.gz MLONSPGRKMGFFX-CYBMUJFWSA-N -1 3 338.415 2.009 10 30 EEEEHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)C=CC(C)(C)C)n1 ZINC001264579835 1322737273 /nfs/dbraw/zinc/73/72/73/1322737273.db2.gz AGOJWZNZLCDWGN-AATRIKPKSA-N -1 3 338.839 2.243 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001282408694 1325712767 /nfs/dbraw/zinc/71/27/67/1325712767.db2.gz ZVUGHPGOSHLTPC-KBPBESRZSA-N -1 3 347.463 2.154 10 30 EEEEHM C=CCC(C)(C)C(=O)N(C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001283550887 1326127503 /nfs/dbraw/zinc/12/75/03/1326127503.db2.gz ZACROXOACMOQIG-UHFFFAOYSA-N -1 3 343.431 2.139 10 30 EEEEHM CN(C[C@@H]1CCN1C(=O)C#CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC001289934167 1328068097 /nfs/dbraw/zinc/06/80/97/1328068097.db2.gz PNQKJCQAYPWOMA-AWEZNQCLSA-N -1 3 328.412 2.115 10 30 EEEEHM C=C[C@H](CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001295316890 1329802026 /nfs/dbraw/zinc/80/20/26/1329802026.db2.gz MKVXBFJMCGBFCR-TXPWEPMLSA-N -1 3 328.412 2.181 10 30 EEEEHM C=C1CC(C)(C(=O)NCCN(C(=O)c2ccccc2[O-])C2CC2)C1 ZINC001296626153 1329904748 /nfs/dbraw/zinc/90/47/48/1329904748.db2.gz AFXKXXAYOGULEN-UHFFFAOYSA-N -1 3 328.412 2.469 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)CCc2nc3ccccc3oc2=O)c1 ZINC001302371346 1331326190 /nfs/dbraw/zinc/32/61/90/1331326190.db2.gz IBVMZSAPPUGMGS-UHFFFAOYSA-N -1 3 335.319 2.102 10 30 EEEEHM C=CCCCC(=O)N[C@@]1(C)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001500253841 1342114410 /nfs/dbraw/zinc/11/44/10/1342114410.db2.gz LVBHJXQVAFBZJW-IBGZPJMESA-N -1 3 344.459 2.497 10 30 EEEEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CCCCCC#N)CC2)n1 ZINC001558500742 1342478438 /nfs/dbraw/zinc/47/84/38/1342478438.db2.gz CFMLCIRFWJLCRH-UHFFFAOYSA-N -1 3 331.420 2.050 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-])OCC ZINC001678084581 1357463247 /nfs/dbraw/zinc/46/32/47/1357463247.db2.gz KNVTUQKCQCZEQU-WMLDXEAASA-N -1 3 348.443 2.340 10 30 EEEEHM C=CCCC(=O)N[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001664982379 1355259710 /nfs/dbraw/zinc/25/97/10/1355259710.db2.gz MFETXQYVSSWKMA-CQSZACIVSA-N -1 3 330.432 2.106 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001681468881 1358007437 /nfs/dbraw/zinc/00/74/37/1358007437.db2.gz VKXFIRRWLUPQSL-GJZGRUSLSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CCCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccccc2[O-])CC1 ZINC001688090910 1358777759 /nfs/dbraw/zinc/77/77/59/1358777759.db2.gz ZQNMUCWQZKVRFJ-QLPKVWCKSA-N -1 3 340.423 2.325 10 30 EEEEHM C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001688100100 1358783971 /nfs/dbraw/zinc/78/39/71/1358783971.db2.gz NRNRFURAOKVMEG-HALDLXJZSA-N -1 3 328.412 2.181 10 30 EEEEHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nncn1C ZINC000908125102 785072364 /nfs/dbraw/zinc/07/23/64/785072364.db2.gz OTCYJGSCXUDTKI-ZDUSSCGKSA-N -1 3 333.342 2.292 10 30 EEEEHM CCc1ccc(-c2nc(CC(=O)N[C@@H]3CCN([O-])C3=O)cs2)cc1 ZINC000820178747 785823931 /nfs/dbraw/zinc/82/39/31/785823931.db2.gz ABVURUGVGWZPAY-CQSZACIVSA-N -1 3 345.424 2.021 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000909067186 785979978 /nfs/dbraw/zinc/97/99/78/785979978.db2.gz JARKUIFOSMGSKU-XIRDDKMYSA-N -1 3 345.443 2.226 10 30 EEEEHM Cc1cc(C#N)cc(C)c1CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000923591768 789825753 /nfs/dbraw/zinc/82/57/53/789825753.db2.gz JSJHQNLONPQLCJ-UHFFFAOYSA-N -1 3 342.317 2.329 10 30 EEEEHM N#Cc1c[nH]nc1[N-]C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC001452046352 1098149624 /nfs/dbraw/zinc/14/96/24/1098149624.db2.gz NHEIHGINYCLVOV-UHFFFAOYSA-N -1 3 329.270 2.052 10 30 EEEEHM CNC(=O)c1cccc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001472619541 1110560831 /nfs/dbraw/zinc/56/08/31/1110560831.db2.gz PRXWFCNPEXSYJW-UHFFFAOYSA-N -1 3 327.384 2.296 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001475430569 1110612358 /nfs/dbraw/zinc/61/23/58/1110612358.db2.gz WWIRFZKXFZWHPP-AWEZNQCLSA-N -1 3 346.364 2.256 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001500238109 1112696026 /nfs/dbraw/zinc/69/60/26/1112696026.db2.gz PRKCQYABEHWZIJ-LBPRGKRZSA-N -1 3 343.431 2.042 10 30 EEEEHM C#CCCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001511412083 1118124023 /nfs/dbraw/zinc/12/40/23/1118124023.db2.gz NDRJJVPGELXCTJ-HUUCEWRRSA-N -1 3 328.412 2.210 10 30 EEEEHM CCn1nnc2cc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)ccc21 ZINC000053524008 214187230 /nfs/dbraw/zinc/18/72/30/214187230.db2.gz UNQOAMZTQPVDLI-UHFFFAOYSA-N -1 3 334.343 2.268 10 30 EEEEHM CCn1nnc2cc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)ccc21 ZINC000053524008 214187234 /nfs/dbraw/zinc/18/72/34/214187234.db2.gz UNQOAMZTQPVDLI-UHFFFAOYSA-N -1 3 334.343 2.268 10 30 EEEEHM CCn1nnc2cc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)ccc21 ZINC000053524008 214187236 /nfs/dbraw/zinc/18/72/36/214187236.db2.gz UNQOAMZTQPVDLI-UHFFFAOYSA-N -1 3 334.343 2.268 10 30 EEEEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000445756077 242131681 /nfs/dbraw/zinc/13/16/81/242131681.db2.gz JUEKOGKKAODPTP-MRXNPFEDSA-N -1 3 340.420 2.307 10 30 EEEEHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Cc1ccccc1 ZINC000451670587 286011500 /nfs/dbraw/zinc/01/15/00/286011500.db2.gz JRPAXXSUACVMBN-INIZCTEOSA-N -1 3 336.457 2.247 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)s1 ZINC000377288481 154126067 /nfs/dbraw/zinc/12/60/67/154126067.db2.gz JZKRBDHMMCBYJW-NSHDSACASA-N -1 3 338.385 2.041 10 30 EEEEHM Cc1nc([N-]C(=O)[C@@H](C)Oc2ccccc2C#N)n(-c2ccccc2)n1 ZINC000440126493 270020639 /nfs/dbraw/zinc/02/06/39/270020639.db2.gz FIGAZIBJJQHALW-CYBMUJFWSA-N -1 3 347.378 2.275 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000528446245 268160226 /nfs/dbraw/zinc/16/02/26/268160226.db2.gz BHVZIXIUNFMBRI-NSHDSACASA-N -1 3 328.821 2.307 10 30 EEEEHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c2c(n1)CCCC2 ZINC000580168510 324006423 /nfs/dbraw/zinc/00/64/23/324006423.db2.gz WWOSOLJBTSEHBK-UHFFFAOYSA-N -1 3 327.409 2.363 10 30 EEEEHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156501598 463032593 /nfs/dbraw/zinc/03/25/93/463032593.db2.gz MPTRQKNTDPTHPC-GFCCVEGCSA-N -1 3 341.864 2.364 10 30 EEEEHM C=CCC(C)(C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000293768309 464420324 /nfs/dbraw/zinc/42/03/24/464420324.db2.gz MKICFIVCPMUUJH-LBPRGKRZSA-N -1 3 342.436 2.211 10 30 EEEEHM N#CCN1CCC[C@@H](CNC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000267114043 464916324 /nfs/dbraw/zinc/91/63/24/464916324.db2.gz CESBWRAIDUANPB-AWEZNQCLSA-N -1 3 327.428 2.236 10 30 EEEEHM CC(C)CN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000333219631 466610656 /nfs/dbraw/zinc/61/06/56/466610656.db2.gz DIYDKFFUBQPIJU-GFCCVEGCSA-N -1 3 327.475 2.018 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000425177629 467087628 /nfs/dbraw/zinc/08/76/28/467087628.db2.gz HNARNSYXDGLPRY-JSGCOSHPSA-N -1 3 340.401 2.081 10 30 EEEEHM C=CCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000427945175 467187865 /nfs/dbraw/zinc/18/78/65/467187865.db2.gz QPNMBUNXTPZHOG-UHFFFAOYSA-N -1 3 340.426 2.078 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000595354326 468822296 /nfs/dbraw/zinc/82/22/96/468822296.db2.gz SHMUFLBKMZZZIH-UHFFFAOYSA-N -1 3 328.821 2.041 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC ZINC000601502375 468897407 /nfs/dbraw/zinc/89/74/07/468897407.db2.gz OTSHGYYKLHIVAT-HNNXBMFYSA-N -1 3 348.424 2.162 10 30 EEEEHM CCCc1nc(C)c(C[N-]S(=O)(=O)CC2(C#N)CCCC2)o1 ZINC000562336556 468939404 /nfs/dbraw/zinc/93/94/04/468939404.db2.gz MENIGXCAQDFAKG-UHFFFAOYSA-N -1 3 325.434 2.439 10 30 EEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)N(C)c1ccccc1 ZINC000593536639 469022584 /nfs/dbraw/zinc/02/25/84/469022584.db2.gz GCARDXDRLSNEQZ-LBPRGKRZSA-N -1 3 335.454 2.423 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1c(C)nn(C)c1C ZINC000593551214 469029737 /nfs/dbraw/zinc/02/97/37/469029737.db2.gz AJJGKPBBYHBZFO-NSHDSACASA-N -1 3 338.458 2.400 10 30 EEEEHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)n1 ZINC000593575335 469043765 /nfs/dbraw/zinc/04/37/65/469043765.db2.gz GGDZEDCVAOHENR-QMMMGPOBSA-N -1 3 327.456 2.467 10 30 EEEEHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645640609 470366203 /nfs/dbraw/zinc/36/62/03/470366203.db2.gz DNBGJROJVUOIMW-NSHDSACASA-N -1 3 328.434 2.313 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894729144 683055138 /nfs/dbraw/zinc/05/51/38/683055138.db2.gz VAQZRFADYZPAQF-YOEHRIQHSA-N -1 3 343.427 2.236 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895631661 684669616 /nfs/dbraw/zinc/66/96/16/684669616.db2.gz QTECBFHYHSGOCH-ILXRZTDVSA-N -1 3 345.447 2.195 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001625779512 1176051549 /nfs/dbraw/zinc/05/15/49/1176051549.db2.gz NDXVSNBAWFUBDV-VOTSOKGWSA-N -1 3 338.289 2.187 10 30 EEEEHM C=C(C)[C@H](CC(=O)N1CC(N(C)C(=O)c2ccccc2[O-])C1)OCC ZINC001299313582 1197951120 /nfs/dbraw/zinc/95/11/20/1197951120.db2.gz WIKLXYMWZMCKPB-KRWDZBQOSA-N -1 3 346.427 2.046 10 30 EEEEHM CCOC(=O)c1c(C)onc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187588 1199916882 /nfs/dbraw/zinc/91/68/82/1199916882.db2.gz JUDHMLXZRWIWII-UHFFFAOYSA-N -1 3 330.296 2.094 10 30 EEEEHM C=C(Cl)C[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)OCC ZINC000870034230 1200422039 /nfs/dbraw/zinc/42/20/39/1200422039.db2.gz ZUHOKTJOLJCVFW-CYBMUJFWSA-N -1 3 339.775 2.399 10 30 EEEEHM C=C(C)C[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OCC ZINC000881753481 1201752209 /nfs/dbraw/zinc/75/22/09/1201752209.db2.gz QMRIGOCDMCQXJX-LBPRGKRZSA-N -1 3 337.372 2.037 10 30 EEEEHM O=C(/C=C\c1ccsc1C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000868563296 1201836042 /nfs/dbraw/zinc/83/60/42/1201836042.db2.gz QAVFONRIPMNUGH-ZBJFTSOASA-N -1 3 334.319 2.277 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OCC ZINC000882645149 1201913164 /nfs/dbraw/zinc/91/31/64/1201913164.db2.gz WMCSTVNFWFUFTN-AWEZNQCLSA-N -1 3 329.393 2.143 10 30 EEEEHM C=CCOc1ccccc1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000901525632 1235921674 /nfs/dbraw/zinc/92/16/74/1235921674.db2.gz VSQZOGQINGGTKD-UHFFFAOYSA-N -1 3 342.399 2.378 10 30 EEEEHM N#CCC1(C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000867221384 1284398546 /nfs/dbraw/zinc/39/85/46/1284398546.db2.gz RHUURMJHNYOCMP-UHFFFAOYSA-N -1 3 342.833 2.317 10 30 EEEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867407061 1289777277 /nfs/dbraw/zinc/77/72/77/1289777277.db2.gz KVEBKFBSGNHAPZ-VLIAUNLRSA-N -1 3 330.475 2.126 10 30 EEEEHM C=C1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@@H]2CCCO2)CC1 ZINC001122863924 1310413083 /nfs/dbraw/zinc/41/30/83/1310413083.db2.gz JCKYWCBWWIAIJO-NSHDSACASA-N -1 3 349.826 2.052 10 30 EEEEHM C=C1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@@H]2CCCO2)CC1 ZINC001122863924 1310413085 /nfs/dbraw/zinc/41/30/85/1310413085.db2.gz JCKYWCBWWIAIJO-NSHDSACASA-N -1 3 349.826 2.052 10 30 EEEEHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141846357 1315346646 /nfs/dbraw/zinc/34/66/46/1315346646.db2.gz VTXDNAWRGRZUEA-UHFFFAOYSA-N -1 3 343.350 2.396 10 30 EEEEHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141846357 1315346648 /nfs/dbraw/zinc/34/66/48/1315346648.db2.gz VTXDNAWRGRZUEA-UHFFFAOYSA-N -1 3 343.350 2.396 10 30 EEEEHM O=C([C@@H]1CCC2N=NC(=O)N2C1)N([O-])Cc1cccc2ccccc21 ZINC001161842693 1320643636 /nfs/dbraw/zinc/64/36/36/1320643636.db2.gz LZBIBQYMEITIHY-CQSZACIVSA-N -1 3 338.367 2.117 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001263323488 1322460973 /nfs/dbraw/zinc/46/09/73/1322460973.db2.gz RHMYQWGFYXSTQN-GXTWGEPZSA-N -1 3 345.403 2.220 10 30 EEEEHM C=CC(C)(C)C(=O)N[C@H](CCCC)CNC(=O)c1c(C)nc[n-]c1=O ZINC001280595860 1324325660 /nfs/dbraw/zinc/32/56/60/1324325660.db2.gz AVGHDRNCCUQUKK-CYBMUJFWSA-N -1 3 348.447 2.108 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001280712685 1324430181 /nfs/dbraw/zinc/43/01/81/1324430181.db2.gz YWNZIMCLDCKGKG-PHZGNYQRSA-N -1 3 342.439 2.429 10 30 EEEEHM C=CCCCC(=O)NCC1(NC(=O)c2c(C)nc[n-]c2=O)CCCC1 ZINC001285121721 1326876944 /nfs/dbraw/zinc/87/69/44/1326876944.db2.gz JFWNZVGIJCJTHF-UHFFFAOYSA-N -1 3 346.431 2.006 10 30 EEEEHM C#CCCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298114733 1330036767 /nfs/dbraw/zinc/03/67/67/1330036767.db2.gz ZAJAPGDYZLHCKY-GDBMZVCRSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001316716080 1331822576 /nfs/dbraw/zinc/82/25/76/1331822576.db2.gz PUOITCXKBCNOQB-AATRIKPKSA-N -1 3 338.839 2.243 10 30 EEEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(CCF)CC1 ZINC001339606382 1337036717 /nfs/dbraw/zinc/03/67/17/1337036717.db2.gz KEAXPIAUKQWUPQ-UHFFFAOYSA-N -1 3 332.383 2.203 10 30 EEEEHM O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572421107 1343487272 /nfs/dbraw/zinc/48/72/72/1343487272.db2.gz UEDVIAQPTBUPGY-FXAWDEMLSA-N -1 3 338.407 2.059 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572452598 1343495931 /nfs/dbraw/zinc/49/59/31/1343495931.db2.gz DYRSLXCTYHALNU-LSDHHAIUSA-N -1 3 328.412 2.066 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Oc2ccccc2)ccc1O ZINC001625082336 1352439797 /nfs/dbraw/zinc/43/97/97/1352439797.db2.gz FTKUTYINEIPFBH-OAHLLOKOSA-N -1 3 342.351 2.295 10 30 EEEEHM COC(=O)c1cc(NC(=O)c2ccc(C#N)s2)c([O-])c(OC)c1 ZINC001648301786 1353423298 /nfs/dbraw/zinc/42/32/98/1353423298.db2.gz NLGRXXUWXHTACZ-UHFFFAOYSA-N -1 3 332.337 2.373 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649518826 1353545588 /nfs/dbraw/zinc/54/55/88/1353545588.db2.gz GXBFMVLRNWHKLP-RDJZCZTQSA-N -1 3 340.423 2.115 10 30 EEEEHM C#Cc1ccc(C(=O)NCCCN(C)C(=O)c2ccccc2[O-])cc1 ZINC001687569348 1354036473 /nfs/dbraw/zinc/03/64/73/1354036473.db2.gz XRVUXKPCGCIATG-UHFFFAOYSA-N -1 3 336.391 2.266 10 30 EEEEHM CCCCCCN([O-])C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001654819599 1354158855 /nfs/dbraw/zinc/15/88/55/1354158855.db2.gz JJKOCGHKHFZXEP-UHFFFAOYSA-N -1 3 328.434 2.065 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OCC ZINC001663905419 1355051754 /nfs/dbraw/zinc/05/17/54/1355051754.db2.gz MVMSZONEVMSTSS-ZDUSSCGKSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)C(C)(C)C)n1 ZINC001684815902 1358281597 /nfs/dbraw/zinc/28/15/97/1358281597.db2.gz QGAFYMFGGDWWKJ-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=C(C)CCC(=O)N(C)CCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001698989056 1405207218 /nfs/dbraw/zinc/20/72/18/1405207218.db2.gz HDWJQAYGYUJXTA-UHFFFAOYSA-N -1 3 332.448 2.306 10 30 EEEEHM C#CCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000921439849 773374996 /nfs/dbraw/zinc/37/49/96/773374996.db2.gz LHBZIGMARAWLNW-UHFFFAOYSA-N -1 3 347.267 2.369 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847468 785787541 /nfs/dbraw/zinc/78/75/41/785787541.db2.gz RFVYHMTXSQCBQO-SJORKVTESA-N -1 3 345.443 2.370 10 30 EEEEHM COc1cccc([O-])c1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000824792462 800291182 /nfs/dbraw/zinc/29/11/82/800291182.db2.gz GPEAEKAPZHUANK-LJQANCHMSA-N -1 3 337.379 2.493 10 30 EEEEHM CC(C)C#CC(=O)N1CCC2(C[C@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001493397764 1108072102 /nfs/dbraw/zinc/07/21/02/1108072102.db2.gz UKYYLNPLVIWUSR-QGZVFWFLSA-N -1 3 340.423 2.163 10 30 EEEEHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463586761 1110376941 /nfs/dbraw/zinc/37/69/41/1110376941.db2.gz AUDOQTJAZHAXKB-SECBINFHSA-N -1 3 344.845 2.002 10 30 EEEEHM COC[C@](C)(C#N)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001465849193 1110424822 /nfs/dbraw/zinc/42/48/22/1110424822.db2.gz ROOARRIJCCKPAO-AWEZNQCLSA-N -1 3 340.405 2.149 10 30 EEEEHM CCn1cc(-c2nn(C)cc2C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC001472622306 1110560884 /nfs/dbraw/zinc/56/08/84/1110560884.db2.gz IMNJULOHWNYEKN-UHFFFAOYSA-N -1 3 343.362 2.474 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@](C)(C2CC2)C1 ZINC001515691855 1118982185 /nfs/dbraw/zinc/98/21/85/1118982185.db2.gz WPULSNWSHAIXQB-KRWDZBQOSA-N -1 3 345.403 2.220 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)CCC)n1 ZINC001519542029 1119084889 /nfs/dbraw/zinc/08/48/89/1119084889.db2.gz XSCSSSSDHUMKQU-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000303550507 539735118 /nfs/dbraw/zinc/73/51/18/539735118.db2.gz LOSHGDZIWXEMSV-UHFFFAOYSA-N -1 3 340.264 2.300 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCC(=O)c1ccc(C(=O)OCC)cc1 ZINC000438881611 242058643 /nfs/dbraw/zinc/05/86/43/242058643.db2.gz GFFRAOWUURDNPG-UHFFFAOYSA-N -1 3 347.396 2.321 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n[n-]1 ZINC000189590704 160144117 /nfs/dbraw/zinc/14/41/17/160144117.db2.gz JWDSNIHALUCVFO-UHFFFAOYSA-N -1 3 332.367 2.352 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)[n-]n1 ZINC000189590704 160144118 /nfs/dbraw/zinc/14/41/18/160144118.db2.gz JWDSNIHALUCVFO-UHFFFAOYSA-N -1 3 332.367 2.352 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)s1 ZINC000331235559 268202302 /nfs/dbraw/zinc/20/23/02/268202302.db2.gz KCXUMPBRUKOAPA-DGCLKSJQSA-N -1 3 328.459 2.229 10 30 EEEEHM CCN(Cc1ccco1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045373664 462581561 /nfs/dbraw/zinc/58/15/61/462581561.db2.gz PDRUYRIWMJYZDJ-UHFFFAOYSA-N -1 3 327.384 2.438 10 30 EEEEHM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nnc2n1CCCCC2 ZINC000115906260 462733845 /nfs/dbraw/zinc/73/38/45/462733845.db2.gz OKBUJCVSOUUGCE-OAHLLOKOSA-N -1 3 347.382 2.075 10 30 EEEEHM C=C[C@@H](CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000282944574 463709589 /nfs/dbraw/zinc/70/95/89/463709589.db2.gz PYLYATXRURXEBN-ZFWWWQNUSA-N -1 3 326.400 2.164 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000273416308 464715615 /nfs/dbraw/zinc/71/56/15/464715615.db2.gz JWURFDGUMXKBAB-MRVPVSSYSA-N -1 3 340.264 2.034 10 30 EEEEHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C#N)nc2)[n-]1 ZINC000362514952 465796699 /nfs/dbraw/zinc/79/66/99/465796699.db2.gz CNBCREAVDVJNON-UHFFFAOYSA-N -1 3 341.371 2.448 10 30 EEEEHM CCCCc1nc(NC(=O)c2ccc(C#N)nc2)c(C(=O)OCC)[n-]1 ZINC000362514952 465796702 /nfs/dbraw/zinc/79/67/02/465796702.db2.gz CNBCREAVDVJNON-UHFFFAOYSA-N -1 3 341.371 2.448 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)c1ccsc1 ZINC000354264875 466428262 /nfs/dbraw/zinc/42/82/62/466428262.db2.gz LPZJWKSJFZYXTC-HNNXBMFYSA-N -1 3 345.424 2.120 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420696143 467456228 /nfs/dbraw/zinc/45/62/28/467456228.db2.gz XZPJSAFBCDANEI-SECBINFHSA-N -1 3 341.763 2.157 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594852583 468705661 /nfs/dbraw/zinc/70/56/61/468705661.db2.gz LSXCUAMJISIFMF-SDDRHHMPSA-N -1 3 335.385 2.181 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCOC3)s1 ZINC000601512225 468902066 /nfs/dbraw/zinc/90/20/66/468902066.db2.gz ADYXUGMIXMOMQL-UHFFFAOYSA-N -1 3 334.422 2.171 10 30 EEEEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000593552105 469031273 /nfs/dbraw/zinc/03/12/73/469031273.db2.gz NXJFBDJQSCWXAZ-UHFFFAOYSA-N -1 3 327.456 2.160 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000593556300 469033093 /nfs/dbraw/zinc/03/30/93/469033093.db2.gz GICCVEZJITVZPY-ZDUSSCGKSA-N -1 3 336.438 2.064 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000593591309 469048933 /nfs/dbraw/zinc/04/89/33/469048933.db2.gz SPSLJSLEWGUDLU-GFCCVEGCSA-N -1 3 328.459 2.087 10 30 EEEEHM Cc1nc([C@](C)([N-]S(=O)(=O)CC2(C#N)CCCC2)C2CC2)no1 ZINC000574230213 469269902 /nfs/dbraw/zinc/26/99/02/469269902.db2.gz GUCDHRLLBWABRM-CQSZACIVSA-N -1 3 338.433 2.007 10 30 EEEEHM C=CCCn1cc(CS(=O)(=O)Cc2cc([O-])ccc2Cl)nn1 ZINC000629324096 469506373 /nfs/dbraw/zinc/50/63/73/469506373.db2.gz QYZVDZRCCRDOTI-UHFFFAOYSA-N -1 3 341.820 2.328 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)[C@H]1CCCCO1 ZINC000619548091 469636797 /nfs/dbraw/zinc/63/67/97/469636797.db2.gz MEESHTSKLHKZEB-GFCCVEGCSA-N -1 3 328.459 2.493 10 30 EEEEHM C=C[C@@H](C)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625055772 470067599 /nfs/dbraw/zinc/06/75/99/470067599.db2.gz NSZTYEHBDAQJED-MRVPVSSYSA-N -1 3 325.308 2.447 10 30 EEEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000656619326 471785191 /nfs/dbraw/zinc/78/51/91/471785191.db2.gz MXCHUZIOFXMHMN-CZUORRHYSA-N -1 3 341.429 2.045 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)CCC1 ZINC000349626502 534561705 /nfs/dbraw/zinc/56/17/05/534561705.db2.gz OEAAYLUTLTYFIX-UHFFFAOYSA-N -1 3 339.364 2.275 10 30 EEEEHM O=C(CC(F)(F)F)N1CCC(/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000726891858 576337322 /nfs/dbraw/zinc/33/73/22/576337322.db2.gz QZURAGFWMZBPAZ-UFWORHAWSA-N -1 3 346.305 2.166 10 30 EEEEHM C#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000733287976 577219375 /nfs/dbraw/zinc/21/93/75/577219375.db2.gz XAYTXUBDCQYWQH-UHFFFAOYSA-N -1 3 346.383 2.380 10 30 EEEEHM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)cc1C#N ZINC000751514926 577754658 /nfs/dbraw/zinc/75/46/58/577754658.db2.gz ICMVDQVXJJQPJM-UHFFFAOYSA-N -1 3 345.355 2.056 10 30 EEEEHM COC(=O)c1ccc(NN=C2C(=O)[N-]c3c2cccc3F)c(OC)c1 ZINC000756902071 577852870 /nfs/dbraw/zinc/85/28/70/577852870.db2.gz COWWJDPZYJASPN-UHFFFAOYSA-N -1 3 343.314 2.389 10 30 EEEEHM C=C(C)CCNC(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000895147931 684120490 /nfs/dbraw/zinc/12/04/90/684120490.db2.gz XOTBUNOYZQBTLP-ZDUSSCGKSA-N -1 3 333.436 2.150 10 30 EEEEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928805737 687385383 /nfs/dbraw/zinc/38/53/83/687385383.db2.gz JIGFEDOJGIYCQM-MRVPVSSYSA-N -1 3 330.310 2.363 10 30 EEEEHM CS(=O)(=O)CC1(CC(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000904197004 694325987 /nfs/dbraw/zinc/32/59/87/694325987.db2.gz NZQBTEWHQLDHJA-UHFFFAOYSA-N -1 3 339.457 2.442 10 30 EEEEHM CCCCCCN([O-])C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000904204078 694328321 /nfs/dbraw/zinc/32/83/21/694328321.db2.gz DLCUHMDLEWFAPD-UHFFFAOYSA-N -1 3 328.434 2.399 10 30 EEEEHM C=CC(C)(C)CC(=O)NCCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001266278566 1176085492 /nfs/dbraw/zinc/08/54/92/1176085492.db2.gz KMSAKBJIRGONAF-UHFFFAOYSA-N -1 3 332.448 2.210 10 30 EEEEHM C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001267724324 1180288963 /nfs/dbraw/zinc/28/89/63/1180288963.db2.gz XOOSZCOYBZTSEI-AWEZNQCLSA-N -1 3 344.459 2.352 10 30 EEEEHM C#CCCN[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])c1ccccc1CC ZINC001271444999 1186230854 /nfs/dbraw/zinc/23/08/54/1186230854.db2.gz DONXRHZZQPIXLQ-INIZCTEOSA-N -1 3 340.427 2.070 10 30 EEEEHM C=C[C@H](CC)CC(=O)N[C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001746151486 1187554763 /nfs/dbraw/zinc/55/47/63/1187554763.db2.gz MUCJRKJJFRMFEV-CHWSQXEVSA-N -1 3 343.431 2.185 10 30 EEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000867568866 1201635033 /nfs/dbraw/zinc/63/50/33/1201635033.db2.gz QKTBSYXCMIGTGR-ZDUSSCGKSA-N -1 3 336.438 2.127 10 30 EEEEHM Cn1cc(CCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000901378074 1235640885 /nfs/dbraw/zinc/64/08/85/1235640885.db2.gz HINUJQFOMHTZAN-UHFFFAOYSA-N -1 3 329.187 2.473 10 30 EEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000859428129 1294436178 /nfs/dbraw/zinc/43/61/78/1294436178.db2.gz WHIGIGLBERHAPE-CYBMUJFWSA-N -1 3 336.438 2.127 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000863301888 1296208659 /nfs/dbraw/zinc/20/86/59/1296208659.db2.gz UJOWHYPGFKPLSM-CQSZACIVSA-N -1 3 342.298 2.311 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001286320562 1327372477 /nfs/dbraw/zinc/37/24/77/1327372477.db2.gz GVZAAHJROXXBEE-HUUCEWRRSA-N -1 3 328.412 2.209 10 30 EEEEHM O=C(CC#Cc1ccccc1)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001295168201 1329785907 /nfs/dbraw/zinc/78/59/07/1329785907.db2.gz UHLVXPVNINWRMG-CALCHBBNSA-N -1 3 348.402 2.211 10 30 EEEEHM C=CCOCC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001297890248 1330012051 /nfs/dbraw/zinc/01/20/51/1330012051.db2.gz KJLLKZUMYMCKOY-OAHLLOKOSA-N -1 3 346.427 2.096 10 30 EEEEHM O=C(C#CC1CC1)NC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298893771 1330131979 /nfs/dbraw/zinc/13/19/79/1330131979.db2.gz LORSMQOGXKLBKG-NVXWUHKLSA-N -1 3 340.423 2.210 10 30 EEEEHM C#CCCCCC(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001492084360 1330992132 /nfs/dbraw/zinc/99/21/32/1330992132.db2.gz RNHUALMAPXIIBO-UHFFFAOYSA-N -1 3 328.412 2.307 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001340595588 1337212330 /nfs/dbraw/zinc/21/23/30/1337212330.db2.gz ZWVKFWUZUMGLQB-QWRGUYRKSA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001340595588 1337212333 /nfs/dbraw/zinc/21/23/33/1337212333.db2.gz ZWVKFWUZUMGLQB-QWRGUYRKSA-N -1 3 349.826 2.050 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001346356280 1337483419 /nfs/dbraw/zinc/48/34/19/1337483419.db2.gz SHGYRIDCPRPFSO-OLZOCXBDSA-N -1 3 344.419 2.021 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001558678062 1342486501 /nfs/dbraw/zinc/48/65/01/1342486501.db2.gz PFPQFTURXNLLBV-NHYWBVRUSA-N -1 3 335.356 2.107 10 30 EEEEHM CCOc1ccc(C#N)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001597433246 1349924295 /nfs/dbraw/zinc/92/42/95/1349924295.db2.gz ZMKJVXNECDIHME-UHFFFAOYSA-N -1 3 328.284 2.218 10 30 EEEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001662079736 1354747223 /nfs/dbraw/zinc/74/72/23/1354747223.db2.gz AMHGJFSXUKDSGA-OAHLLOKOSA-N -1 3 327.377 2.083 10 30 EEEEHM CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001687982958 1358711581 /nfs/dbraw/zinc/71/15/81/1358711581.db2.gz KMWPXNZEVIHUKQ-IYBDPMFKSA-N -1 3 340.423 2.401 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2cscc2C(F)F)nn1 ZINC000918746342 769365266 /nfs/dbraw/zinc/36/52/66/769365266.db2.gz WKIRGKWVQYDVRF-UHFFFAOYSA-N -1 3 348.400 2.332 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000816690325 784198135 /nfs/dbraw/zinc/19/81/35/784198135.db2.gz OPQCVNLESZCUCM-MRXNPFEDSA-N -1 3 348.362 2.017 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2ccccc2Cl)n1 ZINC000816696312 784202599 /nfs/dbraw/zinc/20/25/99/784202599.db2.gz WGFMLFVYTSAVPI-JTQLQIEISA-N -1 3 337.788 2.183 10 30 EEEEHM C[C@H]1Cc2cc(C[N-]S(=O)(=O)c3ccsc3C#N)ccc2O1 ZINC000921589829 789816855 /nfs/dbraw/zinc/81/68/55/789816855.db2.gz HJJFIWBVFMVVFN-JTQLQIEISA-N -1 3 334.422 2.422 10 30 EEEEHM Cc1cn2c(ncc(C(=O)N([O-])Cc3ccc(F)cc3)c2=O)s1 ZINC001184348343 801996980 /nfs/dbraw/zinc/99/69/80/801996980.db2.gz MOQZDFGLELTYGI-UHFFFAOYSA-N -1 3 333.344 2.235 10 30 EEEEHM C#CCCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001443448375 1097953976 /nfs/dbraw/zinc/95/39/76/1097953976.db2.gz IQAJZCGNSZXDDP-UHFFFAOYSA-N -1 3 347.378 2.199 10 30 EEEEHM C#CCCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001443448375 1097953983 /nfs/dbraw/zinc/95/39/83/1097953983.db2.gz IQAJZCGNSZXDDP-UHFFFAOYSA-N -1 3 347.378 2.199 10 30 EEEEHM C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001494756321 1104339658 /nfs/dbraw/zinc/33/96/58/1104339658.db2.gz XOOSZCOYBZTSEI-CQSZACIVSA-N -1 3 344.459 2.352 10 30 EEEEHM N#Cc1cc([N+](=O)[O-])c(NCCNC(=O)c2ccc([O-])cc2)cc1F ZINC001472659545 1110561723 /nfs/dbraw/zinc/56/17/23/1110561723.db2.gz SXUOCHDBTMKNDA-UHFFFAOYSA-N -1 3 344.302 2.153 10 30 EEEEHM C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001512140650 1118422157 /nfs/dbraw/zinc/42/21/57/1118422157.db2.gz VNHWHIKMAIAQNR-HUUCEWRRSA-N -1 3 346.427 2.094 10 30 EEEEHM C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001514779990 1118869471 /nfs/dbraw/zinc/86/94/71/1118869471.db2.gz PGXDVZPVKYMKRK-BARDWOONSA-N -1 3 330.428 2.475 10 30 EEEEHM C=CCCn1cc(C(=O)[N-]c2nc(-c3cccnc3)ns2)nn1 ZINC001534121922 1123295822 /nfs/dbraw/zinc/29/58/22/1123295822.db2.gz WGMHYWUXUUWZJL-UHFFFAOYSA-N -1 3 327.373 2.020 10 30 EEEEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000420734220 239926835 /nfs/dbraw/zinc/92/68/35/239926835.db2.gz VSPOYOKNXLGJOK-NEPJUHHUSA-N -1 3 328.821 2.448 10 30 EEEEHM C=CCSCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442767345 242108646 /nfs/dbraw/zinc/10/86/46/242108646.db2.gz QQYHBUFNRGAESX-UHFFFAOYSA-N -1 3 326.365 2.298 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C)cs1 ZINC000489204123 267223570 /nfs/dbraw/zinc/22/35/70/267223570.db2.gz JUPPHXQSIYDJHN-ZDUSSCGKSA-N -1 3 336.442 2.456 10 30 EEEEHM CCc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c([O-])c1 ZINC000436843394 267247456 /nfs/dbraw/zinc/24/74/56/267247456.db2.gz ZFHGXOMKFOQOCU-UHFFFAOYSA-N -1 3 336.395 2.184 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)Cc3cncc([O-])c3)CCOCC2)cc1 ZINC000530059343 268210649 /nfs/dbraw/zinc/21/06/49/268210649.db2.gz DPKIIEWGYBDRFP-UHFFFAOYSA-N -1 3 337.379 2.023 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000433439291 268325090 /nfs/dbraw/zinc/32/50/90/268325090.db2.gz IKBXQYXFUPCTRS-UHFFFAOYSA-N -1 3 343.742 2.363 10 30 EEEEHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1 ZINC000566308686 319273144 /nfs/dbraw/zinc/27/31/44/319273144.db2.gz ONENUPXMAYIEBP-AWEZNQCLSA-N -1 3 333.417 2.459 10 30 EEEEHM C=C[C@@H](CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000282944558 463709577 /nfs/dbraw/zinc/70/95/77/463709577.db2.gz PYLYATXRURXEBN-DZGCQCFKSA-N -1 3 326.400 2.164 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(CC#N)CC1 ZINC000541985491 468383334 /nfs/dbraw/zinc/38/33/34/468383334.db2.gz YZJMPXZEBBICNK-UHFFFAOYSA-N -1 3 339.399 2.317 10 30 EEEEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000178404925 463895335 /nfs/dbraw/zinc/89/53/35/463895335.db2.gz QKKJMNRPPXWILZ-OAHLLOKOSA-N -1 3 344.392 2.141 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000281549967 464498670 /nfs/dbraw/zinc/49/86/70/464498670.db2.gz STQQIVOFYCXNLE-NSHDSACASA-N -1 3 331.821 2.148 10 30 EEEEHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000341141167 466613371 /nfs/dbraw/zinc/61/33/71/466613371.db2.gz VRRMCLIMCVTNPP-UHFFFAOYSA-N -1 3 349.393 2.496 10 30 EEEEHM C=C(C)CN1CCC(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424405993 467042496 /nfs/dbraw/zinc/04/24/96/467042496.db2.gz IQCBGWIMMNBIIQ-AWEZNQCLSA-N -1 3 325.453 2.073 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000425177179 467087291 /nfs/dbraw/zinc/08/72/91/467087291.db2.gz DZQGSGAKJCEPGB-GWCFXTLKSA-N -1 3 326.805 2.081 10 30 EEEEHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)C2CC2)s1 ZINC000589897729 468193673 /nfs/dbraw/zinc/19/36/73/468193673.db2.gz BKPABTHXSKYOPA-CQSZACIVSA-N -1 3 348.453 2.456 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594484857 468604710 /nfs/dbraw/zinc/60/47/10/468604710.db2.gz NDDDLJYEAFAQHG-FZMZJTMJSA-N -1 3 326.443 2.246 10 30 EEEEHM Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000594800852 468691056 /nfs/dbraw/zinc/69/10/56/468691056.db2.gz IIIFKJAANUDWPC-LBPRGKRZSA-N -1 3 333.388 2.310 10 30 EEEEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)O1 ZINC000594851881 468704946 /nfs/dbraw/zinc/70/49/46/468704946.db2.gz MEHHOVJRGFXTIS-JQWIXIFHSA-N -1 3 328.821 2.448 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)OC ZINC000601502225 468897503 /nfs/dbraw/zinc/89/75/03/468897503.db2.gz SPGHHRORDIBQEG-GFCCVEGCSA-N -1 3 335.784 2.265 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cccc2c1CCOC2 ZINC000601514024 468902914 /nfs/dbraw/zinc/90/29/14/468902914.db2.gz JKBDYTYLWVSHLE-UHFFFAOYSA-N -1 3 334.422 2.171 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)c(F)c1 ZINC000601517007 468904064 /nfs/dbraw/zinc/90/40/64/468904064.db2.gz NSGVIJHRUNSCTN-HOCLYGCPSA-N -1 3 338.404 2.323 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)CCC1 ZINC000584688238 468912873 /nfs/dbraw/zinc/91/28/73/468912873.db2.gz JMKICUXEHWSNAL-UHFFFAOYSA-N -1 3 331.397 2.455 10 30 EEEEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1F ZINC000572771768 468990073 /nfs/dbraw/zinc/99/00/73/468990073.db2.gz UEKXSEAJTPWHDW-DOMZBBRYSA-N -1 3 340.420 2.251 10 30 EEEEHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]2CCCO[C@H]21 ZINC000593553574 469032581 /nfs/dbraw/zinc/03/25/81/469032581.db2.gz SRNLXQJPQOHZQV-ZWKOPEQDSA-N -1 3 326.443 2.102 10 30 EEEEHM N#CCSCC(=O)Nc1cc(I)ccc1[O-] ZINC000611156352 469175623 /nfs/dbraw/zinc/17/56/23/469175623.db2.gz CKBXPIJBNNCJBC-UHFFFAOYSA-N -1 3 348.165 2.192 10 30 EEEEHM Cc1nc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)[nH]c1C ZINC000596620972 469313876 /nfs/dbraw/zinc/31/38/76/469313876.db2.gz JNEAJCNERKTHHC-UHFFFAOYSA-N -1 3 338.371 2.451 10 30 EEEEHM COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1 ZINC000610244449 469992566 /nfs/dbraw/zinc/99/25/66/469992566.db2.gz LUKMINNGBQTHPK-UHFFFAOYSA-N -1 3 326.356 2.251 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)[C@@H]1CCCO1 ZINC000773060364 577313453 /nfs/dbraw/zinc/31/34/53/577313453.db2.gz ZVGCMPUHRTWRPY-STQMWFEESA-N -1 3 331.796 2.247 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN(CCC#N)Cc1ccco1 ZINC000747963374 577953088 /nfs/dbraw/zinc/95/30/88/577953088.db2.gz WEBWYKDVCJKACK-CQSZACIVSA-N -1 3 341.415 2.223 10 30 EEEEHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(C2CC2)CCC1 ZINC000904187784 694317735 /nfs/dbraw/zinc/31/77/35/694317735.db2.gz TWJORTUZIXIXCF-UHFFFAOYSA-N -1 3 342.395 2.471 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000904205336 694328237 /nfs/dbraw/zinc/32/82/37/694328237.db2.gz IIUFRTSJNNFLDE-GFCCVEGCSA-N -1 3 325.409 2.038 10 30 EEEEHM N#CCCc1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000905107367 694531400 /nfs/dbraw/zinc/53/14/00/694531400.db2.gz BZJFWIZQQRVKDU-UHFFFAOYSA-N -1 3 327.431 2.061 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C2CCCC2)n1 ZINC001691418864 1178031729 /nfs/dbraw/zinc/03/17/29/1178031729.db2.gz NAQDASOTYBKNOB-UHFFFAOYSA-N -1 3 344.459 2.128 10 30 EEEEHM C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001267487151 1179152380 /nfs/dbraw/zinc/15/23/80/1179152380.db2.gz AYLXMBRVFVTDLE-CYBMUJFWSA-N -1 3 344.415 2.431 10 30 EEEEHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCSC1 ZINC001126998438 1189915167 /nfs/dbraw/zinc/91/51/67/1189915167.db2.gz QDEUVMZXQRDICJ-CQSZACIVSA-N -1 3 339.367 2.252 10 30 EEEEHM C#CCC1(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001486656417 1194138900 /nfs/dbraw/zinc/13/89/00/1194138900.db2.gz RSCIZAARYOYDLJ-ZIAGYGMSSA-N -1 3 328.412 2.209 10 30 EEEEHM CO[C@@H]1CC[C@@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000870706099 1200825913 /nfs/dbraw/zinc/82/59/13/1200825913.db2.gz MUCVFHNCLUNLMW-BXUZGUMPSA-N -1 3 331.416 2.234 10 30 EEEEHM CCN(c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1)C(C)C ZINC000866108334 1201435191 /nfs/dbraw/zinc/43/51/91/1201435191.db2.gz QESAIRJTUIFIIJ-HNNXBMFYSA-N -1 3 334.420 2.423 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1ccccc1)C(=O)OCC ZINC000882644503 1201912845 /nfs/dbraw/zinc/91/28/45/1201912845.db2.gz HSKQVQZPXZGLJJ-OAHLLOKOSA-N -1 3 325.430 2.046 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F)C(C)(C)C ZINC001190909996 1281145393 /nfs/dbraw/zinc/14/53/93/1281145393.db2.gz KJXRHHCEHYOYHU-CQSZACIVSA-N -1 3 341.404 2.329 10 30 EEEEHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867108702 1283267446 /nfs/dbraw/zinc/26/74/46/1283267446.db2.gz ZUDIKZLMBVDEIY-ZETCQYMHSA-N -1 3 330.822 2.315 10 30 EEEEHM C#CCCN1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000857041117 1293705783 /nfs/dbraw/zinc/70/57/83/1293705783.db2.gz NCUHFFLGOBBRAV-UHFFFAOYSA-N -1 3 326.318 2.192 10 30 EEEEHM CCc1[nH]nc(Cl)c1C=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000863097662 1296116213 /nfs/dbraw/zinc/11/62/13/1296116213.db2.gz NHRXVMZQWZXMPO-UHFFFAOYSA-N -1 3 340.836 2.122 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001161826606 1320640352 /nfs/dbraw/zinc/64/03/52/1320640352.db2.gz HHWTWGFTWAQZND-HNNXBMFYSA-N -1 3 340.445 2.248 10 30 EEEEHM C=C(C)CCC(=O)NC[C@@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC001265779602 1323376293 /nfs/dbraw/zinc/37/62/93/1323376293.db2.gz MPDLYMVAUCSALA-LLVKDONJSA-N -1 3 334.445 2.348 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@]1(NC(=O)c2cn[n-]n2)CCCC[C@H]1C ZINC001285152181 1326891317 /nfs/dbraw/zinc/89/13/17/1326891317.db2.gz TZOWQUBAJFYHIH-FZKQIMNGSA-N -1 3 347.463 2.202 10 30 EEEEHM CC(C)C#CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001285787854 1327153155 /nfs/dbraw/zinc/15/31/55/1327153155.db2.gz IYCCUKOACMWCTP-NVXWUHKLSA-N -1 3 342.439 2.456 10 30 EEEEHM C=CCCC(=O)N[C@H](CNC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC001288196181 1327659708 /nfs/dbraw/zinc/65/97/08/1327659708.db2.gz OMDRXTDANXYGMT-CQSZACIVSA-N -1 3 343.431 2.185 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001296643569 1329905747 /nfs/dbraw/zinc/90/57/47/1329905747.db2.gz UQTISAWEBVSNHR-HNNXBMFYSA-N -1 3 342.439 2.409 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001337439448 1336702143 /nfs/dbraw/zinc/70/21/43/1336702143.db2.gz ZTDGEMWSYWCFCE-KZULUSFZSA-N -1 3 343.431 2.137 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001342129448 1337310002 /nfs/dbraw/zinc/31/00/02/1337310002.db2.gz MRTWDKVAEXZTSO-OAHLLOKOSA-N -1 3 348.357 2.252 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001346356213 1337483415 /nfs/dbraw/zinc/48/34/15/1337483415.db2.gz RVNLTDXGHDAWLO-AAEUAGOBSA-N -1 3 332.383 2.201 10 30 EEEEHM C[C@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)c1ncccc1[O-] ZINC001669800077 1356212993 /nfs/dbraw/zinc/21/29/93/1356212993.db2.gz GQRBKLABGHFPDZ-CQSZACIVSA-N -1 3 341.386 2.028 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(=O)OC ZINC001622449861 1352383377 /nfs/dbraw/zinc/38/33/77/1352383377.db2.gz DBXKAWUFEJSXNB-BBBYJDLNSA-N -1 3 329.462 2.384 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001627091492 1352483024 /nfs/dbraw/zinc/48/30/24/1352483024.db2.gz PTYXKLFELSFMBI-STQMWFEESA-N -1 3 337.379 2.162 10 30 EEEEHM N#Cc1ccc(N[C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nc1 ZINC001651438177 1354052898 /nfs/dbraw/zinc/05/28/98/1354052898.db2.gz DNLAJPWJPGFKLL-LBPRGKRZSA-N -1 3 340.343 2.043 10 30 EEEEHM C#C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Br)cc1 ZINC001655512137 1354176043 /nfs/dbraw/zinc/17/60/43/1354176043.db2.gz CALLCVKBDCHTEE-LBPRGKRZSA-N -1 3 328.173 2.275 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001681564512 1358032048 /nfs/dbraw/zinc/03/20/48/1358032048.db2.gz KJMSCCCHVIBAHM-NEPJUHHUSA-N -1 3 348.447 2.106 10 30 EEEEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000588447903 759997141 /nfs/dbraw/zinc/99/71/41/759997141.db2.gz CPUCHUWREXSSLJ-FPAJZGIOSA-N -1 3 338.323 2.323 10 30 EEEEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000588447903 759997147 /nfs/dbraw/zinc/99/71/47/759997147.db2.gz CPUCHUWREXSSLJ-FPAJZGIOSA-N -1 3 338.323 2.323 10 30 EEEEHM CCc1ccc(C#CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000816780052 784257596 /nfs/dbraw/zinc/25/75/96/784257596.db2.gz SLRCBUIYHKVFOR-UHFFFAOYSA-N -1 3 349.390 2.135 10 30 EEEEHM N#Cc1c(F)cc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1F ZINC000907976518 785002961 /nfs/dbraw/zinc/00/29/61/785002961.db2.gz VGKFCLXZZBEEEF-UHFFFAOYSA-N -1 3 330.294 2.139 10 30 EEEEHM N#Cc1cc([N-]C(=O)c2cn(C3CC3)nn2)c(Cl)c([N+](=O)[O-])c1 ZINC001127331828 795480547 /nfs/dbraw/zinc/48/05/47/795480547.db2.gz UUXZMSPMMWOPBK-UHFFFAOYSA-N -1 3 332.707 2.299 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)OCC#Cc2ccccc2)c([O-])c1 ZINC000791360224 809212809 /nfs/dbraw/zinc/21/28/09/809212809.db2.gz OHCWQTGFHTYXSN-UHFFFAOYSA-N -1 3 337.375 2.415 10 30 EEEEHM C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495785334 1101594356 /nfs/dbraw/zinc/59/43/56/1101594356.db2.gz XKMIKMLZMYMPQS-KGLIPLIRSA-N -1 3 329.400 2.053 10 30 EEEEHM C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495785336 1101595356 /nfs/dbraw/zinc/59/53/56/1101595356.db2.gz XKMIKMLZMYMPQS-UONOGXRCSA-N -1 3 329.400 2.053 10 30 EEEEHM C[C@@H](NC(=O)c1ccccc1OCC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001472109414 1110543188 /nfs/dbraw/zinc/54/31/88/1110543188.db2.gz OCFWGBRXOPGRMI-MRVPVSSYSA-N -1 3 339.277 2.217 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)CCc1cccc(F)c1)C(=O)OCC ZINC001475305020 1110610028 /nfs/dbraw/zinc/61/00/28/1110610028.db2.gz HCYKRCXVYMCGLA-OAHLLOKOSA-N -1 3 343.420 2.186 10 30 EEEEHM C=CCCC(=O)N[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H]1C ZINC001507369646 1115229179 /nfs/dbraw/zinc/22/91/79/1115229179.db2.gz RIDDMSHOKJJRJZ-XJKSGUPXSA-N -1 3 344.459 2.495 10 30 EEEEHM CC(C)C#CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001509546634 1115851524 /nfs/dbraw/zinc/85/15/24/1115851524.db2.gz IEKZFLHNEQVGHQ-INIZCTEOSA-N -1 3 328.412 2.018 10 30 EEEEHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001511147779 1117966181 /nfs/dbraw/zinc/96/61/81/1117966181.db2.gz VMHJNVBEBKNYOK-HOCLYGCPSA-N -1 3 328.412 2.305 10 30 EEEEHM C#CCCCC(=O)NCCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001512536520 1118576098 /nfs/dbraw/zinc/57/60/98/1118576098.db2.gz HTSKMTLMSHKSNK-UHFFFAOYSA-N -1 3 340.423 2.474 10 30 EEEEHM C#C[C@H]1CCCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001514664341 1118826300 /nfs/dbraw/zinc/82/63/00/1118826300.db2.gz UJNRLPLSDJJJTC-LBPRGKRZSA-N -1 3 340.832 2.339 10 30 EEEEHM C=CCC1(C(=O)N2CCC[C@H](NC(=O)c3cn[n-]n3)C2)CCCCC1 ZINC001530256745 1121898733 /nfs/dbraw/zinc/89/87/33/1121898733.db2.gz DILXQMVOOUZADU-AWEZNQCLSA-N -1 3 345.447 2.052 10 30 EEEEHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416373932 239207890 /nfs/dbraw/zinc/20/78/90/239207890.db2.gz PJOKUOZEXAFRSD-WCBMZHEXSA-N -1 3 329.219 2.255 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)cs1 ZINC000151169683 292470420 /nfs/dbraw/zinc/47/04/20/292470420.db2.gz OTWUGFHLYMGMOQ-UHFFFAOYSA-N -1 3 325.390 2.195 10 30 EEEEHM N#Cc1ccccc1N1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000364607823 165206394 /nfs/dbraw/zinc/20/63/94/165206394.db2.gz PEIOIQJOTCMTEX-CQSZACIVSA-N -1 3 331.397 2.099 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOCC2CCC2)c1 ZINC000567556576 319389650 /nfs/dbraw/zinc/38/96/50/319389650.db2.gz YSYUPCIBWMCJRT-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)cc3)cn21 ZINC000569439187 319575869 /nfs/dbraw/zinc/57/58/69/319575869.db2.gz TZDIAMXBTYSHPE-LBPRGKRZSA-N -1 3 330.413 2.131 10 30 EEEEHM CN1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccccc21 ZINC000582946110 324560324 /nfs/dbraw/zinc/56/03/24/324560324.db2.gz LNXBHZLVCOSFFW-CQSZACIVSA-N -1 3 342.424 2.203 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000328879194 465155383 /nfs/dbraw/zinc/15/53/83/465155383.db2.gz VBSRKABEPWCPSB-PBHICJAKSA-N -1 3 343.427 2.236 10 30 EEEEHM COc1ccccc1-c1nc(NC(=O)CNC(=O)C2CCCC2)n[n-]1 ZINC000052779095 463105255 /nfs/dbraw/zinc/10/52/55/463105255.db2.gz PYSLDNIWZSKLOF-UHFFFAOYSA-N -1 3 343.387 2.375 10 30 EEEEHM C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2[O-])CCCC3)C1=O ZINC000281875831 464618294 /nfs/dbraw/zinc/61/82/94/464618294.db2.gz ZVXLVTBMNRHJBH-INIZCTEOSA-N -1 3 328.412 2.130 10 30 EEEEHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)nn1CCC#N ZINC000348825895 465821132 /nfs/dbraw/zinc/82/11/32/465821132.db2.gz IXPIDFWITFGUCT-UHFFFAOYSA-N -1 3 338.346 2.887 10 30 EEEEHM N#C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCN1C1CC1 ZINC000370400909 466861838 /nfs/dbraw/zinc/86/18/38/466861838.db2.gz SLKUZFJYVVMMEN-OAHLLOKOSA-N -1 3 325.412 2.083 10 30 EEEEHM COCCS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C ZINC000424070463 466971699 /nfs/dbraw/zinc/97/16/99/466971699.db2.gz RWRZAVOVPJRCMH-UHFFFAOYSA-N -1 3 333.207 2.017 10 30 EEEEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)O1 ZINC000494271928 468041259 /nfs/dbraw/zinc/04/12/59/468041259.db2.gz UVBQREKQAGKIGI-ZDUSSCGKSA-N -1 3 326.393 2.074 10 30 EEEEHM C=CCCCCCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000571178143 468752464 /nfs/dbraw/zinc/75/24/64/468752464.db2.gz XRZYTBMHVGRWFQ-SFHVURJKSA-N -1 3 329.400 2.217 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000584540407 468896287 /nfs/dbraw/zinc/89/62/87/468896287.db2.gz XQCFTJUKVILSGA-UHFFFAOYSA-N -1 3 330.475 2.409 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)CCCC1 ZINC000601512874 468901787 /nfs/dbraw/zinc/90/17/87/468901787.db2.gz DVSURGYHGCHYCG-CABCVRRESA-N -1 3 326.462 2.337 10 30 EEEEHM C=CCCCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000565206811 469268504 /nfs/dbraw/zinc/26/85/04/469268504.db2.gz HJSPKOQMHKAQLE-GFCCVEGCSA-N -1 3 330.475 2.278 10 30 EEEEHM C=CCCCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000655246449 471291593 /nfs/dbraw/zinc/29/15/93/471291593.db2.gz GXXVHMQGQUYHNA-ZDUSSCGKSA-N -1 3 342.436 2.355 10 30 EEEEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000434359689 485714408 /nfs/dbraw/zinc/71/44/08/485714408.db2.gz MIMBSMZPVXQJCZ-OLZOCXBDSA-N -1 3 346.456 2.080 10 30 EEEEHM C=CCN1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131628268 526450221 /nfs/dbraw/zinc/45/02/21/526450221.db2.gz JGBGJGUODFFHLE-UHFFFAOYSA-N -1 3 332.828 2.408 10 30 EEEEHM O=C(CC(F)(F)F)N1CCC(/N=C\c2ccc(O)c([O-])c2O)CC1 ZINC000726891859 576337416 /nfs/dbraw/zinc/33/74/16/576337416.db2.gz QZURAGFWMZBPAZ-UWVJOHFNSA-N -1 3 346.305 2.166 10 30 EEEEHM C#C[C@H](NCc1cc(Br)c([O-])c(OC)c1)[C@H]1CCCO1 ZINC000775339165 577435305 /nfs/dbraw/zinc/43/53/05/577435305.db2.gz AICPVPISUVJLHF-QWHCGFSZSA-N -1 3 340.217 2.434 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(-n3ccnn3)cc2)c1[O-] ZINC000755376794 577824460 /nfs/dbraw/zinc/82/44/60/577824460.db2.gz QAYJOIUDQCIRGC-SVKBEJCWSA-N -1 3 337.383 2.349 10 30 EEEEHM CN(CCCNC(=S)NN=Cc1ccc([O-])cn1)c1ccccc1 ZINC000755688450 577829251 /nfs/dbraw/zinc/82/92/51/577829251.db2.gz AFAYJUUCDKNRPG-UHFFFAOYSA-N -1 3 343.456 2.112 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ncccc3Cl)C2)c1[O-] ZINC000757525326 577859982 /nfs/dbraw/zinc/85/99/82/577859982.db2.gz FVVMDABBAKYKDN-RTYWOJFRSA-N -1 3 346.818 2.334 10 30 EEEEHM COC(=O)CN(Cc1ccnc(C#N)c1)Cc1cc(Cl)ccc1[O-] ZINC000749523639 577977662 /nfs/dbraw/zinc/97/76/62/577977662.db2.gz WRRIWDLOTBHIHT-UHFFFAOYSA-N -1 3 345.786 2.487 10 30 EEEEHM CCCCC[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC ZINC000914230516 683387796 /nfs/dbraw/zinc/38/77/96/683387796.db2.gz LDBBLONCPYQXAW-CYBMUJFWSA-N -1 3 344.458 2.161 10 30 EEEEHM C=C1CC(C)(c2noc([C@H]([N-]S(=O)(=O)C3CC3)C(C)C)n2)C1 ZINC000924124770 684568264 /nfs/dbraw/zinc/56/82/64/684568264.db2.gz JRLCZBWPOJFRDF-GFCCVEGCSA-N -1 3 325.434 2.456 10 30 EEEEHM C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001691297883 1177851320 /nfs/dbraw/zinc/85/13/20/1177851320.db2.gz MRVLLUQQXPDYLO-KGLIPLIRSA-N -1 3 349.479 2.219 10 30 EEEEHM COCC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1NC(C)=O ZINC001271757426 1186463208 /nfs/dbraw/zinc/46/32/08/1186463208.db2.gz HVYUJRWWRAHVEF-HNNXBMFYSA-N -1 3 339.342 2.172 10 30 EEEEHM CCN(C(=O)C#CC(C)C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001746082546 1187209328 /nfs/dbraw/zinc/20/93/28/1187209328.db2.gz PZZARXNJVRJJHI-HNNXBMFYSA-N -1 3 328.412 2.115 10 30 EEEEHM C=CCCC(=O)N(C)CC(C)(C)CNC(=O)c1cccc2n[n-]nc21 ZINC001486753947 1194216191 /nfs/dbraw/zinc/21/61/91/1194216191.db2.gz VMORHLFXKZCVOI-UHFFFAOYSA-N -1 3 343.431 2.139 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C)C(=O)OCC ZINC000882644686 1201912517 /nfs/dbraw/zinc/91/25/17/1201912517.db2.gz OOYPQRZONNMWIL-OAHLLOKOSA-N -1 3 325.430 2.312 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CCOCC1 ZINC000851826874 1291866315 /nfs/dbraw/zinc/86/63/15/1291866315.db2.gz APWVZMQZUGKQOG-NSHDSACASA-N -1 3 333.862 2.417 10 30 EEEEHM C=CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(=O)OCC ZINC001154004130 1316934286 /nfs/dbraw/zinc/93/42/86/1316934286.db2.gz HLDCDGXEWUIADI-CYBMUJFWSA-N -1 3 348.786 2.419 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001280484757 1324249773 /nfs/dbraw/zinc/24/97/73/1324249773.db2.gz YSWIMAQPANFOSB-STQMWFEESA-N -1 3 343.431 2.137 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N[C@H](CCNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001280925676 1324643391 /nfs/dbraw/zinc/64/33/91/1324643391.db2.gz GIELEOSZUCLCFO-KDOFPFPSSA-N -1 3 348.447 2.045 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N[C@H](CCNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001280925677 1324643808 /nfs/dbraw/zinc/64/38/08/1324643808.db2.gz GIELEOSZUCLCFO-RDTXWAMCSA-N -1 3 348.447 2.045 10 30 EEEEHM C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001285405766 1326986334 /nfs/dbraw/zinc/98/63/34/1326986334.db2.gz ZPSXIGOLRDBXCJ-GDBMZVCRSA-N -1 3 328.412 2.210 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001287892299 1327559299 /nfs/dbraw/zinc/55/92/99/1327559299.db2.gz MYGZNRCGRATMNS-ZBFHGGJFSA-N -1 3 328.412 2.305 10 30 EEEEHM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001334417484 1336251089 /nfs/dbraw/zinc/25/10/89/1336251089.db2.gz CEFFYEGMIRUGDI-LIRRHRJNSA-N -1 3 348.443 2.198 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001338328564 1336841313 /nfs/dbraw/zinc/84/13/13/1336841313.db2.gz ZNAPVOSTTDTVID-CABCVRRESA-N -1 3 328.412 2.066 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC001651229248 1354045497 /nfs/dbraw/zinc/04/54/97/1354045497.db2.gz JBJDKLNNUYFNJO-LBPRGKRZSA-N -1 3 336.388 2.075 10 30 EEEEHM C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001665660262 1355351725 /nfs/dbraw/zinc/35/17/25/1355351725.db2.gz ZEJIHZZCUHYJGT-MRXNPFEDSA-N -1 3 344.459 2.449 10 30 EEEEHM O=C(CCCOc1cccc2ccccc21)N[C@@H]1CCN([O-])C1=O ZINC000816693573 784201259 /nfs/dbraw/zinc/20/12/59/784201259.db2.gz NRTISMAWHRYAEM-OAHLLOKOSA-N -1 3 328.368 2.105 10 30 EEEEHM O=Cc1ccc(OC(F)(F)C(=O)[N-]CC#C[C@H]2CCCCO2)cc1 ZINC001180363067 800398799 /nfs/dbraw/zinc/39/87/99/800398799.db2.gz OHYHXOBATLEWPZ-CQSZACIVSA-N -1 3 337.322 2.159 10 30 EEEEHM C=CCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000790576533 808833284 /nfs/dbraw/zinc/83/32/84/808833284.db2.gz KDRKHCSCZHTUSE-UHFFFAOYSA-N -1 3 328.409 2.208 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@@H](C)C2CCCCC2)n1 ZINC001565991311 1125486276 /nfs/dbraw/zinc/48/62/76/1125486276.db2.gz CIAQUEVHVGSRBA-CQSZACIVSA-N -1 3 344.459 2.128 10 30 EEEEHM CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001448636754 1093698520 /nfs/dbraw/zinc/69/85/20/1093698520.db2.gz WPYYGUNDGZRMTN-UHFFFAOYSA-N -1 3 344.392 2.145 10 30 EEEEHM C#CCCNCc1nc2c(s1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001479740345 1098859644 /nfs/dbraw/zinc/85/96/44/1098859644.db2.gz IRGNBUYXQRTJEP-UHFFFAOYSA-N -1 3 341.436 2.160 10 30 EEEEHM CN(CCNCC#Cc1cccc(Cl)c1)C(=O)c1ncccc1[O-] ZINC001493525421 1108270274 /nfs/dbraw/zinc/27/02/74/1108270274.db2.gz ZCNHZWVCWLLKQD-UHFFFAOYSA-N -1 3 343.814 2.154 10 30 EEEEHM C=CCCCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001509723713 1115884439 /nfs/dbraw/zinc/88/44/39/1115884439.db2.gz NTONZCZJSHONRH-PBHICJAKSA-N -1 3 346.427 2.094 10 30 EEEEHM C=C1CC(C)(C(=O)NC[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC001531943217 1122609099 /nfs/dbraw/zinc/60/90/99/1122609099.db2.gz OSQRAIPDMCLIPE-CQSZACIVSA-N -1 3 328.412 2.469 10 30 EEEEHM O=C(C#CC1CC1)NCC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001532561751 1122798742 /nfs/dbraw/zinc/79/87/42/1122798742.db2.gz RBXSCNTXAQZKIH-MRXNPFEDSA-N -1 3 340.423 2.307 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000068779573 215332613 /nfs/dbraw/zinc/33/26/13/215332613.db2.gz HKHQOSGCZBZPCS-LLVKDONJSA-N -1 3 347.371 2.003 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127800710 292331103 /nfs/dbraw/zinc/33/11/03/292331103.db2.gz LECSPVZCIMVMED-WFASDCNBSA-N -1 3 340.420 2.307 10 30 EEEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ncccc1[O-] ZINC000352509212 162164806 /nfs/dbraw/zinc/16/48/06/162164806.db2.gz OKQUUHLKONFHAL-KRWDZBQOSA-N -1 3 325.368 2.379 10 30 EEEEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1 ZINC000359990901 164211142 /nfs/dbraw/zinc/21/11/42/164211142.db2.gz FKERLGQGUKPAQV-QMMMGPOBSA-N -1 3 340.405 2.038 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cs1 ZINC000157357206 292567562 /nfs/dbraw/zinc/56/75/62/292567562.db2.gz VVBNCNYRBDYAPM-UHFFFAOYSA-N -1 3 325.390 2.195 10 30 EEEEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000528498811 266978559 /nfs/dbraw/zinc/97/85/59/266978559.db2.gz XFEKXEMFIIAODC-IINYFYTJSA-N -1 3 326.805 2.057 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000416560039 268167329 /nfs/dbraw/zinc/16/73/29/268167329.db2.gz RQFXMUADCHKXIJ-UHFFFAOYSA-N -1 3 335.385 2.468 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)cs1 ZINC000162386652 311375007 /nfs/dbraw/zinc/37/50/07/311375007.db2.gz ZFNVGVZPDOQAAX-UHFFFAOYSA-N -1 3 339.417 2.336 10 30 EEEEHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000277719249 463929365 /nfs/dbraw/zinc/92/93/65/463929365.db2.gz JBHBTEFPOCULFC-CABZTGNLSA-N -1 3 348.346 2.280 10 30 EEEEHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C#N)nc3)CCC2)n1 ZINC000267037795 464910968 /nfs/dbraw/zinc/91/09/68/464910968.db2.gz MDXCGYQZFKVTHP-UHFFFAOYSA-N -1 3 334.426 2.076 10 30 EEEEHM O=C(NC[C@@H]1CCCCN1CCO)c1cc(F)c([O-])c(Cl)c1 ZINC000331344487 466041714 /nfs/dbraw/zinc/04/17/14/466041714.db2.gz UVAJITNWLCEDSR-NSHDSACASA-N -1 3 330.787 2.336 10 30 EEEEHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428227805 467214306 /nfs/dbraw/zinc/21/43/06/467214306.db2.gz KKWRJHFSCOZAIU-UHFFFAOYSA-N -1 3 337.788 2.094 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000528558409 467702673 /nfs/dbraw/zinc/70/26/73/467702673.db2.gz XEJDEKQLVQCUEI-PUXPGTEJSA-N -1 3 328.821 2.302 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1noc(-c2ccccc2)n1 ZINC000576166845 468161233 /nfs/dbraw/zinc/16/12/33/468161233.db2.gz LIARPMYEBMSPJW-LBPRGKRZSA-N -1 3 346.412 2.411 10 30 EEEEHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2ccc(CC#N)cc2)on1 ZINC000592029148 468600890 /nfs/dbraw/zinc/60/08/90/468600890.db2.gz DORUYVSAVXQRJQ-UHFFFAOYSA-N -1 3 333.413 2.484 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594849468 468703876 /nfs/dbraw/zinc/70/38/76/468703876.db2.gz BKKCPXLNQMKBEH-UHFFFAOYSA-N -1 3 328.390 2.083 10 30 EEEEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)O1 ZINC000594850813 468704257 /nfs/dbraw/zinc/70/42/57/468704257.db2.gz FUPUYMUHVVWDTN-WDEREUQCSA-N -1 3 328.821 2.448 10 30 EEEEHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)oc1C ZINC000594869626 468712933 /nfs/dbraw/zinc/71/29/33/468712933.db2.gz OJNNIENWNDNVGV-UHFFFAOYSA-N -1 3 340.401 2.127 10 30 EEEEHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593530282 469019159 /nfs/dbraw/zinc/01/91/59/469019159.db2.gz JGALLCCTIUGGIQ-VXGBXAGGSA-N -1 3 328.459 2.493 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000620317691 469810687 /nfs/dbraw/zinc/81/06/87/469810687.db2.gz XSWXXYSVIZZIQG-BETUJISGSA-N -1 3 340.470 2.126 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)CCCC1 ZINC000759050632 577636311 /nfs/dbraw/zinc/63/63/11/577636311.db2.gz RLPGJFXMYIQDRO-CQSZACIVSA-N -1 3 342.848 2.377 10 30 EEEEHM COc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1C#N ZINC000746782821 577933955 /nfs/dbraw/zinc/93/39/55/577933955.db2.gz ZTNDXMVAVMTTIW-UHFFFAOYSA-N -1 3 329.331 2.411 10 30 EEEEHM O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185486 694314944 /nfs/dbraw/zinc/31/49/44/694314944.db2.gz CWRDYOPLDCYVNB-WQVCFCJDSA-N -1 3 342.395 2.327 10 30 EEEEHM O=C([C@H]1CCc2nncn2CC1)N([O-])CCCCc1ccccc1 ZINC000904192346 694324423 /nfs/dbraw/zinc/32/44/23/694324423.db2.gz IWHQXEGVIFGSCZ-INIZCTEOSA-N -1 3 328.416 2.471 10 30 EEEEHM CCCCCCN([O-])C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000904205284 694328296 /nfs/dbraw/zinc/32/82/96/694328296.db2.gz FWJACUBQDRPAOF-ZDUSSCGKSA-N -1 3 337.342 2.358 10 30 EEEEHM C=CCCCCCN(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898814050 693471703 /nfs/dbraw/zinc/47/17/03/693471703.db2.gz BIBWUJWMEKCMMR-CQSZACIVSA-N -1 3 333.436 2.149 10 30 EEEEHM CC#CCCCC(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001687301114 1177277561 /nfs/dbraw/zinc/27/75/61/1177277561.db2.gz SOLJKINDRZRVOI-UHFFFAOYSA-N -1 3 328.412 2.307 10 30 EEEEHM C=CCCOCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001746215069 1187635857 /nfs/dbraw/zinc/63/58/57/1187635857.db2.gz DYJQWGAWLWTLAO-UHFFFAOYSA-N -1 3 346.427 2.144 10 30 EEEEHM C=CCCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001746922168 1190870212 /nfs/dbraw/zinc/87/02/12/1190870212.db2.gz DKDZUYIJVLVFPQ-HOCLYGCPSA-N -1 3 328.412 2.421 10 30 EEEEHM C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)OCC ZINC000870027564 1200416327 /nfs/dbraw/zinc/41/63/27/1200416327.db2.gz VWVCDCLQFGTZKX-GFCCVEGCSA-N -1 3 327.764 2.205 10 30 EEEEHM C=CCCO[C@H](C)C(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001288290587 1327703933 /nfs/dbraw/zinc/70/39/33/1327703933.db2.gz SWDPMAULSUTYNO-WLYUNCDWSA-N -1 3 346.427 2.093 10 30 EEEEHM CC#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001295684927 1329831863 /nfs/dbraw/zinc/83/18/63/1329831863.db2.gz BFRRYZKAYYRMLK-OAHLLOKOSA-N -1 3 328.412 2.164 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001338897312 1336928598 /nfs/dbraw/zinc/92/85/98/1336928598.db2.gz XSDRQAIAFCAEKO-ACJLOTCBSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001339606916 1337036761 /nfs/dbraw/zinc/03/67/61/1337036761.db2.gz OWXXOEMWTJAEAE-HNNXBMFYSA-N -1 3 348.357 2.252 10 30 EEEEHM O=C(c1cccs1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001611649190 1352303239 /nfs/dbraw/zinc/30/32/39/1352303239.db2.gz ZUASNBDRIYMINC-UHFFFAOYSA-N -1 3 330.365 2.266 10 30 EEEEHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC001559034606 1342496261 /nfs/dbraw/zinc/49/62/61/1342496261.db2.gz IBHBZBIMTBBHGQ-CXAGYDPISA-N -1 3 339.436 2.285 10 30 EEEEHM N#C[C@]1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CC2CCC1CC2 ZINC000923257091 789241263 /nfs/dbraw/zinc/24/12/63/789241263.db2.gz QZWXKMWSECSINJ-VCMHEYGDSA-N -1 3 346.408 2.268 10 30 EEEEHM Cc1ncc(CO)c(/C=N\C2CCN(c3ccccn3)CC2)c1[O-] ZINC000915978996 797464967 /nfs/dbraw/zinc/46/49/67/797464967.db2.gz LMUVVVUSWNEYBB-NHDPSOOVSA-N -1 3 326.400 2.071 10 30 EEEEHM COc1cc(C#N)ccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456393754 1109165502 /nfs/dbraw/zinc/16/55/02/1109165502.db2.gz JUZDPADZVWBYEX-SSDOTTSWSA-N -1 3 339.277 2.195 10 30 EEEEHM C=C(C)COc1cccc(NC(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001465533720 1110419277 /nfs/dbraw/zinc/41/92/77/1110419277.db2.gz VLNYZVRHJFFPKO-HNNXBMFYSA-N -1 3 330.388 2.275 10 30 EEEEHM C=CCOC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)OC ZINC001467514766 1110457652 /nfs/dbraw/zinc/45/76/52/1110457652.db2.gz ALQIVRONGLWWQV-GFCCVEGCSA-N -1 3 335.381 2.081 10 30 EEEEHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001511147450 1117965781 /nfs/dbraw/zinc/96/57/81/1117965781.db2.gz VMHJNVBEBKNYOK-GDBMZVCRSA-N -1 3 328.412 2.305 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001533103167 1123080765 /nfs/dbraw/zinc/08/07/65/1123080765.db2.gz LQUGNUKKFFCINK-GDBMZVCRSA-N -1 3 342.439 2.456 10 30 EEEEHM N#Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000193597635 160184014 /nfs/dbraw/zinc/18/40/14/160184014.db2.gz WPGCQJXLIPOCIJ-UHFFFAOYSA-N -1 3 332.157 2.351 10 30 EEEEHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccnc(C#N)c2)[n-]1 ZINC000193751324 160186021 /nfs/dbraw/zinc/18/60/21/160186021.db2.gz KYNJTXDOZSKYDF-UHFFFAOYSA-N -1 3 341.371 2.448 10 30 EEEEHM CCCCc1nc(NC(=O)c2ccnc(C#N)c2)c(C(=O)OCC)[n-]1 ZINC000193751324 160186022 /nfs/dbraw/zinc/18/60/22/160186022.db2.gz KYNJTXDOZSKYDF-UHFFFAOYSA-N -1 3 341.371 2.448 10 30 EEEEHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000339005991 160820110 /nfs/dbraw/zinc/82/01/10/160820110.db2.gz LOPQLNIUJOJASM-UHFFFAOYSA-N -1 3 337.376 2.176 10 30 EEEEHM CCCN(CCN1CCCC1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000342297496 161054185 /nfs/dbraw/zinc/05/41/85/161054185.db2.gz XIQUDGSEMBXRTB-UHFFFAOYSA-N -1 3 348.472 2.329 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@](C)(O)CCC(C)C ZINC000075129069 462682396 /nfs/dbraw/zinc/68/23/96/462682396.db2.gz JWSRZZGRRUCKBG-IBGZPJMESA-N -1 3 347.459 2.099 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000161722886 463453179 /nfs/dbraw/zinc/45/31/79/463453179.db2.gz CQTRLPVJCCXITF-IBGZPJMESA-N -1 3 348.362 2.174 10 30 EEEEHM C#CCCCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000126673502 463656068 /nfs/dbraw/zinc/65/60/68/463656068.db2.gz BWXQMRFQFFZXBY-UHFFFAOYSA-N -1 3 329.805 2.208 10 30 EEEEHM Cc1cc(Cl)cc(CN(CCC#N)CCN2CCOCC2)c1[O-] ZINC000183373165 464856536 /nfs/dbraw/zinc/85/65/36/464856536.db2.gz FDSVJGFLHYMUAZ-UHFFFAOYSA-N -1 3 337.851 2.402 10 30 EEEEHM CCOC(=O)c1csc(CC/N=C/c2ccc(O)c([O-])c2O)n1 ZINC000276332255 464892498 /nfs/dbraw/zinc/89/24/98/464892498.db2.gz GYGPDZMKMREYLL-FRKPEAEDSA-N -1 3 336.369 2.098 10 30 EEEEHM COc1cccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1[O-] ZINC000378299771 467256115 /nfs/dbraw/zinc/25/61/15/467256115.db2.gz RORKGSJQIQVXHV-QGZVFWFLSA-N -1 3 338.363 2.486 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)CCC1 ZINC000589227157 468134484 /nfs/dbraw/zinc/13/44/84/468134484.db2.gz WAFPXQGHYOQWNY-GFCCVEGCSA-N -1 3 326.805 2.387 10 30 EEEEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000569699973 468530220 /nfs/dbraw/zinc/53/02/20/468530220.db2.gz FGBGYCWIHNTIPG-GXFFZTMASA-N -1 3 330.837 2.287 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)CCCC1 ZINC000594473103 468598608 /nfs/dbraw/zinc/59/86/08/468598608.db2.gz KTEFHSWVUZKBGG-GJZGRUSLSA-N -1 3 326.462 2.337 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC000592072647 468612244 /nfs/dbraw/zinc/61/22/44/468612244.db2.gz DHDVTNNSYZFKPM-UHFFFAOYSA-N -1 3 331.372 2.450 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594850453 468704092 /nfs/dbraw/zinc/70/40/92/468704092.db2.gz OHGZNVFCLRZWBR-UHFFFAOYSA-N -1 3 328.390 2.083 10 30 EEEEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000595392992 468836173 /nfs/dbraw/zinc/83/61/73/468836173.db2.gz RXKQOMIVHJIDLL-NSHDSACASA-N -1 3 328.821 2.305 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OC ZINC000601502058 468897464 /nfs/dbraw/zinc/89/74/64/468897464.db2.gz SBCYLNDBHBMSSV-SNVBAGLBSA-N -1 3 333.356 2.059 10 30 EEEEHM N#CCC1(CS(=O)(=O)[N-]Cc2nc(-c3ccccn3)cs2)CC1 ZINC000601525832 468907675 /nfs/dbraw/zinc/90/76/75/468907675.db2.gz FYMCLQIHXHKPCL-UHFFFAOYSA-N -1 3 348.453 2.318 10 30 EEEEHM CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593535359 469022798 /nfs/dbraw/zinc/02/27/98/469022798.db2.gz XUWRZZZAKCVTGS-AWEZNQCLSA-N -1 3 349.481 2.071 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000628315143 470090475 /nfs/dbraw/zinc/09/04/75/470090475.db2.gz AKOFSLCLZAGMNH-SFHVURJKSA-N -1 3 329.400 2.073 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000657150638 471982269 /nfs/dbraw/zinc/98/22/69/471982269.db2.gz VXZNMFGZSIGNHI-UHFFFAOYSA-N -1 3 339.335 2.298 10 30 EEEEHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(OC)c(C#N)c2)s1 ZINC000763599880 577723198 /nfs/dbraw/zinc/72/31/98/577723198.db2.gz AUFPNMIWRKCSOC-UHFFFAOYSA-N -1 3 337.426 2.064 10 30 EEEEHM C=C(C)CN(CC)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897592672 691656649 /nfs/dbraw/zinc/65/66/49/691656649.db2.gz ZOLLGAFAUALGPH-AWEZNQCLSA-N -1 3 347.463 2.492 10 30 EEEEHM COC(=O)[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)Cc1ccccc1 ZINC000905003480 694499150 /nfs/dbraw/zinc/49/91/50/694499150.db2.gz WXRXOIYVASEQAZ-PZUDMAOCSA-N -1 3 342.395 2.039 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001483678221 1190738091 /nfs/dbraw/zinc/73/80/91/1190738091.db2.gz PXPNFPZYAWQHBY-DNVCBOLYSA-N -1 3 344.459 2.352 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000872670798 1198324982 /nfs/dbraw/zinc/32/49/82/1198324982.db2.gz MVHMXXBCPOFEIW-RXSFTSLZSA-N -1 3 340.470 2.170 10 30 EEEEHM COC(=O)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C#N)cc1 ZINC000811186939 1199916393 /nfs/dbraw/zinc/91/63/93/1199916393.db2.gz DRNMDTUTDVNZMM-INIZCTEOSA-N -1 3 336.303 2.207 10 30 EEEEHM O=C(CCc1ccc(F)c2ccccc12)N[C@@H]1CCCN([O-])C1=O ZINC000868562492 1201835425 /nfs/dbraw/zinc/83/54/25/1201835425.db2.gz GFWUGTCPGJZSGJ-MRXNPFEDSA-N -1 3 330.359 2.408 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)OCC ZINC000882645412 1201913183 /nfs/dbraw/zinc/91/31/83/1201913183.db2.gz SLEJZMWYLRRVCV-CYBMUJFWSA-N -1 3 333.356 2.141 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)c2c(F)cc(C#N)cc2F)[n-]n1 ZINC001413674901 1286527272 /nfs/dbraw/zinc/52/72/72/1286527272.db2.gz PQAFBWFBEHNDKF-UHFFFAOYSA-N -1 3 334.282 2.377 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)c2c(F)cc(C#N)cc2F)n[n-]1 ZINC001413674901 1286527279 /nfs/dbraw/zinc/52/72/79/1286527279.db2.gz PQAFBWFBEHNDKF-UHFFFAOYSA-N -1 3 334.282 2.377 10 30 EEEEHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)c(C#N)cc1[N+](=O)[O-] ZINC001162177061 1320774890 /nfs/dbraw/zinc/77/48/90/1320774890.db2.gz PMSBDUAOMFBJEV-UHFFFAOYSA-N -1 3 340.339 2.322 10 30 EEEEHM C=C(C)[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1ccccc1[O-])OCC ZINC001280981449 1324693797 /nfs/dbraw/zinc/69/37/97/1324693797.db2.gz SOHCOUXNKBVLQV-YOEHRIQHSA-N -1 3 348.443 2.340 10 30 EEEEHM C=C(C)[C@H](CC(=O)N[C@H](C)CN(C)C(=O)c1ccccc1[O-])OCC ZINC001280981446 1324693961 /nfs/dbraw/zinc/69/39/61/1324693961.db2.gz SOHCOUXNKBVLQV-PBHICJAKSA-N -1 3 348.443 2.340 10 30 EEEEHM C=CC1(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H]2C)CCCCC1 ZINC001281144124 1324790912 /nfs/dbraw/zinc/79/09/12/1324790912.db2.gz DIJMXIWLQRPFTC-KGLIPLIRSA-N -1 3 345.447 2.051 10 30 EEEEHM C#CCCCCC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001284657034 1326649057 /nfs/dbraw/zinc/64/90/57/1326649057.db2.gz QCHUMBJOAIONIK-HNNXBMFYSA-N -1 3 328.412 2.307 10 30 EEEEHM C=CCCC1(C(=O)N2CC(N(C)C(=O)c3ccccc3[O-])C2)CC1 ZINC001285996558 1327240939 /nfs/dbraw/zinc/24/09/39/1327240939.db2.gz PTAQIMHWGUHKLC-UHFFFAOYSA-N -1 3 328.412 2.421 10 30 EEEEHM C=CCCCC(=O)N[C@@H](CNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001297978551 1330024818 /nfs/dbraw/zinc/02/48/18/1330024818.db2.gz XATZBKLYIPWVKG-HNNXBMFYSA-N -1 3 343.431 2.185 10 30 EEEEHM CC[C@@H](CC1CCCC1)C(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001316716026 1331822691 /nfs/dbraw/zinc/82/26/91/1331822691.db2.gz PICIFDVAIXLYRU-AWEZNQCLSA-N -1 3 345.447 2.018 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001340571559 1337208412 /nfs/dbraw/zinc/20/84/12/1337208412.db2.gz NLORAURCBCUDHS-PWSUYJOCSA-N -1 3 332.383 2.119 10 30 EEEEHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001342203935 1337311218 /nfs/dbraw/zinc/31/12/18/1337311218.db2.gz PEGNAPUJPXJODJ-UONOGXRCSA-N -1 3 344.467 2.167 10 30 EEEEHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001342203935 1337311220 /nfs/dbraw/zinc/31/12/20/1337311220.db2.gz PEGNAPUJPXJODJ-UONOGXRCSA-N -1 3 344.467 2.167 10 30 EEEEHM C#CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC(C)C)CC1 ZINC001343041730 1337327328 /nfs/dbraw/zinc/32/73/28/1337327328.db2.gz HNVULSDPTHHVDJ-UHFFFAOYSA-N -1 3 333.827 2.222 10 30 EEEEHM C#CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC(C)C)CC1 ZINC001343041730 1337327329 /nfs/dbraw/zinc/32/73/29/1337327329.db2.gz HNVULSDPTHHVDJ-UHFFFAOYSA-N -1 3 333.827 2.222 10 30 EEEEHM C=CCOCCCC(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001356989702 1338931286 /nfs/dbraw/zinc/93/12/86/1338931286.db2.gz REQGFHNVGWSRNY-OAHLLOKOSA-N -1 3 346.427 2.096 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC001651229247 1354045355 /nfs/dbraw/zinc/04/53/55/1354045355.db2.gz JBJDKLNNUYFNJO-GFCCVEGCSA-N -1 3 336.388 2.075 10 30 EEEEHM C[C@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001651457513 1354054077 /nfs/dbraw/zinc/05/40/77/1354054077.db2.gz OBTMAMKANALQPH-YFKPBYRVSA-N -1 3 327.226 2.171 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nnc(-c3ccccc3OC)s2)nn1 ZINC001129225123 785793174 /nfs/dbraw/zinc/79/31/74/785793174.db2.gz PTWIOAZQKDFPFV-UHFFFAOYSA-N -1 3 342.384 2.244 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000911854480 787780477 /nfs/dbraw/zinc/78/04/77/787780477.db2.gz KRTFDTMXPRTNCO-PSKZRQQASA-N -1 3 325.368 2.179 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-]CC(=O)c1ccc(Br)cn1 ZINC000923256854 789240393 /nfs/dbraw/zinc/24/03/93/789240393.db2.gz MOSYSTKSDQDDAP-UHFFFAOYSA-N -1 3 333.132 2.354 10 30 EEEEHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000846551428 790230233 /nfs/dbraw/zinc/23/02/33/790230233.db2.gz USCVWRVUQYKWKR-ZFWWWQNUSA-N -1 3 334.391 2.229 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)C2(CC=C)CCCCC2)n1 ZINC001479614363 1098638613 /nfs/dbraw/zinc/63/86/13/1098638613.db2.gz TXCNAGPSHUKILO-UHFFFAOYSA-N -1 3 342.443 2.048 10 30 EEEEHM CN(C)CC#CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001479620829 1098645491 /nfs/dbraw/zinc/64/54/91/1098645491.db2.gz OJWRZCZJUNJBIO-UHFFFAOYSA-N -1 3 330.215 2.063 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC001472620672 1110560762 /nfs/dbraw/zinc/56/07/62/1110560762.db2.gz LODCWCGWZUIOJV-ZDUSSCGKSA-N -1 3 333.388 2.016 10 30 EEEEHM CCS[C@H]1CCCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 ZINC001473158076 1110572579 /nfs/dbraw/zinc/57/25/79/1110572579.db2.gz FDSZRIJNVKAECC-AWEZNQCLSA-N -1 3 331.445 2.414 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cnc(OC)s1)c1ccc(Cl)cc1 ZINC001475365003 1110611428 /nfs/dbraw/zinc/61/14/28/1110611428.db2.gz ADQXAHNOFAJQSR-NSHDSACASA-N -1 3 342.829 2.458 10 30 EEEEHM C=CCCC(=O)N(C)CC[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001509221486 1115760862 /nfs/dbraw/zinc/76/08/62/1115760862.db2.gz WVNQQSNBPSBCRZ-CQSZACIVSA-N -1 3 348.447 2.060 10 30 EEEEHM CCCC[C@H](CNC(=O)C#CC1CC1)NC(=O)c1ccccc1[O-] ZINC001509294659 1115788106 /nfs/dbraw/zinc/78/81/06/1115788106.db2.gz LLYACJHHFROSLV-OAHLLOKOSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C1CC(C)(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001524339399 1120065854 /nfs/dbraw/zinc/06/58/54/1120065854.db2.gz NCUNTVAHNOTZOO-OAHLLOKOSA-N -1 3 328.412 2.373 10 30 EEEEHM N#Cc1c([N-]C(=O)c2csc([N+](=O)[O-])c2)ncc2c1COCC2 ZINC001529423357 1121436349 /nfs/dbraw/zinc/43/63/49/1121436349.db2.gz RHTMETGPADMROC-UHFFFAOYSA-N -1 3 330.325 2.248 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001532473658 1122760039 /nfs/dbraw/zinc/76/00/39/1122760039.db2.gz AURVEHGCGCLCPG-CYBMUJFWSA-N -1 3 348.447 2.045 10 30 EEEEHM Cc1cccc(F)c1S(=O)(=O)[N-]CCOc1ccc(C#N)cc1 ZINC000184934533 160021690 /nfs/dbraw/zinc/02/16/90/160021690.db2.gz GREOVMYSUNNKRN-UHFFFAOYSA-N -1 3 334.372 2.363 10 30 EEEEHM N#CCC1(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)CC1 ZINC000590755242 468328890 /nfs/dbraw/zinc/32/88/90/468328890.db2.gz OMQKKFXPTVCVOF-UHFFFAOYSA-N -1 3 342.424 2.257 10 30 EEEEHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000185236575 463784666 /nfs/dbraw/zinc/78/46/66/463784666.db2.gz QLVSUFLIYQREOE-VIFPVBQESA-N -1 3 331.344 2.301 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000313795947 466544462 /nfs/dbraw/zinc/54/44/62/466544462.db2.gz LAQQUKRBUWAAPC-VXGBXAGGSA-N -1 3 328.821 2.041 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000425179543 467087611 /nfs/dbraw/zinc/08/76/11/467087611.db2.gz PSTUGMTYHDEOFI-CABZTGNLSA-N -1 3 346.792 2.118 10 30 EEEEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(CC#N)CC2)c(Cl)c1 ZINC000429920709 467381590 /nfs/dbraw/zinc/38/15/90/467381590.db2.gz FOCONQUHXWNIGG-UHFFFAOYSA-N -1 3 342.804 2.099 10 30 EEEEHM Cc1cc(C(C#N)=C([O-])c2cccc(C(=O)NC3CC3)c2)nc(C)n1 ZINC000526160355 467650260 /nfs/dbraw/zinc/65/02/60/467650260.db2.gz HWZHZQFWTPMRKK-INIZCTEOSA-N -1 3 334.379 2.476 10 30 EEEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)CC#N ZINC000528318434 467679427 /nfs/dbraw/zinc/67/94/27/467679427.db2.gz SISJXMXKPOTXFO-MRVPVSSYSA-N -1 3 338.307 2.174 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)CCC1 ZINC000589227158 468134289 /nfs/dbraw/zinc/13/42/89/468134289.db2.gz WAFPXQGHYOQWNY-LBPRGKRZSA-N -1 3 326.805 2.387 10 30 EEEEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000569699976 468530728 /nfs/dbraw/zinc/53/07/28/468530728.db2.gz FGBGYCWIHNTIPG-ZWNOBZJWSA-N -1 3 330.837 2.287 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@]1(C#N)CC1(C)C)c1ccc(F)cc1 ZINC000600668344 468615130 /nfs/dbraw/zinc/61/51/30/468615130.db2.gz LFRJAFVNBLYBBQ-HIFRSBDPSA-N -1 3 326.393 2.125 10 30 EEEEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3cccc(C#N)c3)cn21 ZINC000571864017 468850178 /nfs/dbraw/zinc/85/01/78/468850178.db2.gz DHVASBWGVYDWQA-GFCCVEGCSA-N -1 3 330.413 2.131 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601521794 468905533 /nfs/dbraw/zinc/90/55/33/468905533.db2.gz XYLOACBJVHCTAK-FZMZJTMJSA-N -1 3 326.443 2.246 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(=O)OC ZINC000601782041 469022132 /nfs/dbraw/zinc/02/21/32/469022132.db2.gz NLGAMXVTEHSJBK-CQSZACIVSA-N -1 3 346.358 2.213 10 30 EEEEHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593590137 469049235 /nfs/dbraw/zinc/04/92/35/469049235.db2.gz ZDUDLAYYNCLTDY-JTQLQIEISA-N -1 3 330.431 2.018 10 30 EEEEHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C#N)cn2C)c1[O-] ZINC000588100029 469116977 /nfs/dbraw/zinc/11/69/77/469116977.db2.gz KOMIYWIKJPJVGF-UHFFFAOYSA-N -1 3 333.731 2.295 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)CCC1 ZINC000616175823 469390314 /nfs/dbraw/zinc/39/03/14/469390314.db2.gz IGGNMWLYXOEIGQ-GFCCVEGCSA-N -1 3 326.805 2.387 10 30 EEEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617037841 469581493 /nfs/dbraw/zinc/58/14/93/469581493.db2.gz RJMJMJMICSZBPZ-QWHCGFSZSA-N -1 3 342.486 2.278 10 30 EEEEHM C=CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000111632300 526972355 /nfs/dbraw/zinc/97/23/55/526972355.db2.gz RHLIRYHAHPKHSZ-INIZCTEOSA-N -1 3 328.412 2.421 10 30 EEEEHM O=C(CSc1nc(N=NC2CCCC2)n[n-]1)Nc1nccs1 ZINC000020534688 527050111 /nfs/dbraw/zinc/05/01/11/527050111.db2.gz BYRHOKZKOACRIX-UHFFFAOYSA-N -1 3 337.434 2.334 10 30 EEEEHM O=C(CSc1nnc(N=NC2CCCC2)[n-]1)Nc1nccs1 ZINC000020534688 527050116 /nfs/dbraw/zinc/05/01/16/527050116.db2.gz BYRHOKZKOACRIX-UHFFFAOYSA-N -1 3 337.434 2.334 10 30 EEEEHM O=C(CSc1n[n-]c(N=NC2CCCC2)n1)Nc1nccs1 ZINC000020534688 527050119 /nfs/dbraw/zinc/05/01/19/527050119.db2.gz BYRHOKZKOACRIX-UHFFFAOYSA-N -1 3 337.434 2.334 10 30 EEEEHM Cc1ncc(CO)c(C=NNc2ccc(Br)cn2)c1[O-] ZINC000727265904 576415937 /nfs/dbraw/zinc/41/59/37/576415937.db2.gz BPGKZJXTWSTILR-UHFFFAOYSA-N -1 3 337.177 2.191 10 30 EEEEHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000770406152 577595578 /nfs/dbraw/zinc/59/55/78/577595578.db2.gz AIUNFQYFUPPJSS-KRWDZBQOSA-N -1 3 348.399 2.159 10 30 EEEEHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cccc(F)c3C#N)nc2c1 ZINC000751474701 577753673 /nfs/dbraw/zinc/75/36/73/577753673.db2.gz NHHHSKDKFPQDLH-UHFFFAOYSA-N -1 3 344.371 2.361 10 30 EEEEHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cccc(F)c3C#N)[nH]c2c1 ZINC000751474701 577753674 /nfs/dbraw/zinc/75/36/74/577753674.db2.gz NHHHSKDKFPQDLH-UHFFFAOYSA-N -1 3 344.371 2.361 10 30 EEEEHM C=CCCCCCCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894833219 683163304 /nfs/dbraw/zinc/16/33/04/683163304.db2.gz QKQCJRHUYJKMOY-CQSZACIVSA-N -1 3 333.436 2.197 10 30 EEEEHM C=C(C)CN(CC)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897592674 691656522 /nfs/dbraw/zinc/65/65/22/691656522.db2.gz ZOLLGAFAUALGPH-CQSZACIVSA-N -1 3 347.463 2.492 10 30 EEEEHM N#C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CCN1C1CC1 ZINC000786958477 691823505 /nfs/dbraw/zinc/82/35/05/691823505.db2.gz HYGFQNZDGTUJPT-HNNXBMFYSA-N -1 3 331.391 2.053 10 30 EEEEHM C=CC(C)(C)C(=O)N(C)CCOCCN(C)C(=O)c1ccccc1[O-] ZINC001719586297 1176552006 /nfs/dbraw/zinc/55/20/06/1176552006.db2.gz RTBYAJNMMYUMJJ-UHFFFAOYSA-N -1 3 348.443 2.151 10 30 EEEEHM C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001487089079 1197195511 /nfs/dbraw/zinc/19/55/11/1197195511.db2.gz LDUBJVXPXCBPBJ-CYBMUJFWSA-N -1 3 329.400 2.101 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)OCC(F)(F)F ZINC000863849224 1197900101 /nfs/dbraw/zinc/90/01/01/1197900101.db2.gz WYPHXHBPBDKASY-UHFFFAOYSA-N -1 3 331.294 2.161 10 30 EEEEHM C=C(Cl)C[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)OCC ZINC000870027565 1200416553 /nfs/dbraw/zinc/41/65/53/1200416553.db2.gz VWVCDCLQFGTZKX-LBPRGKRZSA-N -1 3 327.764 2.205 10 30 EEEEHM Cc1[n-][nH]c(=O)c1CCNc1ccc(C#N)c(Br)c1F ZINC001412867833 1215949660 /nfs/dbraw/zinc/94/96/60/1215949660.db2.gz CRPBKSQCPCRLPY-VIFPVBQESA-N -1 3 339.168 2.384 10 30 EEEEHM C=C[C@](C)(O)CC(=O)Nc1ccc(I)cc1[O-] ZINC001154103648 1316957639 /nfs/dbraw/zinc/95/76/39/1316957639.db2.gz CUXGCWWMDQZPNM-LBPRGKRZSA-N -1 3 347.152 2.262 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001281442209 1325098851 /nfs/dbraw/zinc/09/88/51/1325098851.db2.gz GQNYRJBFXROFTD-QWHCGFSZSA-N -1 3 343.431 2.327 10 30 EEEEHM C=C1CCC(C(=O)NCCN(C)Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001492399765 1331217053 /nfs/dbraw/zinc/21/70/53/1331217053.db2.gz OOHNTWVRRGFOEE-UHFFFAOYSA-N -1 3 344.459 2.354 10 30 EEEEHM C=C(Br)CNC/C=C/CNC(=O)c1ccccc1[O-] ZINC001320969799 1332989362 /nfs/dbraw/zinc/98/93/62/1332989362.db2.gz KAAKVVBZNMQPNC-SNAWJCMRSA-N -1 3 325.206 2.176 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](C(C)C)C1 ZINC001343580535 1337338730 /nfs/dbraw/zinc/33/87/30/1337338730.db2.gz GTRMCRVZWJLRBV-ZDUSSCGKSA-N -1 3 328.420 2.499 10 30 EEEEHM C[C@H](C#N)C(=O)NCCCCCCN(C)C(=O)c1ccccc1[O-] ZINC001344686241 1337410430 /nfs/dbraw/zinc/41/04/30/1337410430.db2.gz GVNICRZKYUDLNL-CQSZACIVSA-N -1 3 331.416 2.300 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(F)(F)CC1 ZINC001356153302 1338801522 /nfs/dbraw/zinc/80/15/22/1338801522.db2.gz YCQFZWKAMGFMPX-UHFFFAOYSA-N -1 3 329.742 2.138 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(F)(F)CC1 ZINC001356153302 1338801524 /nfs/dbraw/zinc/80/15/24/1338801524.db2.gz YCQFZWKAMGFMPX-UHFFFAOYSA-N -1 3 329.742 2.138 10 30 EEEEHM Cc1ccc2ncc(C(=O)N([O-])Cc3ccc(F)cc3)c(=O)n2c1 ZINC001651237866 1354046224 /nfs/dbraw/zinc/04/62/24/1354046224.db2.gz CWDRDVCJIWUDGV-UHFFFAOYSA-N -1 3 327.315 2.174 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000921382745 773317972 /nfs/dbraw/zinc/31/79/72/773317972.db2.gz IURDAQQNPAYXJQ-RYUDHWBXSA-N -1 3 339.404 2.239 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1cccc(C)c1)C(=O)OC ZINC000921384791 773321948 /nfs/dbraw/zinc/32/19/48/773321948.db2.gz XJDBMJKHZKTWHH-HNNXBMFYSA-N -1 3 325.430 2.312 10 30 EEEEHM N#Cc1c(F)cc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1F ZINC000816504888 784075326 /nfs/dbraw/zinc/07/53/26/784075326.db2.gz GOEOKIPXHHUXGM-UHFFFAOYSA-N -1 3 332.262 2.201 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000816690324 784198419 /nfs/dbraw/zinc/19/84/19/784198419.db2.gz OPQCVNLESZCUCM-INIZCTEOSA-N -1 3 348.362 2.017 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(C)(C)C ZINC000805146389 811158708 /nfs/dbraw/zinc/15/87/08/811158708.db2.gz DJTMHITWCYMENF-JTQLQIEISA-N -1 3 331.235 2.170 10 30 EEEEHM C=CCCC(=O)NC[C@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001493087581 1107471486 /nfs/dbraw/zinc/47/14/86/1107471486.db2.gz XMWYKEVRJARBQE-OAHLLOKOSA-N -1 3 330.432 2.106 10 30 EEEEHM C=CCN(CC=C)[C@H](CNS(=O)(=O)c1ccccc1[O-])C(C)C ZINC001475200810 1110608355 /nfs/dbraw/zinc/60/83/55/1110608355.db2.gz NFHDEDCGAZVENW-OAHLLOKOSA-N -1 3 338.473 2.369 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(OC)s1)c1ccc(Cl)cc1 ZINC001475365002 1110611319 /nfs/dbraw/zinc/61/13/19/1110611319.db2.gz ADQXAHNOFAJQSR-LLVKDONJSA-N -1 3 342.829 2.458 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N(CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001528867761 1121210055 /nfs/dbraw/zinc/21/00/55/1121210055.db2.gz HERFQNAHSQQRGE-ZDUSSCGKSA-N -1 3 343.431 2.139 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000451815659 243276528 /nfs/dbraw/zinc/27/65/28/243276528.db2.gz MCYVYHMEARREIV-UHFFFAOYSA-N -1 3 346.811 2.256 10 30 EEEEHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)CCO1 ZINC000451820131 243280157 /nfs/dbraw/zinc/28/01/57/243280157.db2.gz XQEYFCHTXBCDEN-YPMHNXCESA-N -1 3 328.459 2.349 10 30 EEEEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)CO2 ZINC000152547363 323330292 /nfs/dbraw/zinc/33/02/92/323330292.db2.gz JHSGCCQCVBMSSA-OAHLLOKOSA-N -1 3 332.356 2.418 10 30 EEEEHM CCC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000579968303 323967752 /nfs/dbraw/zinc/96/77/52/323967752.db2.gz QNVFUBMDPIASRQ-ZBEGNZNMSA-N -1 3 333.432 2.122 10 30 EEEEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C#N)cc1F ZINC000078986325 463175045 /nfs/dbraw/zinc/17/50/45/463175045.db2.gz NEWDJSKMXLPWHO-UHFFFAOYSA-N -1 3 342.374 2.317 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)c(F)c1 ZINC000069631334 463292224 /nfs/dbraw/zinc/29/22/24/463292224.db2.gz FXJMTFFRCYFJCG-UHFFFAOYSA-N -1 3 326.299 2.454 10 30 EEEEHM CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000071915432 463471724 /nfs/dbraw/zinc/47/17/24/463471724.db2.gz FYEOLGUVCCCWBF-HZPDHXFCSA-N -1 3 345.443 2.116 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000294624479 464557781 /nfs/dbraw/zinc/55/77/81/464557781.db2.gz QGFNVRPHKUPOSC-SECBINFHSA-N -1 3 330.281 2.398 10 30 EEEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000295679165 464926329 /nfs/dbraw/zinc/92/63/29/464926329.db2.gz HWUDFFUVJGMYOB-ONGXEEELSA-N -1 3 344.234 2.205 10 30 EEEEHM Cc1ccsc1C=N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252629362 464985702 /nfs/dbraw/zinc/98/57/02/464985702.db2.gz UEKYSUAZFARKBL-UHFFFAOYSA-N -1 3 325.371 2.277 10 30 EEEEHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000286756577 465022268 /nfs/dbraw/zinc/02/22/68/465022268.db2.gz VGCMQLMUFROUCP-SNVBAGLBSA-N -1 3 336.369 2.208 10 30 EEEEHM COC(=O)c1cc(C(=O)Nc2ncccc2OCCCC#N)c[n-]1 ZINC000339755366 465491349 /nfs/dbraw/zinc/49/13/49/465491349.db2.gz GTKXJRHGWORMHB-UHFFFAOYSA-N -1 3 328.328 2.131 10 30 EEEEHM Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(CN(C)C)c1 ZINC000427779007 467177587 /nfs/dbraw/zinc/17/75/87/467177587.db2.gz KLWUBNCJNPHYMV-UHFFFAOYSA-N -1 3 344.440 2.433 10 30 EEEEHM C[C@H](NC(=O)c1cscc1C#N)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000597651601 468627814 /nfs/dbraw/zinc/62/78/14/468627814.db2.gz CUMSDXBLTMLSQZ-UWVGGRQHSA-N -1 3 344.396 2.113 10 30 EEEEHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(C#N)CCCCC2)cc1 ZINC000598302533 468826225 /nfs/dbraw/zinc/82/62/25/468826225.db2.gz IWFDIEPHQURNNZ-UHFFFAOYSA-N -1 3 335.429 2.262 10 30 EEEEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 ZINC000601498646 468895003 /nfs/dbraw/zinc/89/50/03/468895003.db2.gz BNUHRFRTSYJMGM-KBVBSXBZSA-N -1 3 348.346 2.421 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)OC ZINC000601502643 468897734 /nfs/dbraw/zinc/89/77/34/468897734.db2.gz RYUSFXJBFSBQBW-NSHDSACASA-N -1 3 347.820 2.135 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000601502859 468897925 /nfs/dbraw/zinc/89/79/25/468897925.db2.gz VCURNVLVZOTPQI-RYUDHWBXSA-N -1 3 339.404 2.239 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)OCC12CCC2 ZINC000593316938 468937480 /nfs/dbraw/zinc/93/74/80/468937480.db2.gz MSOZIHCNUGXKKG-LBPRGKRZSA-N -1 3 343.427 2.378 10 30 EEEEHM N#CC1(CC(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCOCC1 ZINC000598681002 468958019 /nfs/dbraw/zinc/95/80/19/468958019.db2.gz FUGUSWBEIVYFRP-UHFFFAOYSA-N -1 3 329.335 2.260 10 30 EEEEHM C[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)N1CCc2ccccc21 ZINC000593531542 469020286 /nfs/dbraw/zinc/02/02/86/469020286.db2.gz OHNJKFUBZRLYIA-GFCCVEGCSA-N -1 3 347.465 2.349 10 30 EEEEHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593559050 469034085 /nfs/dbraw/zinc/03/40/85/469034085.db2.gz WIXDLKIKXPTEJT-UHFFFAOYSA-N -1 3 330.431 2.020 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(=O)C1(C)CCCC1 ZINC000628998344 469414730 /nfs/dbraw/zinc/41/47/30/469414730.db2.gz FBYYFRAAKPZVDN-UHFFFAOYSA-N -1 3 343.427 2.474 10 30 EEEEHM C=CC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000628487195 470112023 /nfs/dbraw/zinc/11/20/23/470112023.db2.gz ZQWKPYHEBLCVHT-JTQLQIEISA-N -1 3 348.877 2.104 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000679478027 485708258 /nfs/dbraw/zinc/70/82/58/485708258.db2.gz WRGWTGDXLRBAIN-UHFFFAOYSA-N -1 3 327.299 2.325 10 30 EEEEHM COc1ccc(Cn2nc(C)c(C=NN=c3cc[n-]n3C)c2C)cc1 ZINC000774413354 577398097 /nfs/dbraw/zinc/39/80/97/577398097.db2.gz ZNKGREWIRAUMMD-UHFFFAOYSA-N -1 3 338.415 2.158 10 30 EEEEHM C=CCCC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000761383167 577682991 /nfs/dbraw/zinc/68/29/91/577682991.db2.gz DQWXYOBOHSYKDC-OAHLLOKOSA-N -1 3 331.368 2.075 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(-n3ccnn3)cc2)c1[O-] ZINC000755376790 577824462 /nfs/dbraw/zinc/82/44/62/577824462.db2.gz QAYJOIUDQCIRGC-HMASQMOLSA-N -1 3 337.383 2.349 10 30 EEEEHM C=C(C)CN(C)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897599407 691668133 /nfs/dbraw/zinc/66/81/33/691668133.db2.gz JYIGQRLDJFAUMJ-CYBMUJFWSA-N -1 3 333.436 2.102 10 30 EEEEHM C=CCOc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898220920 691899411 /nfs/dbraw/zinc/89/94/11/691899411.db2.gz FMNHDYHFCTXWCJ-CQSZACIVSA-N -1 3 327.384 2.239 10 30 EEEEHM C#CCCN[C@H](CNC(=O)c1[nH]nc(C)c1[O-])c1ccccc1CC ZINC001271445000 1186230426 /nfs/dbraw/zinc/23/04/26/1186230426.db2.gz DONXRHZZQPIXLQ-MRXNPFEDSA-N -1 3 340.427 2.070 10 30 EEEEHM O=C(/C=C/c1ccsc1C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000868563293 1201835776 /nfs/dbraw/zinc/83/57/76/1201835776.db2.gz QAVFONRIPMNUGH-CDAZIORVSA-N -1 3 334.319 2.277 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC ZINC000882645258 1201913053 /nfs/dbraw/zinc/91/30/53/1201913053.db2.gz OEUDTAYEJILHGW-ARFHVFGLSA-N -1 3 337.441 2.360 10 30 EEEEHM C=CCCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000135082214 1202337330 /nfs/dbraw/zinc/33/73/30/1202337330.db2.gz JROWOALBVCOEIR-UHFFFAOYSA-N -1 3 340.420 2.305 10 30 EEEEHM Cc1ccc([C@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)N(C)C)cc1 ZINC001412468653 1205732740 /nfs/dbraw/zinc/73/27/40/1205732740.db2.gz BQKILSBWZGORDZ-INIZCTEOSA-N -1 3 338.411 2.308 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001487526997 1285953292 /nfs/dbraw/zinc/95/32/92/1285953292.db2.gz LWPVFWXVUPCWRS-LBPRGKRZSA-N -1 3 348.447 2.108 10 30 EEEEHM C=CC[C@@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001123895123 1310752748 /nfs/dbraw/zinc/75/27/48/1310752748.db2.gz OKOHBEVQAIMPFY-MRXNPFEDSA-N -1 3 325.416 2.341 10 30 EEEEHM C=CC[C@@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001123895123 1310752756 /nfs/dbraw/zinc/75/27/56/1310752756.db2.gz OKOHBEVQAIMPFY-MRXNPFEDSA-N -1 3 325.416 2.341 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC001161844087 1320644328 /nfs/dbraw/zinc/64/43/28/1320644328.db2.gz OSGUMUOZXAAUJG-UHFFFAOYSA-N -1 3 327.315 2.291 10 30 EEEEHM C#CCCCCC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001279980158 1324049334 /nfs/dbraw/zinc/04/93/34/1324049334.db2.gz ROKRIVCKTCNLKS-UHFFFAOYSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C(C)CCC(=O)N1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001284865760 1326750782 /nfs/dbraw/zinc/75/07/82/1326750782.db2.gz SNZFIXHWKTXONN-ZDUSSCGKSA-N -1 3 341.415 2.035 10 30 EEEEHM CC(C)[C@H](CNC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001285322240 1326955350 /nfs/dbraw/zinc/95/53/50/1326955350.db2.gz YZGJIQYWTTVXDX-HNNXBMFYSA-N -1 3 330.428 2.312 10 30 EEEEHM CC(C)C#CC(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001295385998 1329807419 /nfs/dbraw/zinc/80/74/19/1329807419.db2.gz LBVZCBJJIKTXLD-UHFFFAOYSA-N -1 3 328.412 2.209 10 30 EEEEHM O=C([C@H]1CCC[C@@H](F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001332493620 1335834886 /nfs/dbraw/zinc/83/48/86/1335834886.db2.gz RHTKECGLQIQJQU-QWHCGFSZSA-N -1 3 348.374 2.419 10 30 EEEEHM C#CCCCCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001332606186 1335860503 /nfs/dbraw/zinc/86/05/03/1335860503.db2.gz ASCLIKWWKUHLAX-UHFFFAOYSA-N -1 3 343.474 2.352 10 30 EEEEHM CC(C)C#CC(=O)N[C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001336696454 1336582601 /nfs/dbraw/zinc/58/26/01/1336582601.db2.gz SGBWOMJENXBQQJ-MRXNPFEDSA-N -1 3 330.428 2.312 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N(C)CCN(C(=O)c1cnc[n-]c1=O)C(C)C ZINC001338761771 1336904777 /nfs/dbraw/zinc/90/47/77/1336904777.db2.gz RECNRVVEJFHKSA-AWEZNQCLSA-N -1 3 348.447 2.094 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001339847169 1337083322 /nfs/dbraw/zinc/08/33/22/1337083322.db2.gz FIHCSOJGGWLWDZ-NEPJUHHUSA-N -1 3 348.447 2.106 10 30 EEEEHM CCCCCCN([O-])C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC001639062574 1352693650 /nfs/dbraw/zinc/69/36/50/1352693650.db2.gz UVQUSZSCURKZAX-UHFFFAOYSA-N -1 3 348.852 2.416 10 30 EEEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)C=C(C)C)CC1 ZINC001358757331 1339090921 /nfs/dbraw/zinc/09/09/21/1339090921.db2.gz ZDDCMZUPCSNKIR-UHFFFAOYSA-N -1 3 340.423 2.425 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nn(C)cc1Cl ZINC001433547072 1341622591 /nfs/dbraw/zinc/62/25/91/1341622591.db2.gz OYXFRHDJLKGHTQ-UHFFFAOYSA-N -1 3 333.779 2.234 10 30 EEEEHM Cc1cc2n[n-]c(NC(=O)c3ccc4c(C#N)c[nH]c4c3)c2c(=O)n1C ZINC001557136817 1342441961 /nfs/dbraw/zinc/44/19/61/1342441961.db2.gz LJOUDZKRBQDMPB-UHFFFAOYSA-N -1 3 346.350 2.175 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)CC)n1 ZINC001573247460 1343624293 /nfs/dbraw/zinc/62/42/93/1343624293.db2.gz CZOJTEXQYBTMIF-SGTLLEGYSA-N -1 3 348.447 2.063 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001576332410 1344000082 /nfs/dbraw/zinc/00/00/82/1344000082.db2.gz AJKIRLGQPJHNEQ-OAHLLOKOSA-N -1 3 328.412 2.259 10 30 EEEEHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001631714181 1352588202 /nfs/dbraw/zinc/58/82/02/1352588202.db2.gz ZACJDQJXIWYZBC-XCVCLJGOSA-N -1 3 337.314 2.227 10 30 EEEEHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001631714181 1352588204 /nfs/dbraw/zinc/58/82/04/1352588204.db2.gz ZACJDQJXIWYZBC-XCVCLJGOSA-N -1 3 337.314 2.227 10 30 EEEEHM COc1cc(CCC(=O)[N-]Oc2cccc(C#N)c2)cc(OC)c1O ZINC001643520739 1352750370 /nfs/dbraw/zinc/75/03/70/1352750370.db2.gz UZEQEMIFFUHVKJ-UHFFFAOYSA-N -1 3 342.351 2.324 10 30 EEEEHM C[C@@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001651457505 1354053801 /nfs/dbraw/zinc/05/38/01/1354053801.db2.gz OBTMAMKANALQPH-RXMQYKEDSA-N -1 3 327.226 2.171 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2F)CCC1 ZINC001657104376 1354327616 /nfs/dbraw/zinc/32/76/16/1354327616.db2.gz WNGNWWSQYFMDOV-UHFFFAOYSA-N -1 3 339.388 2.227 10 30 EEEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C)c1SC ZINC000791770817 809396426 /nfs/dbraw/zinc/39/64/26/809396426.db2.gz FWAMGLBDIHDIFZ-SNVBAGLBSA-N -1 3 344.396 2.112 10 30 EEEEHM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494369801 1103949927 /nfs/dbraw/zinc/94/99/27/1103949927.db2.gz YOXSUBNMLZHPFB-ZBFHGGJFSA-N -1 3 340.423 2.163 10 30 EEEEHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001467746147 1110462875 /nfs/dbraw/zinc/46/28/75/1110462875.db2.gz OYUABYLTAWBNPX-UHFFFAOYSA-N -1 3 334.383 2.480 10 30 EEEEHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001467746147 1110462877 /nfs/dbraw/zinc/46/28/77/1110462877.db2.gz OYUABYLTAWBNPX-UHFFFAOYSA-N -1 3 334.383 2.480 10 30 EEEEHM CCS[C@@H]1CCCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 ZINC001473158077 1110572419 /nfs/dbraw/zinc/57/24/19/1110572419.db2.gz FDSZRIJNVKAECC-CQSZACIVSA-N -1 3 331.445 2.414 10 30 EEEEHM C#CCCCCC(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001509842455 1115918114 /nfs/dbraw/zinc/91/81/14/1115918114.db2.gz ROKRIVCKTCNLKS-SHTZXODSSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1ccns1 ZINC001515690753 1118982057 /nfs/dbraw/zinc/98/20/57/1118982057.db2.gz MQBXOKQUGIHGPR-UHFFFAOYSA-N -1 3 332.389 2.308 10 30 EEEEHM COc1cccc(-n2cc(C(=O)[N-]c3snc(C)c3C#N)nn2)c1 ZINC001530184459 1121845343 /nfs/dbraw/zinc/84/53/43/1121845343.db2.gz PLCQUDCLWOLZRW-UHFFFAOYSA-N -1 3 340.368 2.165 10 30 EEEEHM C=CCOc1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001542943674 1124118112 /nfs/dbraw/zinc/11/81/12/1124118112.db2.gz SJLHKQRQCOHUTN-UHFFFAOYSA-N -1 3 349.394 2.290 10 30 EEEEHM C=CCOc1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001542943674 1124118113 /nfs/dbraw/zinc/11/81/13/1124118113.db2.gz SJLHKQRQCOHUTN-UHFFFAOYSA-N -1 3 349.394 2.290 10 30 EEEEHM N#CCCN(CCC#N)c1ncnc([N-]c2cccnc2)c1[N+](=O)[O-] ZINC000040618088 213359848 /nfs/dbraw/zinc/35/98/48/213359848.db2.gz SBMYNKHCZLYEHI-UHFFFAOYSA-N -1 3 338.331 2.157 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cs1 ZINC000489261833 270020897 /nfs/dbraw/zinc/02/08/97/270020897.db2.gz IHFGCEJDRQAMRF-UHFFFAOYSA-N -1 3 325.390 2.195 10 30 EEEEHM CCOC1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCCC1 ZINC000339029256 465037951 /nfs/dbraw/zinc/03/79/51/465037951.db2.gz LOFQFIILZXYILA-UHFFFAOYSA-N -1 3 340.420 2.466 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000127719827 462576751 /nfs/dbraw/zinc/57/67/51/462576751.db2.gz PLSVUCSIZAJCKM-HIFRSBDPSA-N -1 3 340.420 2.307 10 30 EEEEHM C#Cc1cc(F)c([N-]S(=O)(=O)c2cccc3nonc32)c(F)c1 ZINC000096007294 463138854 /nfs/dbraw/zinc/13/88/54/463138854.db2.gz WXQKRNYRBZBGNT-UHFFFAOYSA-N -1 3 335.291 2.283 10 30 EEEEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)O1 ZINC000188739781 464356541 /nfs/dbraw/zinc/35/65/41/464356541.db2.gz IGJGOEIXLOMFDD-LLVKDONJSA-N -1 3 328.821 2.448 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000293655958 464415438 /nfs/dbraw/zinc/41/54/38/464415438.db2.gz VJOCPWDLHGAIBG-SECBINFHSA-N -1 3 340.334 2.270 10 30 EEEEHM N#CCCN(Cc1cccnc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000354487099 466601421 /nfs/dbraw/zinc/60/14/21/466601421.db2.gz FSNPQSKQGUALAA-UHFFFAOYSA-N -1 3 332.363 2.479 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@@](C)(C#N)CSC)c1ccc(F)cc1 ZINC000600668408 468615704 /nfs/dbraw/zinc/61/57/04/468615704.db2.gz MFQCCUJFCROHTI-KGLIPLIRSA-N -1 3 346.449 2.078 10 30 EEEEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)O1 ZINC000594851882 468704972 /nfs/dbraw/zinc/70/49/72/468704972.db2.gz MEHHOVJRGFXTIS-PWSUYJOCSA-N -1 3 328.821 2.448 10 30 EEEEHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C12CCC2 ZINC000594863898 468711043 /nfs/dbraw/zinc/71/10/43/468711043.db2.gz JQOCWRYEBOIQQB-LSDHHAIUSA-N -1 3 349.456 2.358 10 30 EEEEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C12CCC2 ZINC000593553659 469033269 /nfs/dbraw/zinc/03/32/69/469033269.db2.gz UKUHYWUYKYJODL-CHWSQXEVSA-N -1 3 326.443 2.246 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c(F)c1 ZINC000593631299 469069547 /nfs/dbraw/zinc/06/95/47/469069547.db2.gz GGWTXFATJNWKGF-MRXNPFEDSA-N -1 3 338.404 2.181 10 30 EEEEHM Cn1[n-]c([C@@H]2CCCN2c2nc(C(C)(C)C)ccc2C#N)nc1=N ZINC000596252008 469221949 /nfs/dbraw/zinc/22/19/49/469221949.db2.gz CLHNFHHWZJMPRC-LBPRGKRZSA-N -1 3 325.420 2.133 10 30 EEEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000660143295 471880691 /nfs/dbraw/zinc/88/06/91/471880691.db2.gz PRHARRADACHJCZ-UHFFFAOYSA-N -1 3 331.459 2.113 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000679477866 485708729 /nfs/dbraw/zinc/70/87/29/485708729.db2.gz VCRHNBDPGGZSJC-UHFFFAOYSA-N -1 3 340.228 2.483 10 30 EEEEHM C=CCc1cc(OC)cc(CN2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000732469139 577181640 /nfs/dbraw/zinc/18/16/40/577181640.db2.gz ACRYEDFWDFMWER-UHFFFAOYSA-N -1 3 332.444 2.430 10 30 EEEEHM COc1ccc(-n2cc(C/N=C/c3ccc(O)c([O-])c3O)nn2)cc1 ZINC000755032144 577818444 /nfs/dbraw/zinc/81/84/44/577818444.db2.gz RXLPAAFFOYFHOO-QGMBQPNBSA-N -1 3 340.339 2.012 10 30 EEEEHM O=C(NCC(=O)N([O-])Cc1ccc(F)cc1)OCc1ccccc1 ZINC001649069603 1193506418 /nfs/dbraw/zinc/50/64/18/1193506418.db2.gz DZVKRHRXXNFZNJ-UHFFFAOYSA-N -1 3 332.331 2.470 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000872670799 1198324855 /nfs/dbraw/zinc/32/48/55/1198324855.db2.gz MVHMXXBCPOFEIW-ZMOMAAQPSA-N -1 3 340.470 2.170 10 30 EEEEHM C#C[C@H]1CC[C@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000874861441 1199045048 /nfs/dbraw/zinc/04/50/48/1199045048.db2.gz MCLKIFUXVFKKAF-SHTZXODSSA-N -1 3 328.412 2.129 10 30 EEEEHM Cn1cc(-c2nsc([N-]C(=O)c3ccc(C#N)c(Cl)n3)n2)cn1 ZINC001134662443 1199740052 /nfs/dbraw/zinc/74/00/52/1199740052.db2.gz YXGGVVSLTFYPOD-UHFFFAOYSA-N -1 3 345.775 2.111 10 30 EEEEHM COc1ccccc1NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188802 1199917563 /nfs/dbraw/zinc/91/75/63/1199917563.db2.gz YEBMOBAACVUKQI-UHFFFAOYSA-N -1 3 326.308 2.068 10 30 EEEEHM C=CCNC(=O)NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394876 1200028110 /nfs/dbraw/zinc/02/81/10/1200028110.db2.gz LNYIGMMWAJWQOM-UHFFFAOYSA-N -1 3 341.776 2.051 10 30 EEEEHM C#CCOCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468297 1201083644 /nfs/dbraw/zinc/08/36/44/1201083644.db2.gz RGSRTEMIUFMQBD-CYBMUJFWSA-N -1 3 340.345 2.309 10 30 EEEEHM Cc1c(C#N)c([N-]C(=O)c2scnc2Br)nn1C ZINC001412197615 1205667070 /nfs/dbraw/zinc/66/70/70/1205667070.db2.gz HEFLJLIUZIKXRB-UHFFFAOYSA-N -1 3 326.179 2.072 10 30 EEEEHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccnn1C1CCC1 ZINC000901195211 1235362779 /nfs/dbraw/zinc/36/27/79/1235362779.db2.gz UUIXOFKOGVBYER-UHFFFAOYSA-N -1 3 346.456 2.494 10 30 EEEEHM C#CCCCC(=O)NCCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001489062022 1290349125 /nfs/dbraw/zinc/34/91/25/1290349125.db2.gz MQWZKGLGVVJEGU-UHFFFAOYSA-N -1 3 328.412 2.212 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)s1 ZINC000856750414 1293620281 /nfs/dbraw/zinc/62/02/81/1293620281.db2.gz BVSRIFGTPKVWPP-SSDOTTSWSA-N -1 3 325.242 2.482 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])cc1 ZINC001158245660 1319111962 /nfs/dbraw/zinc/11/19/62/1319111962.db2.gz KIKSOUWURLQCAM-UHFFFAOYSA-N -1 3 325.320 2.421 10 30 EEEEHM C=CCN(CC1CCCCC1)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC001210459267 1325294516 /nfs/dbraw/zinc/29/45/16/1325294516.db2.gz XNRJKKLRRPRZCD-UHFFFAOYSA-N -1 3 346.435 2.297 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001283418141 1326059279 /nfs/dbraw/zinc/05/92/79/1326059279.db2.gz TVMZQCJTLRLDBN-AWEZNQCLSA-N -1 3 346.427 2.094 10 30 EEEEHM CC#CCCCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001283919806 1326319790 /nfs/dbraw/zinc/31/97/90/1326319790.db2.gz UNBDRJHKSRBLEH-INIZCTEOSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001337439449 1336702264 /nfs/dbraw/zinc/70/22/64/1336702264.db2.gz ZTDGEMWSYWCFCE-SGTLLEGYSA-N -1 3 343.431 2.137 10 30 EEEEHM C=C[C@@H](CC(=O)N1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001347252768 1337500411 /nfs/dbraw/zinc/50/04/11/1337500411.db2.gz DDLTVEMBVOWFGQ-HNNXBMFYSA-N -1 3 325.416 2.341 10 30 EEEEHM C=C[C@@H](CC(=O)N1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001347252768 1337500412 /nfs/dbraw/zinc/50/04/12/1337500412.db2.gz DDLTVEMBVOWFGQ-HNNXBMFYSA-N -1 3 325.416 2.341 10 30 EEEEHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)n1cnc(C#N)n1 ZINC001559030728 1342496006 /nfs/dbraw/zinc/49/60/06/1342496006.db2.gz FCYGFLMBJWCDCZ-MRVPVSSYSA-N -1 3 340.170 2.436 10 30 EEEEHM C=C[C@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572044552 1343370302 /nfs/dbraw/zinc/37/03/02/1343370302.db2.gz RMYPQFLUDKMXOB-AJNGGQMLSA-N -1 3 330.428 2.475 10 30 EEEEHM C#CCCCC(=O)N[C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001679696907 1357738346 /nfs/dbraw/zinc/73/83/46/1357738346.db2.gz COBKDFQKFUPEOX-MRXNPFEDSA-N -1 3 330.428 2.456 10 30 EEEEHM C[C@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816693746 784200865 /nfs/dbraw/zinc/20/08/65/784200865.db2.gz QUABJPAUHDRWCJ-BXKDBHETSA-N -1 3 330.306 2.305 10 30 EEEEHM C=CCCC[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908742459 785681329 /nfs/dbraw/zinc/68/13/29/785681329.db2.gz OPOWXLQBGPSZEA-HOTGVXAUSA-N -1 3 333.432 2.398 10 30 EEEEHM C=CCCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908756397 785703900 /nfs/dbraw/zinc/70/39/00/785703900.db2.gz IJKIVPFZTKESJA-SJORKVTESA-N -1 3 345.443 2.370 10 30 EEEEHM C=C(C)C[C@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000908991054 785920552 /nfs/dbraw/zinc/92/05/52/785920552.db2.gz WNTJBPZHUBRESF-ZBFHGGJFSA-N -1 3 333.432 2.226 10 30 EEEEHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000845860157 789967828 /nfs/dbraw/zinc/96/78/28/789967828.db2.gz BJYAJQWXUXWGLZ-UHFFFAOYSA-N -1 3 335.454 2.473 10 30 EEEEHM CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ncccc2[O-])c1 ZINC000792087433 809595153 /nfs/dbraw/zinc/59/51/53/809595153.db2.gz ZOFBTZBKERLKOL-CQSZACIVSA-N -1 3 340.383 2.468 10 30 EEEEHM C=C(C)CCC(=O)N(CCC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001529567223 1121485785 /nfs/dbraw/zinc/48/57/85/1121485785.db2.gz QLVVNQZYUKREFX-UHFFFAOYSA-N -1 3 343.431 2.283 10 30 EEEEHM C=CC(C)(C)CC(=O)NCCCN(C(=O)c1cnc[n-]c1=O)C(C)C ZINC001529935421 1121682692 /nfs/dbraw/zinc/68/26/92/1121682692.db2.gz VXODISCLTKORES-UHFFFAOYSA-N -1 3 348.447 2.141 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)s1 ZINC000377288480 154124968 /nfs/dbraw/zinc/12/49/68/154124968.db2.gz JZKRBDHMMCBYJW-LLVKDONJSA-N -1 3 338.385 2.041 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1c(F)cncc1F ZINC000352534711 162176736 /nfs/dbraw/zinc/17/67/36/162176736.db2.gz YWYHVFWHJJQXIY-QMMMGPOBSA-N -1 3 341.314 2.410 10 30 EEEEHM CCc1ccc([O-])c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000355314342 163142249 /nfs/dbraw/zinc/14/22/49/163142249.db2.gz VYDIKUUYJRQUAN-UHFFFAOYSA-N -1 3 336.395 2.184 10 30 EEEEHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000435426191 267115549 /nfs/dbraw/zinc/11/55/49/267115549.db2.gz GTTSRDISCFFSLA-UHFFFAOYSA-N -1 3 342.442 2.164 10 30 EEEEHM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328640641 465084640 /nfs/dbraw/zinc/08/46/40/465084640.db2.gz CSNQAVYVURTLNW-NSHDSACASA-N -1 3 333.367 2.314 10 30 EEEEHM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328640641 465084642 /nfs/dbraw/zinc/08/46/42/465084642.db2.gz CSNQAVYVURTLNW-NSHDSACASA-N -1 3 333.367 2.314 10 30 EEEEHM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328640641 465084649 /nfs/dbraw/zinc/08/46/49/465084649.db2.gz CSNQAVYVURTLNW-NSHDSACASA-N -1 3 333.367 2.314 10 30 EEEEHM Cc1cccn2c(=O)c(C(=O)Nc3nnc(-c4ccco4)[n-]3)cnc12 ZINC000091045913 462825288 /nfs/dbraw/zinc/82/52/88/462825288.db2.gz UZZITEJNZMAJNZ-UHFFFAOYSA-N -1 3 336.311 2.017 10 30 EEEEHM Cc1cccn2c(=O)c(C(=O)Nc3nc(-c4ccco4)n[n-]3)cnc12 ZINC000091045913 462825296 /nfs/dbraw/zinc/82/52/96/462825296.db2.gz UZZITEJNZMAJNZ-UHFFFAOYSA-N -1 3 336.311 2.017 10 30 EEEEHM Cc1cccn2c(=O)c(C(=O)Nc3n[n-]c(-c4ccco4)n3)cnc12 ZINC000091045913 462825304 /nfs/dbraw/zinc/82/53/04/462825304.db2.gz UZZITEJNZMAJNZ-UHFFFAOYSA-N -1 3 336.311 2.017 10 30 EEEEHM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c1C#N ZINC000137667961 463298150 /nfs/dbraw/zinc/29/81/50/463298150.db2.gz YQARBZJMEINPRH-UHFFFAOYSA-N -1 3 337.788 2.020 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000162767117 463536924 /nfs/dbraw/zinc/53/69/24/463536924.db2.gz FAAWMUDIHCNLHL-CMPLNLGQSA-N -1 3 348.346 2.016 10 30 EEEEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287404075 463888666 /nfs/dbraw/zinc/88/86/66/463888666.db2.gz OPWWDLNUHWXLKX-DTWKUNHWSA-N -1 3 347.234 2.022 10 30 EEEEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000274366832 464743025 /nfs/dbraw/zinc/74/30/25/464743025.db2.gz NSUQPESZSXSOAR-CQSZACIVSA-N -1 3 341.389 2.210 10 30 EEEEHM N#Cc1c(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n[nH]c1C1CC1 ZINC000359722081 465485599 /nfs/dbraw/zinc/48/55/99/465485599.db2.gz FDORYEYBCPRKJC-UHFFFAOYSA-N -1 3 336.330 2.940 10 30 EEEEHM N#CCCCOc1cccc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000344197893 465594921 /nfs/dbraw/zinc/59/49/21/465594921.db2.gz NXXYQQCUJWJYLD-UHFFFAOYSA-N -1 3 326.404 2.441 10 30 EEEEHM N#CCCCOc1cccc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000344197893 465594928 /nfs/dbraw/zinc/59/49/28/465594928.db2.gz NXXYQQCUJWJYLD-UHFFFAOYSA-N -1 3 326.404 2.441 10 30 EEEEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncccc2OCCCC#N)n1 ZINC000427463968 467159318 /nfs/dbraw/zinc/15/93/18/467159318.db2.gz UTWYUHKWTJHHFC-UHFFFAOYSA-N -1 3 344.331 2.141 10 30 EEEEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1F ZINC000428266157 467217384 /nfs/dbraw/zinc/21/73/84/467217384.db2.gz QYIDMYRXXYEWKO-JTQLQIEISA-N -1 3 335.360 2.140 10 30 EEEEHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000527043289 467653062 /nfs/dbraw/zinc/65/30/62/467653062.db2.gz MRWSERMZQYKYOB-JTQLQIEISA-N -1 3 346.836 2.334 10 30 EEEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@H](C)C#N ZINC000528335660 467679671 /nfs/dbraw/zinc/67/96/71/467679671.db2.gz HWTRHRMQASLBGB-MRVPVSSYSA-N -1 3 338.307 2.032 10 30 EEEEHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000516143203 468014250 /nfs/dbraw/zinc/01/42/50/468014250.db2.gz COWHVAJGNPQFNT-SNVBAGLBSA-N -1 3 347.234 2.428 10 30 EEEEHM CC[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(Br)c1C ZINC000594577149 468625279 /nfs/dbraw/zinc/62/52/79/468625279.db2.gz RFYLOZUKHVUEGA-NSHDSACASA-N -1 3 331.235 2.479 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)CCCC1 ZINC000594492562 468608327 /nfs/dbraw/zinc/60/83/27/468608327.db2.gz XWZJTJQEQLLTBN-AWEZNQCLSA-N -1 3 326.462 2.482 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)cc(C#N)c1)C1CCOCC1 ZINC000592352699 468681249 /nfs/dbraw/zinc/68/12/49/468681249.db2.gz BIDTXUFJXBMMDH-MRXNPFEDSA-N -1 3 338.429 2.050 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000594801471 468691670 /nfs/dbraw/zinc/69/16/70/468691670.db2.gz PCQPLTMTUJXMCP-LBPRGKRZSA-N -1 3 348.346 2.016 10 30 EEEEHM C=CCCSCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000594817996 468695794 /nfs/dbraw/zinc/69/57/94/468695794.db2.gz QPJFFFBXDXACTR-GFCCVEGCSA-N -1 3 329.491 2.368 10 30 EEEEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)O1 ZINC000594852543 468705551 /nfs/dbraw/zinc/70/55/51/468705551.db2.gz RAVHAOYZXQFCOL-RISCZKNCSA-N -1 3 326.393 2.074 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CNc3ccccc32)s1 ZINC000601344763 468834547 /nfs/dbraw/zinc/83/45/47/468834547.db2.gz DLCJUHWWHJMSQO-NSHDSACASA-N -1 3 333.438 2.497 10 30 EEEEHM CC(C)(F)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000601476319 468889627 /nfs/dbraw/zinc/88/96/27/468889627.db2.gz ONNUXJIRIWJOPP-UHFFFAOYSA-N -1 3 335.198 2.347 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000593608548 469057134 /nfs/dbraw/zinc/05/71/34/469057134.db2.gz LCUBAPCKORBFMW-SNVBAGLBSA-N -1 3 328.484 2.431 10 30 EEEEHM Cc1nc([N-]C(=O)c2c(F)cccc2F)n(-c2ccc(C#N)cc2)n1 ZINC000610207912 469987233 /nfs/dbraw/zinc/98/72/33/469987233.db2.gz UPEZNEYCBMGITE-UHFFFAOYSA-N -1 3 339.305 2.400 10 30 EEEEHM Cc1cc(C(C#N)=C([O-])c2ccnn2C2CCOCC2)nc(C)n1 ZINC000659025905 471472873 /nfs/dbraw/zinc/47/28/73/471472873.db2.gz VWTCEXCXXSEJGK-AWEZNQCLSA-N -1 3 325.372 2.132 10 30 EEEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)c1 ZINC000656619327 471785451 /nfs/dbraw/zinc/78/54/51/471785451.db2.gz MXCHUZIOFXMHMN-XJKSGUPXSA-N -1 3 341.429 2.045 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccnc2Cl)c(F)c1 ZINC000738373591 578011500 /nfs/dbraw/zinc/01/15/00/578011500.db2.gz HGJZALXOXIBMPS-UHFFFAOYSA-N -1 3 325.752 2.224 10 30 EEEEHM CCC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc(Oc2ccccc2)cc1 ZINC000765595856 577503730 /nfs/dbraw/zinc/50/37/30/577503730.db2.gz QKYSIXPPITXSJT-UHFFFAOYSA-N -1 3 336.351 2.195 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)c1sccc1C#N ZINC000744899551 577905066 /nfs/dbraw/zinc/90/50/66/577905066.db2.gz OJFPJQADOUKDHC-SNVBAGLBSA-N -1 3 344.396 2.005 10 30 EEEEHM O=C(C[C@@H]1C[C@H]1C1CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904186775 694315479 /nfs/dbraw/zinc/31/54/79/694315479.db2.gz AJZIOKVRTBFFCR-BBRMVZONSA-N -1 3 342.395 2.327 10 30 EEEEHM C[C@@]1(C(=O)N([O-])CCCCc2ccccc2)CCCS1(=O)=O ZINC000904192555 694324148 /nfs/dbraw/zinc/32/41/48/694324148.db2.gz QBRSCZPMEHBUCT-INIZCTEOSA-N -1 3 325.430 2.194 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001486708936 1194181460 /nfs/dbraw/zinc/18/14/60/1194181460.db2.gz HEJPRGPRIYKPNE-VXGBXAGGSA-N -1 3 346.431 2.039 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)C(=O)OCC ZINC000870030476 1200418494 /nfs/dbraw/zinc/41/84/94/1200418494.db2.gz GSJOZVREKIBRLA-SNVBAGLBSA-N -1 3 339.766 2.117 10 30 EEEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)CCc1ccccc1)C(=O)OCC ZINC000867591658 1201639803 /nfs/dbraw/zinc/63/98/03/1201639803.db2.gz AGNFPPBXWSEOTD-AWEZNQCLSA-N -1 3 345.848 2.223 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 ZINC000882538543 1201891518 /nfs/dbraw/zinc/89/15/18/1201891518.db2.gz DWSINQTVTNWKTL-HUUCEWRRSA-N -1 3 325.430 2.375 10 30 EEEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000882848824 1201956863 /nfs/dbraw/zinc/95/68/63/1201956863.db2.gz RSGXHUHRRUKUKP-ZDUSSCGKSA-N -1 3 338.454 2.416 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(F)cc3)C2)c1[O-] ZINC000840714005 1315402280 /nfs/dbraw/zinc/40/22/80/1315402280.db2.gz WOERRNHFHHTHAD-MNPVBQOISA-N -1 3 329.375 2.425 10 30 EEEEHM C[C@H](NC(=O)C#CC(C)(C)C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001286193912 1327333676 /nfs/dbraw/zinc/33/36/76/1327333676.db2.gz CDWPBHQYRNVTQG-ZDUSSCGKSA-N -1 3 328.412 2.018 10 30 EEEEHM C=CCC(C)(C)C(=O)NCc1nc(CNC(=O)[C@@H](C)CC)cc(=O)[n-]1 ZINC001290363892 1328181674 /nfs/dbraw/zinc/18/16/74/1328181674.db2.gz ADUZCZDYUWVYAU-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM CC#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001295684925 1329831734 /nfs/dbraw/zinc/83/17/34/1329831734.db2.gz BFRRYZKAYYRMLK-HNNXBMFYSA-N -1 3 328.412 2.164 10 30 EEEEHM O=C(C#CC1CC1)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298893773 1330131882 /nfs/dbraw/zinc/13/18/82/1330131882.db2.gz LORSMQOGXKLBKG-WBVHZDCISA-N -1 3 340.423 2.210 10 30 EEEEHM O=C([C@@H]1CCC[C@H](F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001332493619 1335834994 /nfs/dbraw/zinc/83/49/94/1335834994.db2.gz RHTKECGLQIQJQU-OLZOCXBDSA-N -1 3 348.374 2.419 10 30 EEEEHM CCCCN([O-])C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001559035335 1342496156 /nfs/dbraw/zinc/49/61/56/1342496156.db2.gz MMFGISXENDDZPQ-SJCJKPOMSA-N -1 3 339.436 2.141 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001572194597 1343428140 /nfs/dbraw/zinc/42/81/40/1343428140.db2.gz CZRSDWYNAWEORZ-CQSZACIVSA-N -1 3 348.447 2.045 10 30 EEEEHM N#Cc1cc(NCCNC(=O)c2ccc([O-])cc2)c([N+](=O)[O-])s1 ZINC001654985796 1354162544 /nfs/dbraw/zinc/16/25/44/1354162544.db2.gz RGTCGTJXHVWLFU-UHFFFAOYSA-N -1 3 332.341 2.075 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2cccc(Br)n2)CCCC1 ZINC001656624167 1354253207 /nfs/dbraw/zinc/25/32/07/1354253207.db2.gz FGVHZBRVJSCBOP-UHFFFAOYSA-N -1 3 329.219 2.068 10 30 EEEEHM Cc1ccc(-c2nc(C(=O)N[C@@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000816759617 784247700 /nfs/dbraw/zinc/24/77/00/784247700.db2.gz QOOVVJMQSKXVFP-GFCCVEGCSA-N -1 3 331.397 2.229 10 30 EEEEHM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908740948 785680420 /nfs/dbraw/zinc/68/04/20/785680420.db2.gz CCBJOBTYPMOXMV-KGLIPLIRSA-N -1 3 339.823 2.184 10 30 EEEEHM C=CCCC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908756395 785702738 /nfs/dbraw/zinc/70/27/38/785702738.db2.gz IJKIVPFZTKESJA-IAGOWNOFSA-N -1 3 345.443 2.370 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000923159326 789002696 /nfs/dbraw/zinc/00/26/96/789002696.db2.gz JVSAROGAMKJIQI-WFASDCNBSA-N -1 3 330.340 2.467 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)C(C)C)ccc1F ZINC000172455686 791689661 /nfs/dbraw/zinc/68/96/61/791689661.db2.gz OJIIYNZMBQKLNZ-GFCCVEGCSA-N -1 3 342.436 2.312 10 30 EEEEHM C=C(C)C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(=O)OC ZINC001171469262 796607031 /nfs/dbraw/zinc/60/70/31/796607031.db2.gz GHDJZNCBSIKXNB-ZDUSSCGKSA-N -1 3 341.310 2.095 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2ccc(Br)cn2)CCC1 ZINC000922047361 798752256 /nfs/dbraw/zinc/75/22/56/798752256.db2.gz RRTYBQIUBBITHW-UHFFFAOYSA-N -1 3 329.219 2.068 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(C)(C)C ZINC000805146390 811158519 /nfs/dbraw/zinc/15/85/19/811158519.db2.gz DJTMHITWCYMENF-SNVBAGLBSA-N -1 3 331.235 2.170 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001510034151 1115960930 /nfs/dbraw/zinc/96/09/30/1115960930.db2.gz YLRUYELPWPHDTH-CYBMUJFWSA-N -1 3 343.431 2.329 10 30 EEEEHM C#C[C@@H]1CCCN(c2nnc(-c3nn(-c4ccccc4)cc3[O-])n2C)C1 ZINC001519520606 1119084544 /nfs/dbraw/zinc/08/45/44/1119084544.db2.gz AKAVPWWUOWAGMO-CQSZACIVSA-N -1 3 348.410 2.223 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001520569850 1119176611 /nfs/dbraw/zinc/17/66/11/1119176611.db2.gz DGNZVLSHVCZUHT-FMKPAKJESA-N -1 3 346.427 2.093 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)cs1 ZINC000451175993 243022801 /nfs/dbraw/zinc/02/28/01/243022801.db2.gz NRNRJIANMFXDDM-UHFFFAOYSA-N -1 3 339.417 2.336 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000129869555 292364209 /nfs/dbraw/zinc/36/42/09/292364209.db2.gz KFEVSAKGGSQGFA-AAEUAGOBSA-N -1 3 328.821 2.041 10 30 EEEEHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119883660 159382038 /nfs/dbraw/zinc/38/20/38/159382038.db2.gz IRBITVCCJDMDAT-NSHDSACASA-N -1 3 336.355 2.088 10 30 EEEEHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119883660 159382040 /nfs/dbraw/zinc/38/20/40/159382040.db2.gz IRBITVCCJDMDAT-NSHDSACASA-N -1 3 336.355 2.088 10 30 EEEEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)on1 ZINC000352644612 162224520 /nfs/dbraw/zinc/22/45/20/162224520.db2.gz JVHPLOGYEHNAOH-UHFFFAOYSA-N -1 3 325.777 2.029 10 30 EEEEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416664834 267258891 /nfs/dbraw/zinc/25/88/91/267258891.db2.gz UBUCWJIINXJJLQ-OAHLLOKOSA-N -1 3 330.413 2.131 10 30 EEEEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000578899763 468277478 /nfs/dbraw/zinc/27/74/78/468277478.db2.gz WOOJMKJAKDRPOP-MFKMUULPSA-N -1 3 330.837 2.287 10 30 EEEEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(-n2cncn2)cc1 ZINC000047343057 462771415 /nfs/dbraw/zinc/77/14/15/462771415.db2.gz MZEWBBQGFXSDDQ-UHFFFAOYSA-N -1 3 332.327 2.084 10 30 EEEEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(-n2cncn2)cc1 ZINC000047343057 462771420 /nfs/dbraw/zinc/77/14/20/462771420.db2.gz MZEWBBQGFXSDDQ-UHFFFAOYSA-N -1 3 332.327 2.084 10 30 EEEEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(-n2cncn2)cc1 ZINC000047343057 462771424 /nfs/dbraw/zinc/77/14/24/462771424.db2.gz MZEWBBQGFXSDDQ-UHFFFAOYSA-N -1 3 332.327 2.084 10 30 EEEEHM COc1ccc(C([O-])=C(C#N)c2nnc(-c3ccccc3)n2C)cn1 ZINC000066548379 462903260 /nfs/dbraw/zinc/90/32/60/462903260.db2.gz IRSUOQRNAPMLDS-AWEZNQCLSA-N -1 3 333.351 2.376 10 30 EEEEHM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CC3)CCCCCC2)no1 ZINC000164588952 463626856 /nfs/dbraw/zinc/62/68/56/463626856.db2.gz GIUHMGRJCXITPL-UHFFFAOYSA-N -1 3 338.433 2.151 10 30 EEEEHM C=CCCCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000287532138 463918365 /nfs/dbraw/zinc/91/83/65/463918365.db2.gz NQEGZSGUFYCGIH-UHFFFAOYSA-N -1 3 329.397 2.164 10 30 EEEEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000289574389 464085771 /nfs/dbraw/zinc/08/57/71/464085771.db2.gz OPWWDLNUHWXLKX-BDAKNGLRSA-N -1 3 347.234 2.022 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCC(O)CC2)c1 ZINC000227646866 464188935 /nfs/dbraw/zinc/18/89/35/464188935.db2.gz LSMAUNNGRSKJTJ-UHFFFAOYSA-N -1 3 328.821 2.041 10 30 EEEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000295368369 464804671 /nfs/dbraw/zinc/80/46/71/464804671.db2.gz ZRBKWUGDCKQLJA-CQSZACIVSA-N -1 3 328.409 2.178 10 30 EEEEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)cc3F)cn21 ZINC000591324699 468447038 /nfs/dbraw/zinc/44/70/38/468447038.db2.gz SNOWCXAQFGFCSN-LLVKDONJSA-N -1 3 348.403 2.270 10 30 EEEEHM CC(C)n1nc(C([O-])=C(C#N)c2ccncn2)c2ccccc2c1=O ZINC000354466840 466587965 /nfs/dbraw/zinc/58/79/65/466587965.db2.gz KHPIRJBAILLIJF-AWEZNQCLSA-N -1 3 333.351 2.257 10 30 EEEEHM C=C[C@@H](CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)c1ccccc1 ZINC000550111321 468206355 /nfs/dbraw/zinc/20/63/55/468206355.db2.gz JVKBLZWXRXCFDU-ZFWWWQNUSA-N -1 3 325.416 2.251 10 30 EEEEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCC#N)C1CCCCCC1 ZINC000594481647 468603038 /nfs/dbraw/zinc/60/30/38/468603038.db2.gz FDWFCGBAUDPZJZ-CQSZACIVSA-N -1 3 330.450 2.112 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@](C)(C#N)CSC)c1ccc(F)cc1 ZINC000600668409 468615793 /nfs/dbraw/zinc/61/57/93/468615793.db2.gz MFQCCUJFCROHTI-UONOGXRCSA-N -1 3 346.449 2.078 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594871027 468713664 /nfs/dbraw/zinc/71/36/64/468713664.db2.gz UTKGPAGLLZAUSH-UHFFFAOYSA-N -1 3 327.356 2.200 10 30 EEEEHM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000595391583 468836151 /nfs/dbraw/zinc/83/61/51/468836151.db2.gz MRWHDPBKORQBFW-GOEBONIOSA-N -1 3 336.457 2.154 10 30 EEEEHM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000595396119 468838317 /nfs/dbraw/zinc/83/83/17/468838317.db2.gz XZTBLYQCZWMMFT-WCQYABFASA-N -1 3 336.438 2.063 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OC ZINC000601500615 468896636 /nfs/dbraw/zinc/89/66/36/468896636.db2.gz BOGSVHOLWWJUJT-CQSZACIVSA-N -1 3 345.848 2.310 10 30 EEEEHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]2CCCO[C@H]21 ZINC000593553545 469031643 /nfs/dbraw/zinc/03/16/43/469031643.db2.gz SRNLXQJPQOHZQV-OASPWFOLSA-N -1 3 326.443 2.102 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000593554073 469033334 /nfs/dbraw/zinc/03/33/34/469033334.db2.gz QBRKEFPPIKREGH-LBPRGKRZSA-N -1 3 328.459 2.229 10 30 EEEEHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593577918 469045034 /nfs/dbraw/zinc/04/50/34/469045034.db2.gz CJPRWBUSACOHLA-NEPJUHHUSA-N -1 3 328.459 2.492 10 30 EEEEHM C[C@]1(C[N-]S(=O)(=O)c2ccsc2C#N)CCO[C@@H]1C1CC1 ZINC000593579353 469045754 /nfs/dbraw/zinc/04/57/54/469045754.db2.gz WJWOVOUERFVRNJ-ZIAGYGMSSA-N -1 3 326.443 2.103 10 30 EEEEHM COCC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCCCC1 ZINC000593599917 469053272 /nfs/dbraw/zinc/05/32/72/469053272.db2.gz YZTQLKRIWKNRBY-UHFFFAOYSA-N -1 3 328.459 2.495 10 30 EEEEHM N#CC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCCC1 ZINC000593773477 469132799 /nfs/dbraw/zinc/13/27/99/469132799.db2.gz JLFPKDXVICIXPR-OAHLLOKOSA-N -1 3 341.411 2.197 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000599360787 469227292 /nfs/dbraw/zinc/22/72/92/469227292.db2.gz QPKFHGQVIFZAAW-UHFFFAOYSA-N -1 3 329.393 2.493 10 30 EEEEHM N#CC1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCCCC1 ZINC000596480440 469279554 /nfs/dbraw/zinc/27/95/54/469279554.db2.gz PQTYMUDHNCIYNB-UHFFFAOYSA-N -1 3 326.356 2.166 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CCOCC1 ZINC000657129469 471976274 /nfs/dbraw/zinc/97/62/74/471976274.db2.gz OOVZDBOCRRNCHK-ZDUSSCGKSA-N -1 3 339.461 2.184 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000765585628 577503517 /nfs/dbraw/zinc/50/35/17/577503517.db2.gz CPROCOQVGSSQAQ-AWEZNQCLSA-N -1 3 339.351 2.198 10 30 EEEEHM C[C@](O)(C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000759080120 577636733 /nfs/dbraw/zinc/63/67/33/577636733.db2.gz ZJGJJIWGHHICNV-HNNXBMFYSA-N -1 3 340.420 2.037 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000904205047 694328281 /nfs/dbraw/zinc/32/82/81/694328281.db2.gz YQAFXROQPOLFEB-CVEARBPZSA-N -1 3 338.448 2.226 10 30 EEEEHM N#Cc1ccc(OCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC001412404200 1205715659 /nfs/dbraw/zinc/71/56/59/1205715659.db2.gz BOEDFUXRYYTZHR-UHFFFAOYSA-N -1 3 338.367 2.017 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001281182673 1324835900 /nfs/dbraw/zinc/83/59/00/1324835900.db2.gz BQYMTWGEKSNAMK-XLIONFOSSA-N -1 3 340.423 2.305 10 30 EEEEHM C#CCC1(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)CCC1 ZINC001285306779 1326949367 /nfs/dbraw/zinc/94/93/67/1326949367.db2.gz OPNOHQVOOMLKMT-MRXNPFEDSA-N -1 3 342.439 2.456 10 30 EEEEHM CC(C)[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001285322241 1326955271 /nfs/dbraw/zinc/95/52/71/1326955271.db2.gz YZGJIQYWTTVXDX-OAHLLOKOSA-N -1 3 330.428 2.312 10 30 EEEEHM CC(C)C#CC(=O)N1CCC(CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001296887510 1329930816 /nfs/dbraw/zinc/93/08/16/1329930816.db2.gz REFRSEQISYZQRB-UHFFFAOYSA-N -1 3 342.439 2.362 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001297403755 1329969154 /nfs/dbraw/zinc/96/91/54/1329969154.db2.gz BARYEBONKSPWAH-OLZOCXBDSA-N -1 3 343.431 2.185 10 30 EEEEHM C=C(C)[C@@H](CC(=O)NC1(CNC(=O)c2ccccc2[O-])CC1)OCC ZINC001299124079 1330164344 /nfs/dbraw/zinc/16/43/44/1330164344.db2.gz NSQCHUGFEDVMBH-MRXNPFEDSA-N -1 3 346.427 2.142 10 30 EEEEHM CON=Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001304130752 1331379594 /nfs/dbraw/zinc/37/95/94/1331379594.db2.gz CIYQCQVKOPYVHS-MRVPVSSYSA-N -1 3 341.293 2.295 10 30 EEEEHM N#Cc1ccc(F)cc1CNC/C=C/CNC(=O)c1ccccc1[O-] ZINC001320971427 1332989836 /nfs/dbraw/zinc/98/98/36/1332989836.db2.gz OHSNWPCYVHGMFH-ONEGZZNKSA-N -1 3 339.370 2.479 10 30 EEEEHM C=CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001333934493 1336176727 /nfs/dbraw/zinc/17/67/27/1336176727.db2.gz LTDFWXATKMYXHT-NWDGAFQWSA-N -1 3 346.431 2.039 10 30 EEEEHM C=CCCCC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)C[C@H]1C ZINC001338145023 1336801577 /nfs/dbraw/zinc/80/15/77/1336801577.db2.gz CTZFWWXOCBLUBZ-OLZOCXBDSA-N -1 3 341.415 2.033 10 30 EEEEHM C=CCCCC(=O)NC[C@H](NC(=O)c1c(C)nc[n-]c1=O)C(C)(C)C ZINC001338912854 1336930945 /nfs/dbraw/zinc/93/09/45/1336930945.db2.gz UMYIMLVFBLTROO-ZDUSSCGKSA-N -1 3 348.447 2.108 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001339858106 1337085692 /nfs/dbraw/zinc/08/56/92/1337085692.db2.gz YUYIKUVOAQVVME-OAHLLOKOSA-N -1 3 348.357 2.171 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(=O)OCC ZINC001561876515 1342532251 /nfs/dbraw/zinc/53/22/51/1342532251.db2.gz UCZRNJBSPYARNG-BBBYJDLNSA-N -1 3 329.462 2.384 10 30 EEEEHM C=CCC(C)(C)C(=O)NC[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001569375002 1342860770 /nfs/dbraw/zinc/86/07/70/1342860770.db2.gz PQEFGYAQMQDCOG-OAHLLOKOSA-N -1 3 344.459 2.352 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001647016096 1353107317 /nfs/dbraw/zinc/10/73/17/1353107317.db2.gz NKIJRQGIZMSNNL-WMLDXEAASA-N -1 3 343.427 2.236 10 30 EEEEHM C#CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC001671458855 1356342430 /nfs/dbraw/zinc/34/24/30/1356342430.db2.gz HIMRDKXSYFEQOG-GFCCVEGCSA-N -1 3 347.267 2.369 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)c2cc(N3CCOC3=O)ccc2F)c1 ZINC001171256513 790692082 /nfs/dbraw/zinc/69/20/82/790692082.db2.gz WFKMFCXKLBZIBI-UHFFFAOYSA-N -1 3 341.298 2.378 10 30 EEEEHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1CCN([O-])C1=O ZINC000816696261 784202043 /nfs/dbraw/zinc/20/20/43/784202043.db2.gz VMFBIERSGMFEPG-LBPRGKRZSA-N -1 3 349.774 2.034 10 30 EEEEHM CC(C)(C)n1ncnc1C[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000908021098 785024222 /nfs/dbraw/zinc/02/42/22/785024222.db2.gz RQANRQHGGDWXFN-UHFFFAOYSA-N -1 3 333.342 2.313 10 30 EEEEHM CC(C)(C(=O)N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820173799 785822132 /nfs/dbraw/zinc/82/21/32/785822132.db2.gz CXKFWAHXJQNJLM-NSHDSACASA-N -1 3 330.306 2.089 10 30 EEEEHM C/C(=C/C(=O)N[C@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820179612 785825171 /nfs/dbraw/zinc/82/51/71/785825171.db2.gz MVLDEXYMNFYCSG-LAUAKBEESA-N -1 3 328.290 2.215 10 30 EEEEHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)cc1 ZINC000791773405 809396879 /nfs/dbraw/zinc/39/68/79/809396879.db2.gz KJXIGGUVDKUKOP-LBPRGKRZSA-N -1 3 344.396 2.112 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(C)(C)C ZINC000805146432 811158831 /nfs/dbraw/zinc/15/88/31/811158831.db2.gz GDMONNRQYPHUBC-ZDUSSCGKSA-N -1 3 343.832 2.453 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001565991653 1125486881 /nfs/dbraw/zinc/48/68/81/1125486881.db2.gz PGYYACRYJQJITI-WLMCBFPDSA-N -1 3 338.839 2.243 10 30 EEEEHM N#CCNCc1cc(=O)[n-]c(CNC(=O)CCCC2CCCCC2)n1 ZINC001479611607 1098635065 /nfs/dbraw/zinc/63/50/65/1098635065.db2.gz HXOPKNUNUUVHRJ-UHFFFAOYSA-N -1 3 345.447 2.162 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2OCC#N)[n-]n1 ZINC001456334266 1109147171 /nfs/dbraw/zinc/14/71/71/1109147171.db2.gz PILIDBJVTKPFPI-UHFFFAOYSA-N -1 3 328.328 2.130 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2OCC#N)n[n-]1 ZINC001456334266 1109147174 /nfs/dbraw/zinc/14/71/74/1109147174.db2.gz PILIDBJVTKPFPI-UHFFFAOYSA-N -1 3 328.328 2.130 10 30 EEEEHM N#Cc1ccc(CN2CCCN(C(=O)c3ccc([O-])cn3)CC2)cc1 ZINC001463838680 1110381731 /nfs/dbraw/zinc/38/17/31/1110381731.db2.gz QYXSRWMMFJDPEK-UHFFFAOYSA-N -1 3 336.395 2.007 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NOc1cccc(C#N)c1 ZINC001471086522 1110517272 /nfs/dbraw/zinc/51/72/72/1110517272.db2.gz WWGLNFONJXSHJO-UHFFFAOYSA-N -1 3 336.351 2.190 10 30 EEEEHM NCC#Cc1cc(Cl)c(S(=O)(=O)[N-]C2CCC2)c(Cl)c1 ZINC000052214245 214122100 /nfs/dbraw/zinc/12/21/00/214122100.db2.gz YRCCVJMVJABMFH-UHFFFAOYSA-N -1 3 333.240 2.134 10 30 EEEEHM N#Cc1cccc([C@H]2CN(C(=O)/C=C/c3cncc([O-])c3)CCO2)c1 ZINC000367917598 166020730 /nfs/dbraw/zinc/02/07/30/166020730.db2.gz NCCHWPZKGDKEKA-SHCNBLLESA-N -1 3 335.363 2.272 10 30 EEEEHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCCC1 ZINC000435427637 269899193 /nfs/dbraw/zinc/89/91/93/269899193.db2.gz MWPGOLWFDNNAFF-AWEZNQCLSA-N -1 3 328.459 2.229 10 30 EEEEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000528498816 266979207 /nfs/dbraw/zinc/97/92/07/266979207.db2.gz XFEKXEMFIIAODC-YGRLFVJLSA-N -1 3 326.805 2.057 10 30 EEEEHM N#Cc1cccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)n1 ZINC000352956388 268261126 /nfs/dbraw/zinc/26/11/26/268261126.db2.gz USGPIDMBBPUWIQ-UHFFFAOYSA-N -1 3 330.338 2.259 10 30 EEEEHM N#Cc1c(F)cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000563400733 319006816 /nfs/dbraw/zinc/00/68/16/319006816.db2.gz UBROLYOYVXPVGC-UHFFFAOYSA-N -1 3 330.294 2.139 10 30 EEEEHM CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000119041959 462869463 /nfs/dbraw/zinc/86/94/63/462869463.db2.gz XCDUKTFTYPGNJY-UKRRQHHQSA-N -1 3 329.400 2.005 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCOc2ccccc21 ZINC000178498027 463911244 /nfs/dbraw/zinc/91/12/44/463911244.db2.gz JBYATKGAWUBDPN-AWEZNQCLSA-N -1 3 332.356 2.499 10 30 EEEEHM COCCn1nc(C)c(NC(=O)[N-]c2snc(C)c2C#N)c1C ZINC000294200986 464435830 /nfs/dbraw/zinc/43/58/30/464435830.db2.gz LULVFCPNGLZXCT-UHFFFAOYSA-N -1 3 334.405 2.427 10 30 EEEEHM C=CC[C@@H]1CCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000600027595 468438378 /nfs/dbraw/zinc/43/83/78/468438378.db2.gz XIAYWXLMLHUMBN-LLVKDONJSA-N -1 3 336.413 2.288 10 30 EEEEHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000352861554 465561129 /nfs/dbraw/zinc/56/11/29/465561129.db2.gz IJIMEXGBNUIVEA-MRXNPFEDSA-N -1 3 336.457 2.247 10 30 EEEEHM CCC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000579968300 468444564 /nfs/dbraw/zinc/44/45/64/468444564.db2.gz QNVFUBMDPIASRQ-BDJLRTHQSA-N -1 3 333.432 2.122 10 30 EEEEHM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2ncccc2[O-])C1 ZINC000331014170 465898100 /nfs/dbraw/zinc/89/81/00/465898100.db2.gz KPVJKQYSTPITRA-AWEZNQCLSA-N -1 3 348.447 2.076 10 30 EEEEHM COC(=O)CCCc1nnc([N-]C(=O)c2cscc2C#N)s1 ZINC000340622160 466217600 /nfs/dbraw/zinc/21/76/00/466217600.db2.gz ATIRSXDALGNIPS-UHFFFAOYSA-N -1 3 336.398 2.219 10 30 EEEEHM N#CC(=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccncn1 ZINC000354473310 466592628 /nfs/dbraw/zinc/59/26/28/466592628.db2.gz VQOJVLYYSQAXKW-HOCLYGCPSA-N -1 3 336.351 2.084 10 30 EEEEHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1ccco1 ZINC000514600219 467942726 /nfs/dbraw/zinc/94/27/26/467942726.db2.gz KZNLAPKBVPPVLX-OAHLLOKOSA-N -1 3 334.397 2.153 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000594789984 468686394 /nfs/dbraw/zinc/68/63/94/468686394.db2.gz OWMZZXAABXVMRR-GHMZBOCLSA-N -1 3 344.458 2.343 10 30 EEEEHM COCC1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000570923901 468714222 /nfs/dbraw/zinc/71/42/22/468714222.db2.gz XWKVAAJFNAFVDZ-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCCO1 ZINC000601521793 468905521 /nfs/dbraw/zinc/90/55/21/468905521.db2.gz XYLOACBJVHCTAK-BXUZGUMPSA-N -1 3 326.443 2.246 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCn3nccc32)c1 ZINC000601539336 468911842 /nfs/dbraw/zinc/91/18/42/468911842.db2.gz JDZLAKODGAGLAJ-LBPRGKRZSA-N -1 3 336.804 2.222 10 30 EEEEHM COCc1ccnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000593369068 468952501 /nfs/dbraw/zinc/95/25/01/468952501.db2.gz KRDYMQYIBIJWIM-UHFFFAOYSA-N -1 3 340.383 2.388 10 30 EEEEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000593560799 469035514 /nfs/dbraw/zinc/03/55/14/469035514.db2.gz PPKJOORPEVSUBT-CYBMUJFWSA-N -1 3 342.442 2.020 10 30 EEEEHM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)CO2 ZINC000599375095 469235099 /nfs/dbraw/zinc/23/50/99/469235099.db2.gz KTGTVYZHGFTCBB-LLVKDONJSA-N -1 3 334.422 2.210 10 30 EEEEHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(=O)c([O-])co1 ZINC000736764817 578222581 /nfs/dbraw/zinc/22/25/81/578222581.db2.gz OXYNSKWACLYLHZ-UHFFFAOYSA-N -1 3 340.291 2.266 10 30 EEEEHM C#CCCCCC(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233703 692068168 /nfs/dbraw/zinc/06/81/68/692068168.db2.gz PQCVDUGDSPWQJC-CQSZACIVSA-N -1 3 330.432 2.194 10 30 EEEEHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1nccc2c1CCCC2 ZINC000905437865 1189725538 /nfs/dbraw/zinc/72/55/38/1189725538.db2.gz GSRIVOCJTUVXPY-UHFFFAOYSA-N -1 3 329.425 2.414 10 30 EEEEHM CCN(c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1)C(C)C ZINC000866108335 1201435183 /nfs/dbraw/zinc/43/51/83/1201435183.db2.gz QESAIRJTUIFIIJ-OAHLLOKOSA-N -1 3 334.420 2.423 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OC ZINC000867624212 1201646638 /nfs/dbraw/zinc/64/66/38/1201646638.db2.gz MPKBTEVAPJFXRJ-HNNXBMFYSA-N -1 3 325.430 2.231 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccnc(Cl)c2s1 ZINC000868563948 1201835950 /nfs/dbraw/zinc/83/59/50/1201835950.db2.gz YLYXXQOOLXKUDM-QMMMGPOBSA-N -1 3 325.777 2.060 10 30 EEEEHM C#CC1(F)CN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000883532272 1202083507 /nfs/dbraw/zinc/08/35/07/1202083507.db2.gz MSDGVHJNYDXURO-UHFFFAOYSA-N -1 3 327.153 2.021 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCOCC1 ZINC000885838838 1202446225 /nfs/dbraw/zinc/44/62/25/1202446225.db2.gz UINWSBSYTWJZMW-UHFFFAOYSA-N -1 3 349.239 2.239 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@@H]([C@H]3CCCCO3)C1)cc2=O ZINC001413036888 1216974421 /nfs/dbraw/zinc/97/44/21/1216974421.db2.gz UGYNVTQMDZAICJ-CZUORRHYSA-N -1 3 341.415 2.088 10 30 EEEEHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(OC)n1 ZINC000853312675 1292351610 /nfs/dbraw/zinc/35/16/10/1292351610.db2.gz CYICKXOLJNOVAH-UHFFFAOYSA-N -1 3 347.440 2.366 10 30 EEEEHM Cc1cc(CC(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1-c1ccccc1 ZINC000854648791 1292905786 /nfs/dbraw/zinc/90/57/86/1292905786.db2.gz JYIWOBBLUIVLOR-QGZVFWFLSA-N -1 3 341.411 2.133 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(=O)OC ZINC001213735324 1296152318 /nfs/dbraw/zinc/15/23/18/1296152318.db2.gz QZMIRVDBBCBDOM-BBBYJDLNSA-N -1 3 329.462 2.384 10 30 EEEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](CCF)C1 ZINC001262957139 1322405615 /nfs/dbraw/zinc/40/56/15/1322405615.db2.gz KOUBKZAWQMMFGJ-GFCCVEGCSA-N -1 3 332.383 2.203 10 30 EEEEHM C=C/C(C)=C\CC(=O)NCc1nc(CNCC(=C)Cl)cc(=O)[n-]1 ZINC001264027039 1322587680 /nfs/dbraw/zinc/58/76/80/1322587680.db2.gz SNTQZAWPCGRIOJ-WZUFQYTHSA-N -1 3 336.823 2.163 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001280190886 1324108796 /nfs/dbraw/zinc/10/87/96/1324108796.db2.gz UFESKQDQGZWWMD-KGLIPLIRSA-N -1 3 336.391 2.310 10 30 EEEEHM C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001281213092 1324882303 /nfs/dbraw/zinc/88/23/03/1324882303.db2.gz BWCWNLWWEUBLIU-GDBMZVCRSA-N -1 3 346.427 2.094 10 30 EEEEHM CC(C)C#CC(=O)N(CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001288165233 1327649782 /nfs/dbraw/zinc/64/97/82/1327649782.db2.gz XGQRBSKSBRYAFK-UHFFFAOYSA-N -1 3 330.428 2.361 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001297843066 1330008629 /nfs/dbraw/zinc/00/86/29/1330008629.db2.gz SDWKMMSATICPIO-ZDUSSCGKSA-N -1 3 348.447 2.045 10 30 EEEEHM N#Cc1cncc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001303861720 1331368360 /nfs/dbraw/zinc/36/83/60/1331368360.db2.gz OEUVSEIFLAWKQZ-UHFFFAOYSA-N -1 3 338.754 2.378 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)CCC2CCCCCC2)n1 ZINC001316715525 1331819463 /nfs/dbraw/zinc/81/94/63/1331819463.db2.gz MCGUBZAUIBBEAQ-UHFFFAOYSA-N -1 3 344.459 2.272 10 30 EEEEHM C=C(Cl)CNC/C=C/CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001321189730 1333040870 /nfs/dbraw/zinc/04/08/70/1333040870.db2.gz BKYSCIBOXQPYGA-AATRIKPKSA-N -1 3 338.839 2.242 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3sccc3C#N)c2c1=O ZINC001651095413 1354039876 /nfs/dbraw/zinc/03/98/76/1354039876.db2.gz ISIXMJJFAHMVRS-UHFFFAOYSA-N -1 3 327.369 2.238 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000816154620 783724678 /nfs/dbraw/zinc/72/46/78/783724678.db2.gz YTHOMDWWNUDQAD-ZDUSSCGKSA-N -1 3 343.326 2.246 10 30 EEEEHM CSc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(Cl)cc1Cl ZINC000816697350 784202073 /nfs/dbraw/zinc/20/20/73/784202073.db2.gz YUROOVUUTFYULR-SECBINFHSA-N -1 3 335.212 2.435 10 30 EEEEHM C=C(C)C[N-]S(=O)(=O)c1ccc(I)s1 ZINC000907137988 784407042 /nfs/dbraw/zinc/40/70/42/784407042.db2.gz SUOHHXKMGCBOTF-UHFFFAOYSA-N -1 3 343.211 2.207 10 30 EEEEHM C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908742458 785681782 /nfs/dbraw/zinc/68/17/82/785681782.db2.gz OPOWXLQBGPSZEA-CVEARBPZSA-N -1 3 333.432 2.398 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000820186295 785829992 /nfs/dbraw/zinc/82/99/92/785829992.db2.gz XIULSVXEYZBXIU-GUYCJALGSA-N -1 3 341.411 2.434 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911857047 787781748 /nfs/dbraw/zinc/78/17/48/787781748.db2.gz ZHYRZTBKSUROST-NSHDSACASA-N -1 3 332.310 2.095 10 30 EEEEHM CC(C)OCCO[N-]C(=O)Cc1ccc(Br)cc1C#N ZINC000846197358 790087848 /nfs/dbraw/zinc/08/78/48/790087848.db2.gz DDXXKANGJKOEPN-UHFFFAOYSA-N -1 3 341.205 2.336 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)c(C#N)c1 ZINC000921852745 797500794 /nfs/dbraw/zinc/50/07/94/797500794.db2.gz BKLKBYWOXZRMNW-GWCFXTLKSA-N -1 3 348.346 2.112 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OCC ZINC000916738407 797872601 /nfs/dbraw/zinc/87/26/01/797872601.db2.gz HUOQHOKQJWOSAY-OAHLLOKOSA-N -1 3 328.368 2.156 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001494499448 1104087457 /nfs/dbraw/zinc/08/74/57/1104087457.db2.gz QNRRWGCJSPHHAD-ZDXGLAPJSA-N -1 3 328.412 2.181 10 30 EEEEHM C#Cc1ccc(C(=O)NC[C@@H](C)CNC(=O)c2ccccc2[O-])cc1 ZINC001500088157 1112611939 /nfs/dbraw/zinc/61/19/39/1112611939.db2.gz FUZIUDXICPWAPI-CQSZACIVSA-N -1 3 336.391 2.169 10 30 EEEEHM C#CCN(C(=O)C(C)(C)F)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001506343829 1114554493 /nfs/dbraw/zinc/55/44/93/1114554493.db2.gz NXMVHKULVOQDID-UHFFFAOYSA-N -1 3 346.402 2.207 10 30 EEEEHM Cc1nsc([N-]C(=O)c2csc(-c3cnn(C)c3)n2)c1C#N ZINC001523958442 1119935876 /nfs/dbraw/zinc/93/58/76/1119935876.db2.gz XNGZSTYSHQGJNJ-UHFFFAOYSA-N -1 3 330.398 2.433 10 30 EEEEHM Cc1nsc([N-]C(=O)c2csc(-c3ncccn3)n2)c1C#N ZINC001539658489 1124062344 /nfs/dbraw/zinc/06/23/44/1124062344.db2.gz LMJVJECNVTWPQR-UHFFFAOYSA-N -1 3 328.382 2.489 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000129276378 223039554 /nfs/dbraw/zinc/03/95/54/223039554.db2.gz SKVCAVJHZQZQJB-UHFFFAOYSA-N -1 3 349.390 2.171 10 30 EEEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCCF ZINC000360245212 164266112 /nfs/dbraw/zinc/26/61/12/164266112.db2.gz LTQZFRWJGVTPNS-UHFFFAOYSA-N -1 3 335.198 2.349 10 30 EEEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360250492 164267908 /nfs/dbraw/zinc/26/79/08/164267908.db2.gz OVISAIXUIZNOLN-MRXNPFEDSA-N -1 3 342.436 2.304 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)c3csc(=O)[n-]3)CCOCC2)cc1 ZINC000530060456 268211315 /nfs/dbraw/zinc/21/13/15/268211315.db2.gz JXMNZSATUYHDLE-UHFFFAOYSA-N -1 3 329.381 2.156 10 30 EEEEHM N#Cc1ccc(OCCNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000354678263 465089102 /nfs/dbraw/zinc/08/91/02/465089102.db2.gz PQWQBDLYHRVQBI-UHFFFAOYSA-N -1 3 333.351 2.152 10 30 EEEEHM CC1CCN(c2ccc(CNC(=O)CN3CC(=O)[N-]C3=O)cn2)CC1 ZINC000329246219 465279287 /nfs/dbraw/zinc/27/92/87/465279287.db2.gz VPOXLPNZQZLQBX-UHFFFAOYSA-N -1 3 345.403 2.167 10 30 EEEEHM O=C(NCC#Cc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000045060963 462555036 /nfs/dbraw/zinc/55/50/36/462555036.db2.gz KHAVMFAPKGWJDL-GOSISDBHSA-N -1 3 348.402 2.165 10 30 EEEEHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000157103611 463098972 /nfs/dbraw/zinc/09/89/72/463098972.db2.gz HEVGBFHKFPTRIR-HNNXBMFYSA-N -1 3 334.372 2.363 10 30 EEEEHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F ZINC000177603218 463746945 /nfs/dbraw/zinc/74/69/45/463746945.db2.gz KUQARESFEAXZTP-UHFFFAOYSA-N -1 3 326.374 2.246 10 30 EEEEHM Cn1nnc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc21 ZINC000183450956 464866096 /nfs/dbraw/zinc/86/60/96/464866096.db2.gz HDLUHCBMFOPTPU-GFCCVEGCSA-N -1 3 330.351 2.345 10 30 EEEEHM CC(=O)c1ccc(C#N)cc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000302027858 466082887 /nfs/dbraw/zinc/08/28/87/466082887.db2.gz APDOQCGQAAMSIQ-UHFFFAOYSA-N -1 3 349.390 2.429 10 30 EEEEHM COc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c(OC)c1OC ZINC000580572613 468479717 /nfs/dbraw/zinc/47/97/17/468479717.db2.gz XIEQFXVQGUETHU-UHFFFAOYSA-N -1 3 342.417 2.394 10 30 EEEEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(CC#N)cc2)s1 ZINC000576276324 468163030 /nfs/dbraw/zinc/16/30/30/468163030.db2.gz FOICVSOIUYNDPZ-SNVBAGLBSA-N -1 3 336.442 2.093 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@H](C#N)CC(C)C)c1ccc(F)cc1 ZINC000600668359 468614832 /nfs/dbraw/zinc/61/48/32/468614832.db2.gz PCWSKTKQMGHHGW-GJZGRUSLSA-N -1 3 328.409 2.371 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790665 468686046 /nfs/dbraw/zinc/68/60/46/468686046.db2.gz WDSFONDOWJYFPQ-DGCLKSJQSA-N -1 3 325.390 2.403 10 30 EEEEHM COc1ccc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)c(OC)n1 ZINC000592382790 468687420 /nfs/dbraw/zinc/68/74/20/468687420.db2.gz USPXOLGJAUFKGH-UHFFFAOYSA-N -1 3 347.396 2.107 10 30 EEEEHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(C)o1 ZINC000594869405 468712643 /nfs/dbraw/zinc/71/26/43/468712643.db2.gz JBYZBRSYUDRUDX-UHFFFAOYSA-N -1 3 340.401 2.127 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601512645 468901911 /nfs/dbraw/zinc/90/19/11/468901911.db2.gz CJJROPOVWDNYAP-JSGCOSHPSA-N -1 3 326.443 2.246 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)c1ccc2[n-]c(OCC)nc2c1)C(=O)OC ZINC000601780801 469020713 /nfs/dbraw/zinc/02/07/13/469020713.db2.gz CVGWURKMUFTHIF-CQSZACIVSA-N -1 3 331.372 2.199 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)c1ccc2nc(OCC)[n-]c2c1)C(=O)OC ZINC000601780801 469020718 /nfs/dbraw/zinc/02/07/18/469020718.db2.gz CVGWURKMUFTHIF-CQSZACIVSA-N -1 3 331.372 2.199 10 30 EEEEHM N#CC1(C[N-]S(=O)(=O)c2cccnc2OCC(F)F)CCCC1 ZINC000599335917 469215778 /nfs/dbraw/zinc/21/57/78/469215778.db2.gz FNDYGXQYXAHSKP-UHFFFAOYSA-N -1 3 345.371 2.088 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000599361627 469227176 /nfs/dbraw/zinc/22/71/76/469227176.db2.gz VJXAPKSMXDMCEN-UHFFFAOYSA-N -1 3 328.390 2.484 10 30 EEEEHM CN(C)c1ccc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)nc1 ZINC000574518467 469274873 /nfs/dbraw/zinc/27/48/73/469274873.db2.gz JOHOYLLMBSWRTM-UHFFFAOYSA-N -1 3 330.413 2.156 10 30 EEEEHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)cs1 ZINC000616410100 469441557 /nfs/dbraw/zinc/44/15/57/469441557.db2.gz KNPQFOVDPQVXMN-UHFFFAOYSA-N -1 3 325.390 2.082 10 30 EEEEHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000751595366 577755860 /nfs/dbraw/zinc/75/58/60/577755860.db2.gz BPHSGIWPCQSKPR-LLVKDONJSA-N -1 3 343.836 2.012 10 30 EEEEHM CC#CCCCC(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888234176 692182196 /nfs/dbraw/zinc/18/21/96/692182196.db2.gz ZIGXQODNYSLHRT-AWEZNQCLSA-N -1 3 330.432 2.194 10 30 EEEEHM CCN(Cc1ccccc1)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188296 1199917418 /nfs/dbraw/zinc/91/74/18/1199917418.db2.gz ZICFEKRHDBRINX-UHFFFAOYSA-N -1 3 338.363 2.469 10 30 EEEEHM CS(=O)(=O)C1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901372240 1235626999 /nfs/dbraw/zinc/62/69/99/1235626999.db2.gz AWHPTMYQCUKVQR-UHFFFAOYSA-N -1 3 329.393 2.147 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)OC ZINC001194897507 1283351103 /nfs/dbraw/zinc/35/11/03/1283351103.db2.gz YBDVTQKETTUBHN-CYBMUJFWSA-N -1 3 333.356 2.141 10 30 EEEEHM CCOC(=O)C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccncc1 ZINC000840709661 1315401195 /nfs/dbraw/zinc/40/11/95/1315401195.db2.gz KWRVSPADLKVYJQ-LIQPLZLLSA-N -1 3 343.383 2.096 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001285688116 1327109527 /nfs/dbraw/zinc/10/95/27/1327109527.db2.gz WKAJGXLDCLFYFB-STQMWFEESA-N -1 3 343.431 2.137 10 30 EEEEHM C=C[C@@H](CC)CC(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288217257 1327672931 /nfs/dbraw/zinc/67/29/31/1327672931.db2.gz SSMDBXZHCONWDE-JSGCOSHPSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNCc2ccsc2)cc(=O)[n-]1 ZINC001316714371 1331818163 /nfs/dbraw/zinc/81/81/63/1331818163.db2.gz AYVXIFBILUHHLV-UHFFFAOYSA-N -1 3 332.429 2.116 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001334297508 1336235642 /nfs/dbraw/zinc/23/56/42/1336235642.db2.gz XZIQIAKUZNCTQV-KZULUSFZSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CCCn1cc(COC(=O)c2ccc(NC(=O)OC)c([O-])c2)nn1 ZINC000848724612 1338748674 /nfs/dbraw/zinc/74/86/74/1338748674.db2.gz BKZVOIGYURAXTK-UHFFFAOYSA-N -1 3 346.343 2.095 10 30 EEEEHM CC(C)(C)C#CC(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358811748 1339103151 /nfs/dbraw/zinc/10/31/51/1339103151.db2.gz LJEPNVCGWPZMAR-HXUWFJFHSA-N -1 3 342.439 2.410 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1 ZINC001611657972 1352303268 /nfs/dbraw/zinc/30/32/68/1352303268.db2.gz PAYMHXODZVWKOI-HNNXBMFYSA-N -1 3 333.388 2.202 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001556750874 1342434283 /nfs/dbraw/zinc/43/42/83/1342434283.db2.gz YQENQKWPCCWWOF-CQSZACIVSA-N -1 3 347.758 2.247 10 30 EEEEHM O=S1(=O)[N-]/C(=N/C[C@@H]2CCN2C2CCCCC2)c2ccccc21 ZINC001647323155 1353231087 /nfs/dbraw/zinc/23/10/87/1353231087.db2.gz IVUKOMXEIHXEQL-AWEZNQCLSA-N -1 3 333.457 2.132 10 30 EEEEHM C#CCCCC(=O)N1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001681820620 1358078177 /nfs/dbraw/zinc/07/81/77/1358078177.db2.gz LKOQXBIVDSBPPU-UHFFFAOYSA-N -1 3 340.423 2.474 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](CNC(=O)c1c(C)nc[n-]c1=O)C(C)(C)C ZINC001681032212 1357944671 /nfs/dbraw/zinc/94/46/71/1357944671.db2.gz PPZSJHFMOSWHNL-ZDUSSCGKSA-N -1 3 348.447 2.108 10 30 EEEEHM C=CCCCC(=O)N[C@H]1CCCCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001685143372 1358310135 /nfs/dbraw/zinc/31/01/35/1358310135.db2.gz UXWHDIBUXJWEIA-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM Cc1cc(CO)cc(C)c1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000921398543 773335412 /nfs/dbraw/zinc/33/54/12/773335412.db2.gz PKXYWWAXTJNULY-UHFFFAOYSA-N -1 3 336.438 2.207 10 30 EEEEHM C=C(Cl)CN1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C(C)(C)C1 ZINC000940975567 779603161 /nfs/dbraw/zinc/60/31/61/779603161.db2.gz LLSWHWISPHRJCY-LBPRGKRZSA-N -1 3 338.839 2.073 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000820138014 785804880 /nfs/dbraw/zinc/80/48/80/785804880.db2.gz VGZLAJRBBXDWLE-SBMIAAHKSA-N -1 3 329.183 2.203 10 30 EEEEHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)c1cc2c(s1)CCCC2 ZINC000921679157 793989011 /nfs/dbraw/zinc/98/90/11/793989011.db2.gz PMHKKZCEWGUJTA-UHFFFAOYSA-N -1 3 340.470 2.279 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000922047488 798752144 /nfs/dbraw/zinc/75/21/44/798752144.db2.gz TUHVPXLUMVHQTP-UHFFFAOYSA-N -1 3 328.777 2.473 10 30 EEEEHM Cc1cn2nc(C(=O)N([O-])Cc3ccccc3Cl)cc2c(=O)[nH]1 ZINC001184293159 801976997 /nfs/dbraw/zinc/97/69/97/801976997.db2.gz HJLXOGIIUSIEKD-UHFFFAOYSA-N -1 3 332.747 2.016 10 30 EEEEHM C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379611073 802801682 /nfs/dbraw/zinc/80/16/82/802801682.db2.gz QRVHHAIQMSLVPG-KRWDZBQOSA-N -1 3 345.443 2.323 10 30 EEEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793121896 810137815 /nfs/dbraw/zinc/13/78/15/810137815.db2.gz NCZLVOLZFQQWCM-OAHLLOKOSA-N -1 3 345.362 2.357 10 30 EEEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001464633395 1110399260 /nfs/dbraw/zinc/39/92/60/1110399260.db2.gz VIKCGLCRXADDJZ-UHFFFAOYSA-N -1 3 338.411 2.171 10 30 EEEEHM CC(C)C[C@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC1CC1 ZINC001500467222 1112854628 /nfs/dbraw/zinc/85/46/28/1112854628.db2.gz BSEOKZVAKUMTCD-OAHLLOKOSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCCC1(C(=O)N2CC[C@@H]2CNC(=O)c2ccccc2[O-])CC1 ZINC001505612073 1114084234 /nfs/dbraw/zinc/08/42/34/1114084234.db2.gz JMZVUSQPMVQBPQ-CQSZACIVSA-N -1 3 328.412 2.469 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001510034152 1115961002 /nfs/dbraw/zinc/96/10/02/1115961002.db2.gz YLRUYELPWPHDTH-ZDUSSCGKSA-N -1 3 343.431 2.329 10 30 EEEEHM Cc1oc(C(=O)[N-]c2cnc(Cl)cc2C#N)cc1S(C)(=O)=O ZINC001543490915 1124130686 /nfs/dbraw/zinc/13/06/86/1124130686.db2.gz QNUWHCRXUQFTEK-UHFFFAOYSA-N -1 3 339.760 2.164 10 30 EEEEHM O=C(CCCc1cc(Cl)sc1Cl)N[C@H]1CCN([O-])C1=O ZINC000816691862 784200384 /nfs/dbraw/zinc/20/03/84/784200384.db2.gz AYDXEALWLPKDOG-QMMMGPOBSA-N -1 3 337.228 2.484 10 30 EEEEHM CC(C)(CC#N)CS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000451132314 243011238 /nfs/dbraw/zinc/01/12/38/243011238.db2.gz VVQHQRULQKNLOR-UHFFFAOYSA-N -1 3 334.401 2.096 10 30 EEEEHM COc1nnc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[n-]1 ZINC000352635811 162221369 /nfs/dbraw/zinc/22/13/69/162221369.db2.gz DPJOHLGMEPADTJ-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM COc1n[n-]c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1 ZINC000352635811 162221371 /nfs/dbraw/zinc/22/13/71/162221371.db2.gz DPJOHLGMEPADTJ-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM COc1nc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n[n-]1 ZINC000352635811 162221373 /nfs/dbraw/zinc/22/13/73/162221373.db2.gz DPJOHLGMEPADTJ-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360250491 164267597 /nfs/dbraw/zinc/26/75/97/164267597.db2.gz OVISAIXUIZNOLN-INIZCTEOSA-N -1 3 342.436 2.304 10 30 EEEEHM Cc1ncc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)s1 ZINC000161169790 311362778 /nfs/dbraw/zinc/36/27/78/311362778.db2.gz JMDFLZZQLXSLDY-UHFFFAOYSA-N -1 3 325.390 2.082 10 30 EEEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000561124245 318824895 /nfs/dbraw/zinc/82/48/95/318824895.db2.gz IYTLARBFURKSJQ-NWDGAFQWSA-N -1 3 341.230 2.398 10 30 EEEEHM N#C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCN1C1CC1 ZINC000371326019 465714336 /nfs/dbraw/zinc/71/43/36/465714336.db2.gz HPFMNXVKUILZAB-AWEZNQCLSA-N -1 3 336.233 2.327 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)CCC1 ZINC000354114954 466343671 /nfs/dbraw/zinc/34/36/71/466343671.db2.gz OIYPJJYNDXCVPL-UHFFFAOYSA-N -1 3 331.397 2.455 10 30 EEEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000305195355 466374830 /nfs/dbraw/zinc/37/48/30/466374830.db2.gz IHTUKXWQJVBBOW-OAHLLOKOSA-N -1 3 328.409 2.163 10 30 EEEEHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000338802434 466388846 /nfs/dbraw/zinc/38/88/46/466388846.db2.gz XQKBPGHHWYEGHB-GFCCVEGCSA-N -1 3 339.399 2.343 10 30 EEEEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435448689 467470841 /nfs/dbraw/zinc/47/08/41/467470841.db2.gz ZFZBHPGWGJIGKA-CQSZACIVSA-N -1 3 328.459 2.229 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 ZINC000590542223 468269025 /nfs/dbraw/zinc/26/90/25/468269025.db2.gz AZUICUKYEXUVNG-UHFFFAOYSA-N -1 3 345.305 2.430 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000597730108 468653408 /nfs/dbraw/zinc/65/34/08/468653408.db2.gz XKLKBNZJRKNQRV-INIZCTEOSA-N -1 3 339.399 2.295 10 30 EEEEHM CCOC(=O)C(CC)(CC)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000601497300 468893820 /nfs/dbraw/zinc/89/38/20/468893820.db2.gz QVGTVRHSIBHGOS-UHFFFAOYSA-N -1 3 344.458 2.268 10 30 EEEEHM N#CCc1ccc(CS(=O)(=O)[N-]Cc2nnc(C3CC3)s2)cc1 ZINC000584836987 468945858 /nfs/dbraw/zinc/94/58/58/468945858.db2.gz RXLKKRHMMCNTHA-UHFFFAOYSA-N -1 3 348.453 2.101 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000599444893 469260210 /nfs/dbraw/zinc/26/02/10/469260210.db2.gz GXVYUSRRIQBOEN-LBPRGKRZSA-N -1 3 335.385 2.491 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000679474575 485707236 /nfs/dbraw/zinc/70/72/36/485707236.db2.gz DKZYJUQCHDYLLG-UHFFFAOYSA-N -1 3 340.228 2.483 10 30 EEEEHM COC1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCCC1 ZINC000451605612 536682598 /nfs/dbraw/zinc/68/25/98/536682598.db2.gz GWTKDXPROPWFJU-UHFFFAOYSA-N -1 3 326.393 2.076 10 30 EEEEHM N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)cc1Cl ZINC000081674831 538137557 /nfs/dbraw/zinc/13/75/57/538137557.db2.gz UDKCNYYSKUXJSB-UHFFFAOYSA-N -1 3 344.179 2.354 10 30 EEEEHM COC(=O)[C@H](OC(=O)c1ccc([O-])c(OC)c1)c1ccc(C#N)cc1 ZINC000757096300 577856587 /nfs/dbraw/zinc/85/65/87/577856587.db2.gz SGHMIXNWWARXHP-MRXNPFEDSA-N -1 3 341.319 2.344 10 30 EEEEHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744034690 577892404 /nfs/dbraw/zinc/89/24/04/577892404.db2.gz FAYFBALQXPVFMU-WSVPDTOYSA-N -1 3 325.368 2.002 10 30 EEEEHM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000880656757 1201552978 /nfs/dbraw/zinc/55/29/78/1201552978.db2.gz ZYJNMHHGAFSGMT-OAHLLOKOSA-N -1 3 337.379 2.320 10 30 EEEEHM N#Cc1cccc(NC2CN(C(=O)Cc3ccc([O-])c(F)c3)C2)c1 ZINC001413336637 1235617599 /nfs/dbraw/zinc/61/75/99/1235617599.db2.gz ZAYBVAUYGJACBH-UHFFFAOYSA-N -1 3 325.343 2.268 10 30 EEEEHM C=CCN(C)CCN(CC)C(=O)c1ncc(Br)cc1[O-] ZINC001139874383 1314782299 /nfs/dbraw/zinc/78/22/99/1314782299.db2.gz WVVNFOPGNHMKHR-UHFFFAOYSA-N -1 3 342.237 2.130 10 30 EEEEHM C=CCC1(C(=O)NCCCNC(=O)c2ccccc2[O-])CCOCC1 ZINC001293151887 1328620122 /nfs/dbraw/zinc/62/01/22/1328620122.db2.gz JPVBUHKJYZJFPU-UHFFFAOYSA-N -1 3 346.427 2.001 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001262990835 1322417739 /nfs/dbraw/zinc/41/77/39/1322417739.db2.gz PQBSXBFSXGVYIW-LBPRGKRZSA-N -1 3 341.753 2.138 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001262990835 1322417741 /nfs/dbraw/zinc/41/77/41/1322417741.db2.gz PQBSXBFSXGVYIW-LBPRGKRZSA-N -1 3 341.753 2.138 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CC(C)C)C1 ZINC001263409257 1322476812 /nfs/dbraw/zinc/47/68/12/1322476812.db2.gz LCFMRTHRMOYWPK-AWEZNQCLSA-N -1 3 340.431 2.336 10 30 EEEEHM C=CCC1(C(=O)N2CCCCC[C@@H](NC(=O)c3cn[n-]n3)C2)CCC1 ZINC001282319429 1325690855 /nfs/dbraw/zinc/69/08/55/1325690855.db2.gz UIAMNZLNIRAJGP-CQSZACIVSA-N -1 3 345.447 2.052 10 30 EEEEHM CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001283980197 1326348689 /nfs/dbraw/zinc/34/86/89/1326348689.db2.gz LSBKSLBCWPASHO-GASCZTMLSA-N -1 3 340.423 2.257 10 30 EEEEHM C=C[C@@H](CC)CC(=O)NC[C@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC001285265431 1326933636 /nfs/dbraw/zinc/93/36/36/1326933636.db2.gz MCIPEZWWYZBYEZ-ZFWWWQNUSA-N -1 3 347.463 2.202 10 30 EEEEHM C=CCO[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287345207 1327480635 /nfs/dbraw/zinc/48/06/35/1327480635.db2.gz YYCAFGFJBIBQJI-AWEZNQCLSA-N -1 3 346.427 2.046 10 30 EEEEHM C=CCC(C)(C)C(=O)NCc1nc(CNC(=O)[C@H](C)CC)cc(=O)[n-]1 ZINC001290363891 1328181504 /nfs/dbraw/zinc/18/15/04/1328181504.db2.gz ADUZCZDYUWVYAU-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=C[C@H](CC)CC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001290752867 1328258704 /nfs/dbraw/zinc/25/87/04/1328258704.db2.gz AJYMOCCHPYHGFH-ZIAGYGMSSA-N -1 3 347.463 2.154 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001338897313 1336928679 /nfs/dbraw/zinc/92/86/79/1336928679.db2.gz XSDRQAIAFCAEKO-FZKQIMNGSA-N -1 3 348.447 2.045 10 30 EEEEHM C#CCCCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001350583362 1337726475 /nfs/dbraw/zinc/72/64/75/1337726475.db2.gz MJWRNYMSAONBTC-OAHLLOKOSA-N -1 3 328.412 2.307 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001581217730 1344600647 /nfs/dbraw/zinc/60/06/47/1344600647.db2.gz JWRVBAWKRLUGBF-CABCVRRESA-N -1 3 346.427 2.094 10 30 EEEEHM C#CCNC(=O)c1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001584108219 1348721327 /nfs/dbraw/zinc/72/13/27/1348721327.db2.gz BBFDZGMPYQSYBB-UHFFFAOYSA-N -1 3 326.327 2.076 10 30 EEEEHM CCCCN([O-])C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2 ZINC001654821519 1354158897 /nfs/dbraw/zinc/15/88/97/1354158897.db2.gz GFHUZIGHJHDXBZ-SUMWQHHRSA-N -1 3 342.436 2.278 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001685166487 1358311803 /nfs/dbraw/zinc/31/18/03/1358311803.db2.gz ATWGQLIVPMBNEV-FMKPAKJESA-N -1 3 346.427 2.093 10 30 EEEEHM C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001685431794 1358324097 /nfs/dbraw/zinc/32/40/97/1358324097.db2.gz TZHHTCKURPUTER-ZDUSSCGKSA-N -1 3 347.463 2.154 10 30 EEEEHM CC[C@@H](C(=O)N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816696042 784202244 /nfs/dbraw/zinc/20/22/44/784202244.db2.gz QDCVQUOMEOEAIA-NEPJUHHUSA-N -1 3 330.306 2.305 10 30 EEEEHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820185682 785828495 /nfs/dbraw/zinc/82/84/95/785828495.db2.gz PWJMEFLMYHEBEW-UFBFGSQYSA-N -1 3 331.199 2.278 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC#N)C(F)(F)F ZINC001439452286 1092224410 /nfs/dbraw/zinc/22/44/10/1092224410.db2.gz JSSANPBCTCYHNM-LBPRGKRZSA-N -1 3 340.305 2.169 10 30 EEEEHM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494369798 1103950556 /nfs/dbraw/zinc/95/05/56/1103950556.db2.gz YOXSUBNMLZHPFB-GDBMZVCRSA-N -1 3 340.423 2.163 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001450158643 1105251398 /nfs/dbraw/zinc/25/13/98/1105251398.db2.gz PYFTYQNOSADBDR-HNNXBMFYSA-N -1 3 334.391 2.425 10 30 EEEEHM C=CCCC(=O)NC[C@@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001493087579 1107470012 /nfs/dbraw/zinc/47/00/12/1107470012.db2.gz XMWYKEVRJARBQE-HNNXBMFYSA-N -1 3 330.432 2.106 10 30 EEEEHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2c([O-])cccc2OC)c1 ZINC001464309661 1110391471 /nfs/dbraw/zinc/39/14/71/1110391471.db2.gz GKMXRFPKCDTCCZ-UHFFFAOYSA-N -1 3 338.363 2.093 10 30 EEEEHM CCc1ccc(C#CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001468757141 1110479817 /nfs/dbraw/zinc/47/98/17/1110479817.db2.gz ZEUJILNQEHEBRQ-UHFFFAOYSA-N -1 3 331.379 2.343 10 30 EEEEHM CCc1ccc(C#CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001468757141 1110479818 /nfs/dbraw/zinc/47/98/18/1110479818.db2.gz ZEUJILNQEHEBRQ-UHFFFAOYSA-N -1 3 331.379 2.343 10 30 EEEEHM CC(=O)c1cn(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1 ZINC001472617801 1110560789 /nfs/dbraw/zinc/56/07/89/1110560789.db2.gz QNRDBUSEMWGKSI-UHFFFAOYSA-N -1 3 343.170 2.206 10 30 EEEEHM C=CCC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)CC)n1 ZINC001519536881 1119084701 /nfs/dbraw/zinc/08/47/01/1119084701.db2.gz QJRYGZZRQSUUKH-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCC1(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001524639279 1120209705 /nfs/dbraw/zinc/20/97/05/1120209705.db2.gz FOLDRKFNOFUFER-AWEZNQCLSA-N -1 3 328.412 2.469 10 30 EEEEHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCCO)cc1Cl ZINC000052299987 214125597 /nfs/dbraw/zinc/12/55/97/214125597.db2.gz QKTFZBCZTCIVJE-RNCFNFMXSA-N -1 3 348.251 2.414 10 30 EEEEHM O=C([O-])CC1S/C(=N/C(=O)c2ccco2)N(c2ccccc2)C1=O ZINC000015905906 304087401 /nfs/dbraw/zinc/08/74/01/304087401.db2.gz QZLIYIRNKHHIQU-QIVXWBPLSA-N -1 3 344.348 2.399 10 30 EEEEHM CCOC([O-])=NC(=O)C(=CNc1cc(Cl)ccc1O)C(C)=O ZINC000106107069 204186389 /nfs/dbraw/zinc/18/63/89/204186389.db2.gz CZYBENZKUCIDDT-JXMROGBWSA-N -1 3 326.736 2.203 10 30 EEEEHM CCOC(=O)[N-]C(=O)C(=CNc1cc(Cl)ccc1O)C(C)=O ZINC000106107069 204186393 /nfs/dbraw/zinc/18/63/93/204186393.db2.gz CZYBENZKUCIDDT-JXMROGBWSA-N -1 3 326.736 2.203 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nccs1 ZINC000185674050 160045033 /nfs/dbraw/zinc/04/50/33/160045033.db2.gz HJTKXBSVTARHCO-LLVKDONJSA-N -1 3 337.426 2.453 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)s1 ZINC000435441669 268257666 /nfs/dbraw/zinc/25/76/66/268257666.db2.gz GXKKNNALAPEQSQ-UHFFFAOYSA-N -1 3 344.421 2.284 10 30 EEEEHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccccc1C#N ZINC000003534604 462622925 /nfs/dbraw/zinc/62/29/25/462622925.db2.gz GZMYSKZFJVCJSF-SNVBAGLBSA-N -1 3 331.401 2.385 10 30 EEEEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000089783517 462718847 /nfs/dbraw/zinc/71/88/47/462718847.db2.gz MTIYVFGJCXQZLT-JTQLQIEISA-N -1 3 344.820 2.222 10 30 EEEEHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177996366 463826092 /nfs/dbraw/zinc/82/60/92/463826092.db2.gz WSWFZMGTJCZIGV-CYBMUJFWSA-N -1 3 343.880 2.466 10 30 EEEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000295862643 464989824 /nfs/dbraw/zinc/98/98/24/464989824.db2.gz YBNHHPDCQNQUIV-UWVGGRQHSA-N -1 3 327.337 2.095 10 30 EEEEHM N#CCCCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000593985129 468451611 /nfs/dbraw/zinc/45/16/11/468451611.db2.gz MNFUZCGZUGUOBW-UHFFFAOYSA-N -1 3 339.392 2.289 10 30 EEEEHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C)nc(C)c2C#N)s1 ZINC000301764242 466027535 /nfs/dbraw/zinc/02/75/35/466027535.db2.gz GTPVFWDKXGIUNB-UHFFFAOYSA-N -1 3 336.442 2.152 10 30 EEEEHM O=C(NC[C@H]1CCCCN1CCO)c1cc(F)c([O-])c(Cl)c1 ZINC000331344485 466040945 /nfs/dbraw/zinc/04/09/45/466040945.db2.gz UVAJITNWLCEDSR-LLVKDONJSA-N -1 3 330.787 2.336 10 30 EEEEHM CC(=O)c1ccc(C#N)cc1NCC[N-]S(=O)(=O)c1cccs1 ZINC000302152782 466105932 /nfs/dbraw/zinc/10/59/32/466105932.db2.gz UVMVHYJRTLVCON-UHFFFAOYSA-N -1 3 349.437 2.213 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CCCOC1 ZINC000600172664 468483110 /nfs/dbraw/zinc/48/31/10/468483110.db2.gz LRYVOTPWYVVDMJ-CQSZACIVSA-N -1 3 331.416 2.141 10 30 EEEEHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427801580 467179012 /nfs/dbraw/zinc/17/90/12/467179012.db2.gz UZCKEHZGURWNDH-UHFFFAOYSA-N -1 3 344.440 2.433 10 30 EEEEHM Cc1nc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)cn1C ZINC000431621655 467529454 /nfs/dbraw/zinc/52/94/54/467529454.db2.gz MJSKJYZNLSIQOA-OAHLLOKOSA-N -1 3 332.429 2.442 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000528545707 467699367 /nfs/dbraw/zinc/69/93/67/467699367.db2.gz DCBDQRNCRIGDCQ-QOBXEIRBSA-N -1 3 328.821 2.302 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000598066599 468756166 /nfs/dbraw/zinc/75/61/66/468756166.db2.gz FFIHZYAVNUVEOE-KDURUIRLSA-N -1 3 343.427 2.093 10 30 EEEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000595353003 468822805 /nfs/dbraw/zinc/82/28/05/468822805.db2.gz HGACJBLYUHTNGY-CVEARBPZSA-N -1 3 334.397 2.188 10 30 EEEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3cccc(C#N)c3)cn21 ZINC000571864018 468849598 /nfs/dbraw/zinc/84/95/98/468849598.db2.gz DHVASBWGVYDWQA-LBPRGKRZSA-N -1 3 330.413 2.131 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000593574213 469041925 /nfs/dbraw/zinc/04/19/25/469041925.db2.gz MYRSDQGLFPQHNF-UHFFFAOYSA-N -1 3 328.459 2.231 10 30 EEEEHM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)CO2 ZINC000599374092 469233932 /nfs/dbraw/zinc/23/39/32/469233932.db2.gz GZNAEKRXFWNUJF-AWEZNQCLSA-N -1 3 334.441 2.302 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000625327682 470119978 /nfs/dbraw/zinc/11/99/78/470119978.db2.gz KDMJJXJCVDYNFT-UHFFFAOYSA-N -1 3 330.475 2.265 10 30 EEEEHM Cc1ncc(CO)c(CN=NC(=S)Nc2ccc(F)cc2)c1[O-] ZINC000008692936 527282031 /nfs/dbraw/zinc/28/20/31/527282031.db2.gz AHZAJUMYTRKYHO-CNHKJKLMSA-N -1 3 334.376 2.459 10 30 EEEEHM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000451699297 536463592 /nfs/dbraw/zinc/46/35/92/536463592.db2.gz UUVHEDCWPHAXCC-NEPJUHHUSA-N -1 3 342.442 2.020 10 30 EEEEHM C=CCOC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000727039403 576390726 /nfs/dbraw/zinc/39/07/26/576390726.db2.gz FRHQIIFJADASTK-UHFFFAOYSA-N -1 3 327.383 2.162 10 30 EEEEHM COc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1C#N ZINC000746926118 577936253 /nfs/dbraw/zinc/93/62/53/577936253.db2.gz LNHULHRQANZFFZ-UHFFFAOYSA-N -1 3 334.335 2.146 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000904205337 694328157 /nfs/dbraw/zinc/32/81/57/694328157.db2.gz IIUFRTSJNNFLDE-LBPRGKRZSA-N -1 3 325.409 2.038 10 30 EEEEHM CCCCCCN([O-])C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000904205838 694328440 /nfs/dbraw/zinc/32/84/40/694328440.db2.gz VFUDEJNQFRPEKO-UHFFFAOYSA-N -1 3 325.409 2.039 10 30 EEEEHM C=CCCN(C)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897602661 691671959 /nfs/dbraw/zinc/67/19/59/691671959.db2.gz UGGDHJQSXDESCV-CYBMUJFWSA-N -1 3 333.436 2.102 10 30 EEEEHM N#C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CCN1C1CC1 ZINC000786958482 691824082 /nfs/dbraw/zinc/82/40/82/691824082.db2.gz HYGFQNZDGTUJPT-OAHLLOKOSA-N -1 3 331.391 2.053 10 30 EEEEHM C=CCCC(=O)N[C@]1(C)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001484033655 1191166854 /nfs/dbraw/zinc/16/68/54/1191166854.db2.gz DKTIBEMQNITMIZ-GOSISDBHSA-N -1 3 330.432 2.106 10 30 EEEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000872546473 1198235686 /nfs/dbraw/zinc/23/56/86/1198235686.db2.gz ZZQBYYXPAURKPG-UHFFFAOYSA-N -1 3 332.447 2.200 10 30 EEEEHM Cc1nc(C)c(CC(=O)NC(C)(C)Cc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000928701146 1206413280 /nfs/dbraw/zinc/41/32/80/1206413280.db2.gz RCQZLPLEWICZDE-UHFFFAOYSA-N -1 3 338.411 2.351 10 30 EEEEHM C=CC[C@H]1CCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000934465466 1207968133 /nfs/dbraw/zinc/96/81/33/1207968133.db2.gz CZKONVBRQQOANI-JTQLQIEISA-N -1 3 333.413 2.230 10 30 EEEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867304339 1285545056 /nfs/dbraw/zinc/54/50/56/1285545056.db2.gz NFIMJNPRORBIII-UHFFFAOYSA-N -1 3 336.255 2.063 10 30 EEEEHM Cc1cc([O-])c(CN(CCC#N)CCN2CCOCC2)c(Cl)c1 ZINC000840908653 1315432903 /nfs/dbraw/zinc/43/29/03/1315432903.db2.gz WBCWLZSTVJVRCR-UHFFFAOYSA-N -1 3 337.851 2.402 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2ccccc2C1 ZINC001262990951 1322417817 /nfs/dbraw/zinc/41/78/17/1322417817.db2.gz UODHCYTVMOUQLN-UHFFFAOYSA-N -1 3 341.806 2.465 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2ccccc2C1 ZINC001262990951 1322417821 /nfs/dbraw/zinc/41/78/21/1322417821.db2.gz UODHCYTVMOUQLN-UHFFFAOYSA-N -1 3 341.806 2.465 10 30 EEEEHM C=C1CC(C)(C(=O)N[C@@H](C)C2CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001286211579 1327341977 /nfs/dbraw/zinc/34/19/77/1327341977.db2.gz GZQGEPQYFKIKMZ-ZDUSSCGKSA-N -1 3 328.412 2.325 10 30 EEEEHM C=CCOCC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001290738410 1328251120 /nfs/dbraw/zinc/25/11/20/1328251120.db2.gz LPVBVSATXVJUIK-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM CC#CCCCC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001297998032 1330027052 /nfs/dbraw/zinc/02/70/52/1330027052.db2.gz KLXHGFLZXITVBP-MRXNPFEDSA-N -1 3 330.428 2.456 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001298426973 1330076820 /nfs/dbraw/zinc/07/68/20/1330076820.db2.gz RODYXHOSQXHBLB-AWEZNQCLSA-N -1 3 348.305 2.477 10 30 EEEEHM C=C(C)CCC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001318255161 1332497563 /nfs/dbraw/zinc/49/75/63/1332497563.db2.gz OQKCKFOJWXLRGV-AWEZNQCLSA-N -1 3 330.432 2.106 10 30 EEEEHM C=CCO[C@H]1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC001320056548 1332816964 /nfs/dbraw/zinc/81/69/64/1332816964.db2.gz CXDWZMGPPYQZSX-AWEZNQCLSA-N -1 3 329.400 2.012 10 30 EEEEHM C=CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OCC ZINC001328749034 1334513901 /nfs/dbraw/zinc/51/39/01/1334513901.db2.gz NBIFMHZNZSMXLJ-JTQLQIEISA-N -1 3 333.356 2.059 10 30 EEEEHM C#C[C@@H]1CCCCN1c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1C ZINC001355357333 1338709972 /nfs/dbraw/zinc/70/99/72/1338709972.db2.gz DYMHPFXTNKZQGK-CQSZACIVSA-N -1 3 348.410 2.366 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N(CCC)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001356522787 1338828758 /nfs/dbraw/zinc/82/87/58/1338828758.db2.gz IHMUGTXFOLLBRX-CYBMUJFWSA-N -1 3 348.447 2.061 10 30 EEEEHM COC(=O)c1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001611650716 1352303144 /nfs/dbraw/zinc/30/31/44/1352303144.db2.gz HXNCVJQJHUPYFM-UHFFFAOYSA-N -1 3 334.759 2.482 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC001573222539 1343621731 /nfs/dbraw/zinc/62/17/31/1343621731.db2.gz ULCVVQYWLUNDKB-CVEARBPZSA-N -1 3 342.439 2.409 10 30 EEEEHM C=CCCC(=O)N(CCCNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001577746667 1344190867 /nfs/dbraw/zinc/19/08/67/1344190867.db2.gz HORFYOMUFJQDEG-UHFFFAOYSA-N -1 3 341.415 2.035 10 30 EEEEHM C=C(C)[C@H](CC(=O)NC[C@H](C)N(C)C(=O)c1ccccc1[O-])OCC ZINC001678195854 1357481691 /nfs/dbraw/zinc/48/16/91/1357481691.db2.gz DJFWCXBHIIOBLL-YOEHRIQHSA-N -1 3 348.443 2.340 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OC ZINC001656974109 1354306130 /nfs/dbraw/zinc/30/61/30/1354306130.db2.gz VOIJPZQCGRZVSU-CYBMUJFWSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCC1(C(=O)N[C@H]2CC[C@H](CNCc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001672979424 1356626320 /nfs/dbraw/zinc/62/63/20/1356626320.db2.gz YQYJKHWEJTVIHU-HDJSIYSDSA-N -1 3 347.463 2.021 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000816691851 784200778 /nfs/dbraw/zinc/20/07/78/784200778.db2.gz AMAGNXPLQSZYGY-CYBMUJFWSA-N -1 3 328.393 2.234 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000816694940 784200835 /nfs/dbraw/zinc/20/08/35/784200835.db2.gz RHGIRZDFKMZUOC-CYBMUJFWSA-N -1 3 338.791 2.381 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ncoc1-c1ccccc1Cl ZINC000816760033 784247012 /nfs/dbraw/zinc/24/70/12/784247012.db2.gz ZZRWNIURNTYWDN-NSHDSACASA-N -1 3 335.747 2.105 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1occc1CSc1ccccc1 ZINC000820175220 785821510 /nfs/dbraw/zinc/82/15/10/785821510.db2.gz VGPHQWKPVGJCRS-ZDUSSCGKSA-N -1 3 332.381 2.292 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H](CC)CC2CCCC2)n1 ZINC001565991428 1125486330 /nfs/dbraw/zinc/48/63/30/1125486330.db2.gz HEBVPIGCSFQKIY-OAHLLOKOSA-N -1 3 344.459 2.128 10 30 EEEEHM N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001454877450 1107840187 /nfs/dbraw/zinc/84/01/87/1107840187.db2.gz PCWWJKGVOAPNDU-UHFFFAOYSA-N -1 3 341.342 2.071 10 30 EEEEHM Cc1cc2n[n-]c(NC(=O)c3[nH]c4ccccc4c3C#N)c2c(=O)n1C ZINC001469293866 1110488746 /nfs/dbraw/zinc/48/87/46/1110488746.db2.gz PHHRDECFXNBSMY-UHFFFAOYSA-N -1 3 346.350 2.175 10 30 EEEEHM C=CCCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001509771305 1115901466 /nfs/dbraw/zinc/90/14/66/1115901466.db2.gz MDKJXOBFIORNJF-UONOGXRCSA-N -1 3 346.431 2.004 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N(CC)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001523930586 1119927132 /nfs/dbraw/zinc/92/71/32/1119927132.db2.gz YZYIAIVUQOUMJZ-ZDUSSCGKSA-N -1 3 348.447 2.061 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000275818101 201288316 /nfs/dbraw/zinc/28/83/16/201288316.db2.gz RQUOJBKGUIJFLB-SECBINFHSA-N -1 3 327.299 2.060 10 30 EEEEHM CC(C)N1C[C@H](C)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248507105 160348844 /nfs/dbraw/zinc/34/88/44/160348844.db2.gz YGDXEBUOJGSBCW-SMDDNHRTSA-N -1 3 341.864 2.219 10 30 EEEEHM C[C@H](C/N=C/c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000120536905 463010036 /nfs/dbraw/zinc/01/00/36/463010036.db2.gz KSDRXRDHILWROX-HPUUJOOBSA-N -1 3 327.222 2.294 10 30 EEEEHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccc(F)cn2)NC1=O ZINC000080436330 463318061 /nfs/dbraw/zinc/31/80/61/463318061.db2.gz FBNBTRYCMNSSQR-BXKDBHETSA-N -1 3 325.299 2.430 10 30 EEEEHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccc(F)cn2)NC1=O ZINC000080436319 463318465 /nfs/dbraw/zinc/31/84/65/463318465.db2.gz FBNBTRYCMNSSQR-SKDRFNHKSA-N -1 3 325.299 2.430 10 30 EEEEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000171425625 463861259 /nfs/dbraw/zinc/86/12/59/463861259.db2.gz NHUNCZGOAQDZKZ-MRXNPFEDSA-N -1 3 334.372 2.363 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000269400580 463978106 /nfs/dbraw/zinc/97/81/06/463978106.db2.gz ZAMLVDWHBNSFIZ-FVOVHSBVSA-N -1 3 336.457 2.452 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000353131213 465662201 /nfs/dbraw/zinc/66/22/01/465662201.db2.gz QOZMDRZKBURXSC-CQSZACIVSA-N -1 3 345.848 2.310 10 30 EEEEHM CO[C@H](CC[N-]S(=O)(=O)c1cccc(C)c1C#N)C(F)(F)F ZINC000345334924 465857461 /nfs/dbraw/zinc/85/74/61/465857461.db2.gz FWRGSXISLUMBNU-GFCCVEGCSA-N -1 3 336.335 2.112 10 30 EEEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000345592857 465882273 /nfs/dbraw/zinc/88/22/73/465882273.db2.gz WTHBDHIPVBDCMX-SNVBAGLBSA-N -1 3 347.234 2.284 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)s1 ZINC000367202104 466188925 /nfs/dbraw/zinc/18/89/25/466188925.db2.gz XVALAQDLZOMFTF-UHFFFAOYSA-N -1 3 344.421 2.284 10 30 EEEEHM Cc1nc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)cn1C ZINC000431621654 467529510 /nfs/dbraw/zinc/52/95/10/467529510.db2.gz MJSKJYZNLSIQOA-HNNXBMFYSA-N -1 3 332.429 2.442 10 30 EEEEHM Cc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c([O-])c1C ZINC000436982419 467555067 /nfs/dbraw/zinc/55/50/67/467555067.db2.gz GXCCFZSJGHXDBL-UHFFFAOYSA-N -1 3 336.395 2.238 10 30 EEEEHM C[C@@]1(C[N-]S(=O)(=O)CC2(C#N)CCC2)OCCc2sccc21 ZINC000578373036 468202563 /nfs/dbraw/zinc/20/25/63/468202563.db2.gz RLLKHXRBDBKAEY-AWEZNQCLSA-N -1 3 340.470 2.149 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c(F)c1 ZINC000594490810 468607098 /nfs/dbraw/zinc/60/70/98/468607098.db2.gz JTQYQWZURDHGRV-CYBMUJFWSA-N -1 3 338.404 2.467 10 30 EEEEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000600668955 468615965 /nfs/dbraw/zinc/61/59/65/468615965.db2.gz WPUSQAWGLNLGDS-HOTGVXAUSA-N -1 3 342.436 2.241 10 30 EEEEHM COCC1(C2CC2)CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000601766790 469013938 /nfs/dbraw/zinc/01/39/38/469013938.db2.gz AEBFIBOTRPXRJR-UHFFFAOYSA-N -1 3 343.427 2.093 10 30 EEEEHM C=C(C)C[C@H](NC(=O)c1ccc2[n-]c(OCC)nc2c1)C(=O)OC ZINC000601780799 469020794 /nfs/dbraw/zinc/02/07/94/469020794.db2.gz CVGWURKMUFTHIF-AWEZNQCLSA-N -1 3 331.372 2.199 10 30 EEEEHM C=C(C)C[C@H](NC(=O)c1ccc2nc(OCC)[n-]c2c1)C(=O)OC ZINC000601780799 469020798 /nfs/dbraw/zinc/02/07/98/469020798.db2.gz CVGWURKMUFTHIF-AWEZNQCLSA-N -1 3 331.372 2.199 10 30 EEEEHM COc1cc(CC[N-]S(=O)(=O)c2ccsc2C#N)ccc1C ZINC000593551143 469029412 /nfs/dbraw/zinc/02/94/12/469029412.db2.gz VBVAPEWIURDYBD-UHFFFAOYSA-N -1 3 336.438 2.458 10 30 EEEEHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C2 ZINC000593575879 469043877 /nfs/dbraw/zinc/04/38/77/469043877.db2.gz OPHZRXQDKZGQHI-CYBMUJFWSA-N -1 3 348.449 2.464 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000593601834 469054278 /nfs/dbraw/zinc/05/42/78/469054278.db2.gz QTJQBSXLABQQMS-QWHCGFSZSA-N -1 3 349.437 2.213 10 30 EEEEHM N#CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000593620709 469061925 /nfs/dbraw/zinc/06/19/25/469061925.db2.gz LUKVYOOUYNLOLJ-UHFFFAOYSA-N -1 3 327.337 2.096 10 30 EEEEHM C[C@@H](NCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000775155379 577431308 /nfs/dbraw/zinc/43/13/08/577431308.db2.gz KWMPRPDFNAJPSO-KGLIPLIRSA-N -1 3 337.427 2.437 10 30 EEEEHM CCOC(=O)[C@H](CCOC(C)(C)C)/N=C\c1ccc(O)c([O-])c1O ZINC000776257311 577455857 /nfs/dbraw/zinc/45/58/57/577455857.db2.gz KEOUIKSXNSFIJS-XACIZNRCSA-N -1 3 339.388 2.359 10 30 EEEEHM COc1cc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)ccc1F ZINC000765575492 577503282 /nfs/dbraw/zinc/50/32/82/577503282.db2.gz FABZKKSQVVTNKG-UHFFFAOYSA-N -1 3 330.323 2.053 10 30 EEEEHM C=CCc1cc(OCC)cc(CN2CCN(C3CC3)C(=O)C2)c1[O-] ZINC000748262327 577958416 /nfs/dbraw/zinc/95/84/16/577958416.db2.gz BDFHUFGFBJTAQE-UHFFFAOYSA-N -1 3 330.428 2.326 10 30 EEEEHM C=CCCC(=O)N[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001481532484 1181661190 /nfs/dbraw/zinc/66/11/90/1181661190.db2.gz MFETXQYVSSWKMA-AWEZNQCLSA-N -1 3 330.432 2.106 10 30 EEEEHM C=CCC1(C(=O)N[C@H]2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001268294206 1182188015 /nfs/dbraw/zinc/18/80/15/1182188015.db2.gz LSLWVWPFMHYEKZ-KBPBESRZSA-N -1 3 347.463 2.021 10 30 EEEEHM C=CCCC(=O)N(C)[C@H](C)CNCc1nc(=O)c2sccc2[n-]1 ZINC001482261054 1184810661 /nfs/dbraw/zinc/81/06/61/1184810661.db2.gz QOYUUDITDSFDCB-LLVKDONJSA-N -1 3 334.445 2.300 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCSC1 ZINC000869612398 1200179719 /nfs/dbraw/zinc/17/97/19/1200179719.db2.gz OCIPXKCZLIYUDU-CYBMUJFWSA-N -1 3 333.457 2.468 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)C(=O)OC ZINC000867624854 1201646574 /nfs/dbraw/zinc/64/65/74/1201646574.db2.gz SPAPOKLEZLWBIY-MYSGNRETSA-N -1 3 327.377 2.224 10 30 EEEEHM O=C(c1cccc(Cn2ccnn2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901372463 1235627774 /nfs/dbraw/zinc/62/77/74/1235627774.db2.gz DHDLOBXKMGRDBB-UHFFFAOYSA-N -1 3 326.331 2.497 10 30 EEEEHM C=CCCC(=O)N1CC[C@@H](NCc2nc(=O)c3sccc3[n-]2)[C@H]1C ZINC001278234677 1308875338 /nfs/dbraw/zinc/87/53/38/1308875338.db2.gz RRRMQKSLMHNDQS-VXGBXAGGSA-N -1 3 346.456 2.442 10 30 EEEEHM COC(=O)c1cc(NC(=O)c2cc(C#N)cs2)c([O-])c(OC)c1 ZINC001158239765 1319108765 /nfs/dbraw/zinc/10/87/65/1319108765.db2.gz RFGQMEIRNAUHJA-UHFFFAOYSA-N -1 3 332.337 2.373 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001323277351 1333429808 /nfs/dbraw/zinc/42/98/08/1333429808.db2.gz KWJKLIZXEOZXBI-OAHLLOKOSA-N -1 3 344.459 2.352 10 30 EEEEHM CCCCCCN([O-])C(=O)Cc1ccccc1NS(C)(=O)=O ZINC001339281568 1336984871 /nfs/dbraw/zinc/98/48/71/1336984871.db2.gz RBAZLQIUMHOWGP-UHFFFAOYSA-N -1 3 328.434 2.399 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001357332836 1338984012 /nfs/dbraw/zinc/98/40/12/1338984012.db2.gz CYEMSIPKFLQEHJ-HOCLYGCPSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCCC(=O)N(C)[C@H](C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC001571847491 1343320542 /nfs/dbraw/zinc/32/05/42/1343320542.db2.gz XHVDLGSBPIKBAI-CYBMUJFWSA-N -1 3 341.411 2.071 10 30 EEEEHM C=C/C=C\CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC001596831071 1349912071 /nfs/dbraw/zinc/91/20/71/1349912071.db2.gz ZKWISQKHYXPGRQ-WAYWQWQTSA-N -1 3 338.404 2.152 10 30 EEEEHM COc1cnc(F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC001624145250 1352415100 /nfs/dbraw/zinc/41/51/00/1352415100.db2.gz LYTROAAFXAVLNG-UHFFFAOYSA-N -1 3 344.346 2.390 10 30 EEEEHM CC(C)(C)C#CC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001688060464 1358753829 /nfs/dbraw/zinc/75/38/29/1358753829.db2.gz XUIKIRQPTMVGKR-HNNXBMFYSA-N -1 3 342.439 2.410 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000816154619 783724120 /nfs/dbraw/zinc/72/41/20/783724120.db2.gz YTHOMDWWNUDQAD-CYBMUJFWSA-N -1 3 343.326 2.246 10 30 EEEEHM C[C@@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000816691710 784200980 /nfs/dbraw/zinc/20/09/80/784200980.db2.gz XOZWXKVPBAHYOE-CABZTGNLSA-N -1 3 330.306 2.305 10 30 EEEEHM C/C(=C\C(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000820179822 785824410 /nfs/dbraw/zinc/82/44/10/785824410.db2.gz RBRBQPOXGWSGSZ-IDVQTMNDSA-N -1 3 328.290 2.215 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(C)(C)C ZINC000805146431 811158971 /nfs/dbraw/zinc/15/89/71/811158971.db2.gz GDMONNRQYPHUBC-CYBMUJFWSA-N -1 3 343.832 2.453 10 30 EEEEHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001511147776 1117966010 /nfs/dbraw/zinc/96/60/10/1117966010.db2.gz VMHJNVBEBKNYOK-GOEBONIOSA-N -1 3 328.412 2.305 10 30 EEEEHM O=C(C#CC1CC1)NCC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001532561750 1122798450 /nfs/dbraw/zinc/79/84/50/1122798450.db2.gz RBXSCNTXAQZKIH-INIZCTEOSA-N -1 3 340.423 2.307 10 30 EEEEHM C=C(C)CCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001532581686 1122813881 /nfs/dbraw/zinc/81/38/81/1122813881.db2.gz BGFYKZWHMAXYPW-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM C=CCN(C)CCN(CC)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001568554903 1124609294 /nfs/dbraw/zinc/60/92/94/1124609294.db2.gz ZDBXBWNDZRSCTI-UHFFFAOYSA-N -1 3 328.416 2.158 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1C#N ZINC000341419226 295688123 /nfs/dbraw/zinc/68/81/23/295688123.db2.gz JMKNDYFIKYRRLF-CYBMUJFWSA-N -1 3 346.456 2.081 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000275818108 201288175 /nfs/dbraw/zinc/28/81/75/201288175.db2.gz RQUOJBKGUIJFLB-VIFPVBQESA-N -1 3 327.299 2.060 10 30 EEEEHM NCC#Cc1cccc(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000044490085 204302625 /nfs/dbraw/zinc/30/26/25/204302625.db2.gz DRELQLVKVNHDGY-UHFFFAOYSA-N -1 3 346.184 2.112 10 30 EEEEHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)sc1C ZINC000360255726 164269450 /nfs/dbraw/zinc/26/94/50/164269450.db2.gz CIDOERMQPTZTQV-UHFFFAOYSA-N -1 3 339.417 2.390 10 30 EEEEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000167042578 463660152 /nfs/dbraw/zinc/66/01/52/463660152.db2.gz WVKPXYSJYWHQFM-UHFFFAOYSA-N -1 3 347.234 2.286 10 30 EEEEHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])n1cnc(C#N)n1 ZINC000336914066 465098559 /nfs/dbraw/zinc/09/85/59/465098559.db2.gz KOOWARBKDNRODI-SSDOTTSWSA-N -1 3 325.250 2.074 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000127720284 462576729 /nfs/dbraw/zinc/57/67/29/462576729.db2.gz PLSVUCSIZAJCKM-UKRRQHHQSA-N -1 3 340.420 2.307 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC[C@H]1C#N ZINC000072270451 463490873 /nfs/dbraw/zinc/49/08/73/463490873.db2.gz AKPVXGFXTQSUDP-BBRMVZONSA-N -1 3 327.384 2.422 10 30 EEEEHM COc1cc(C(=O)NCc2ccc(C#N)cc2F)cc(OC)c1[O-] ZINC000163730872 463604257 /nfs/dbraw/zinc/60/42/57/463604257.db2.gz CUNOTEOZIZSPRJ-UHFFFAOYSA-N -1 3 330.315 2.350 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC(CC#N)CC1)c2=O ZINC000543839602 468398218 /nfs/dbraw/zinc/39/82/18/468398218.db2.gz XTOAOKDJIFFHNO-UHFFFAOYSA-N -1 3 325.368 2.303 10 30 EEEEHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)s1 ZINC000176905519 464880794 /nfs/dbraw/zinc/88/07/94/464880794.db2.gz YJNBFVXIOAIDRC-UHFFFAOYSA-N -1 3 325.390 2.249 10 30 EEEEHM N#Cc1ccnc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1 ZINC000353428155 465874714 /nfs/dbraw/zinc/87/47/14/465874714.db2.gz CYVZMRIBPBRSAQ-UHFFFAOYSA-N -1 3 339.355 2.787 10 30 EEEEHM N#CC1(NC(=O)c2csc(=O)[n-]2)CCN(Cc2ccccc2)CC1 ZINC000373845857 466939989 /nfs/dbraw/zinc/93/99/89/466939989.db2.gz QQQHQSWFHZJWLW-UHFFFAOYSA-N -1 3 342.424 2.137 10 30 EEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cn1ccnc1 ZINC000414470413 467412798 /nfs/dbraw/zinc/41/27/98/467412798.db2.gz ONYYCXNNFMEQGV-NSHDSACASA-N -1 3 338.820 2.023 10 30 EEEEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000420734265 467467543 /nfs/dbraw/zinc/46/75/43/467467543.db2.gz VTZNVCNHAXVPCW-RYUDHWBXSA-N -1 3 328.821 2.448 10 30 EEEEHM Cc1csc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)n1 ZINC000440057513 467569035 /nfs/dbraw/zinc/56/90/35/467569035.db2.gz WWCNEKQGGMMALN-UHFFFAOYSA-N -1 3 325.390 2.082 10 30 EEEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1(F)F ZINC000594858941 468709566 /nfs/dbraw/zinc/70/95/66/468709566.db2.gz VMAXHEHIDMITMF-GFCCVEGCSA-N -1 3 345.327 2.180 10 30 EEEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000595353725 468822078 /nfs/dbraw/zinc/82/20/78/468822078.db2.gz LNKDWJZSGKJYLS-HZPDHXFCSA-N -1 3 336.457 2.358 10 30 EEEEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 ZINC000601498647 468894975 /nfs/dbraw/zinc/89/49/75/468894975.db2.gz BNUHRFRTSYJMGM-LNLATYFQSA-N -1 3 348.346 2.421 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OC ZINC000601502451 468897308 /nfs/dbraw/zinc/89/73/08/468897308.db2.gz VLUAAABMAMYHPJ-CQSZACIVSA-N -1 3 345.848 2.310 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)c(F)c1 ZINC000601517004 468903946 /nfs/dbraw/zinc/90/39/46/468903946.db2.gz NSGVIJHRUNSCTN-GDBMZVCRSA-N -1 3 338.404 2.323 10 30 EEEEHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593572892 469041993 /nfs/dbraw/zinc/04/19/93/469041993.db2.gz NENGQTONXXSEMC-NSHDSACASA-N -1 3 328.459 2.087 10 30 EEEEHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574035 469042013 /nfs/dbraw/zinc/04/20/13/469042013.db2.gz XJBMNJSWRHQXIB-NWDGAFQWSA-N -1 3 328.459 2.492 10 30 EEEEHM CO[C@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593600159 469053839 /nfs/dbraw/zinc/05/38/39/469053839.db2.gz AHYXDSJVLAIGNZ-OAHLLOKOSA-N -1 3 336.438 2.460 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OCC ZINC000599320880 469209551 /nfs/dbraw/zinc/20/95/51/469209551.db2.gz DTTWYDDVUSKWRQ-LLVKDONJSA-N -1 3 347.383 2.449 10 30 EEEEHM N#CCOc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000727678433 576443778 /nfs/dbraw/zinc/44/37/78/576443778.db2.gz HZZYJWKAEUAGOS-UHFFFAOYSA-N -1 3 333.347 2.360 10 30 EEEEHM Cc1ccc([O-])c(C=NNC(=S)Nc2ccc(N(C)C)cc2)n1 ZINC000729636372 576669651 /nfs/dbraw/zinc/66/96/51/576669651.db2.gz FYFFPPNKEXNMSI-UHFFFAOYSA-N -1 3 329.429 2.482 10 30 EEEEHM C=CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccncc1 ZINC000734505179 577304187 /nfs/dbraw/zinc/30/41/87/577304187.db2.gz ZSGVSDJQFPZPIU-GFCCVEGCSA-N -1 3 340.836 2.373 10 30 EEEEHM Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NN=c1cc[n-]n1C ZINC000774414113 577398092 /nfs/dbraw/zinc/39/80/92/577398092.db2.gz SAFPEBNPOKXOBF-UHFFFAOYSA-N -1 3 349.442 2.382 10 30 EEEEHM [O-]c1ccc(CN=Nc2ncnc3c2cnn3-c2ccccc2)nc1 ZINC000755652323 577828613 /nfs/dbraw/zinc/82/86/13/577828613.db2.gz UZACGEFKEQFYGW-UHFFFAOYSA-N -1 3 331.339 2.362 10 30 EEEEHM [O-]c1ccc(CN=Nc2nc(Br)cn3ccnc23)nc1 ZINC000755758398 577830572 /nfs/dbraw/zinc/83/05/72/577830572.db2.gz POYJDGYMYASNDC-UHFFFAOYSA-N -1 3 333.149 2.038 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN(CCC#N)Cc1ccco1 ZINC000747963370 577953051 /nfs/dbraw/zinc/95/30/51/577953051.db2.gz WEBWYKDVCJKACK-AWEZNQCLSA-N -1 3 341.415 2.223 10 30 EEEEHM C=CCc1cc(OCC)cc(CN2CCO[C@H](C(=O)OCC)C2)c1[O-] ZINC000741242453 578115238 /nfs/dbraw/zinc/11/52/38/578115238.db2.gz PMVBWWGPJZVZQO-KRWDZBQOSA-N -1 3 349.427 2.283 10 30 EEEEHM C=C1CC(C)(c2noc([C@H](CCSC)[N-]S(=O)(=O)CC)n2)C1 ZINC000896927751 685856586 /nfs/dbraw/zinc/85/65/86/685856586.db2.gz OMCVAWMTKVDTBC-NSHDSACASA-N -1 3 345.490 2.411 10 30 EEEEHM O=C(C1CN([C@@H]2CCOC2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178196 694321154 /nfs/dbraw/zinc/32/11/54/694321154.db2.gz BHTFNCCVKRHXLG-CQSZACIVSA-N -1 3 345.226 2.432 10 30 EEEEHM CC#CCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001687332784 1177370810 /nfs/dbraw/zinc/37/08/10/1177370810.db2.gz PLUYKFUXCCOWMQ-HNNXBMFYSA-N -1 3 328.412 2.307 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001486708933 1194181227 /nfs/dbraw/zinc/18/12/27/1194181227.db2.gz HEJPRGPRIYKPNE-NEPJUHHUSA-N -1 3 346.431 2.039 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000882516708 1201888241 /nfs/dbraw/zinc/88/82/41/1201888241.db2.gz DXHGQYSLRSVAOF-RXSFTSLZSA-N -1 3 346.518 2.443 10 30 EEEEHM C=C(C)C[C@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000883532684 1202083537 /nfs/dbraw/zinc/08/35/37/1202083537.db2.gz XIOJSHDHZFMPKJ-LLVKDONJSA-N -1 3 343.221 2.281 10 30 EEEEHM CCOC(=O)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccncc1 ZINC000840709663 1315401444 /nfs/dbraw/zinc/40/14/44/1315401444.db2.gz KWRVSPADLKVYJQ-PPAWOMOGSA-N -1 3 343.383 2.096 10 30 EEEEHM Cc1nc2ccnn2c(C)c1CCC(=O)[N-]Oc1cccc(C#N)c1 ZINC001151431619 1316533195 /nfs/dbraw/zinc/53/31/95/1316533195.db2.gz CZTORQJTICAUHV-UHFFFAOYSA-N -1 3 335.367 2.261 10 30 EEEEHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001164225710 1321324533 /nfs/dbraw/zinc/32/45/33/1321324533.db2.gz JONXSMSYZWGVIU-RXMQYKEDSA-N -1 3 327.226 2.171 10 30 EEEEHM C=CCO[C@@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001261087511 1322012229 /nfs/dbraw/zinc/01/22/29/1322012229.db2.gz QNIMAPJWLDQYCZ-LLVKDONJSA-N -1 3 334.322 2.223 10 30 EEEEHM C=CCC(CC=C)C(=O)N1CCCCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001282314528 1325687472 /nfs/dbraw/zinc/68/74/72/1325687472.db2.gz BFINZMJMWYHLBJ-OAHLLOKOSA-N -1 3 345.447 2.074 10 30 EEEEHM C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001285405769 1326986174 /nfs/dbraw/zinc/98/61/74/1326986174.db2.gz ZPSXIGOLRDBXCJ-ZBFHGGJFSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCn1cccc1C(=O)NC[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001297719224 1329997544 /nfs/dbraw/zinc/99/75/44/1329997544.db2.gz CARWMKZSWDZBOB-AWEZNQCLSA-N -1 3 341.411 2.176 10 30 EEEEHM C=CCCCC(=O)NC[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C(C)(C)C ZINC001338912853 1336930965 /nfs/dbraw/zinc/93/09/65/1336930965.db2.gz UMYIMLVFBLTROO-CYBMUJFWSA-N -1 3 348.447 2.108 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(F)(F)C1 ZINC001355978730 1338777872 /nfs/dbraw/zinc/77/78/72/1338777872.db2.gz YLQRIWDHQJSUPI-UHFFFAOYSA-N -1 3 329.742 2.138 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(F)(F)C1 ZINC001355978730 1338777874 /nfs/dbraw/zinc/77/78/74/1338777874.db2.gz YLQRIWDHQJSUPI-UHFFFAOYSA-N -1 3 329.742 2.138 10 30 EEEEHM COC(=O)c1cnn(CC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001611662796 1352303562 /nfs/dbraw/zinc/30/35/62/1352303562.db2.gz WSSUMIARMGZWAY-UHFFFAOYSA-N -1 3 339.351 2.241 10 30 EEEEHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(C(=O)NO)cc1 ZINC001618007602 1352347076 /nfs/dbraw/zinc/34/70/76/1352347076.db2.gz LDRHUTXPPMCFSY-UHFFFAOYSA-N -1 3 346.358 2.289 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001587924147 1348874698 /nfs/dbraw/zinc/87/46/98/1348874698.db2.gz IAPNVHOOTCQKDY-INIZCTEOSA-N -1 3 335.363 2.119 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001678178835 1357479249 /nfs/dbraw/zinc/47/92/49/1357479249.db2.gz WVIBFIPYVUCWDO-GFCCVEGCSA-N -1 3 343.431 2.137 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1C(=O)c1cccs1 ZINC001628548429 1352537208 /nfs/dbraw/zinc/53/72/08/1352537208.db2.gz YJIDOZKJPMJDSW-ZDUSSCGKSA-N -1 3 344.392 2.089 10 30 EEEEHM N#Cc1ccc(N[C@@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nc1 ZINC001651438176 1354052659 /nfs/dbraw/zinc/05/26/59/1354052659.db2.gz DNLAJPWJPGFKLL-GFCCVEGCSA-N -1 3 340.343 2.043 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@@H](C)CC)n1 ZINC001684815563 1358281700 /nfs/dbraw/zinc/28/17/00/1358281700.db2.gz MHUNEUXROFUVJV-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CC12CCN(C(=O)c1ccccc1[O-])CC2 ZINC001687925408 1358676526 /nfs/dbraw/zinc/67/65/26/1358676526.db2.gz QZLKPOAVNHYWSY-KRWDZBQOSA-N -1 3 340.423 2.163 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)CC=C(Cl)Cl)C(=O)OC ZINC000921382296 773317086 /nfs/dbraw/zinc/31/70/86/773317086.db2.gz AZWDHJTVJBOGTH-SECBINFHSA-N -1 3 330.233 2.123 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000816690873 784199477 /nfs/dbraw/zinc/19/94/77/784199477.db2.gz FLGMRFDQRPHGPV-OAHLLOKOSA-N -1 3 348.305 2.477 10 30 EEEEHM O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CCN([O-])C1=O ZINC000816695697 784201734 /nfs/dbraw/zinc/20/17/34/784201734.db2.gz JBUYZFGASMZIEW-LBPRGKRZSA-N -1 3 349.774 2.034 10 30 EEEEHM O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N[C@@H]1CCN([O-])C1=O ZINC000816696691 784202620 /nfs/dbraw/zinc/20/26/20/784202620.db2.gz DXKQMRBIZFJEBD-PFEDMVJOSA-N -1 3 348.708 2.392 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(OCC2CCCCC2)cc1 ZINC000820179383 785824879 /nfs/dbraw/zinc/82/48/79/785824879.db2.gz JWSOFLJVVWNCIN-MRXNPFEDSA-N -1 3 332.400 2.366 10 30 EEEEHM C=CCOC[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)OC ZINC001467514767 1110457743 /nfs/dbraw/zinc/45/77/43/1110457743.db2.gz ALQIVRONGLWWQV-LBPRGKRZSA-N -1 3 335.381 2.081 10 30 EEEEHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccncc1 ZINC001474982638 1110604043 /nfs/dbraw/zinc/60/40/43/1110604043.db2.gz MOQWFMOXCHARFY-LLVKDONJSA-N -1 3 325.340 2.351 10 30 EEEEHM C=CC(C)(C)CC(=O)NCCC[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001510080364 1115973632 /nfs/dbraw/zinc/97/36/32/1115973632.db2.gz GLIVVABAMSTAHC-GFCCVEGCSA-N -1 3 348.447 2.108 10 30 EEEEHM C=CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001523006071 1119593922 /nfs/dbraw/zinc/59/39/22/1119593922.db2.gz FOLDRKFNOFUFER-CQSZACIVSA-N -1 3 328.412 2.469 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001532247294 1122697490 /nfs/dbraw/zinc/69/74/90/1122697490.db2.gz NTWACQRDSNLHJW-QWHCGFSZSA-N -1 3 343.431 2.042 10 30 EEEEHM COC(=O)c1nc[n-]c1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001532462861 1122755798 /nfs/dbraw/zinc/75/57/98/1122755798.db2.gz FXLFBFVAKVPCRX-UHFFFAOYSA-N -1 3 337.257 2.205 10 30 EEEEHM C=C(C)CCC(=O)N1CCCC[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001532580542 1122814377 /nfs/dbraw/zinc/81/43/77/1122814377.db2.gz YSIDAQGNZIGTFI-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM O=S(=O)([N-]C1CCC1)c1c(Cl)cc(C#CCO)cc1Cl ZINC000052214172 214122495 /nfs/dbraw/zinc/12/24/95/214122495.db2.gz ZHGNODRCQFMZPK-UHFFFAOYSA-N -1 3 334.224 2.168 10 30 EEEEHM CCC[C@]1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCOC1 ZINC000285366204 201331495 /nfs/dbraw/zinc/33/14/95/201331495.db2.gz QQKYTSXPOGDGAQ-AWEZNQCLSA-N -1 3 328.821 2.449 10 30 EEEEHM CCc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3)CCCC2)no1 ZINC000177609404 207362740 /nfs/dbraw/zinc/36/27/40/207362740.db2.gz XNFFSRIESCETTD-UHFFFAOYSA-N -1 3 346.412 2.251 10 30 EEEEHM N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ncccc1[O-] ZINC000352506020 162163012 /nfs/dbraw/zinc/16/30/12/162163012.db2.gz CNNBPMCQUAZPNX-UHFFFAOYSA-N -1 3 338.367 2.084 10 30 EEEEHM COc1nnc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[n-]1 ZINC000352680307 162242858 /nfs/dbraw/zinc/24/28/58/162242858.db2.gz HBARAFWZLCTVTL-UHFFFAOYSA-N -1 3 336.311 2.125 10 30 EEEEHM COc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n[n-]1 ZINC000352680307 162242862 /nfs/dbraw/zinc/24/28/62/162242862.db2.gz HBARAFWZLCTVTL-UHFFFAOYSA-N -1 3 336.311 2.125 10 30 EEEEHM COc1n[n-]c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000352680307 162242864 /nfs/dbraw/zinc/24/28/64/162242864.db2.gz HBARAFWZLCTVTL-UHFFFAOYSA-N -1 3 336.311 2.125 10 30 EEEEHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000277719269 267071172 /nfs/dbraw/zinc/07/11/72/267071172.db2.gz JBHBTEFPOCULFC-SKDRFNHKSA-N -1 3 348.346 2.280 10 30 EEEEHM CC(=O)c1cnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000118632644 278253326 /nfs/dbraw/zinc/25/33/26/278253326.db2.gz JSSIGKNGIBRHDD-UHFFFAOYSA-N -1 3 344.396 2.094 10 30 EEEEHM N#CCCn1cc(CNCc2ncccc2[O-])c(-c2ccncc2)n1 ZINC000355294334 465238262 /nfs/dbraw/zinc/23/82/62/465238262.db2.gz SRHIUTBUNDIVSB-UHFFFAOYSA-N -1 3 334.383 2.249 10 30 EEEEHM CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000119041667 462869827 /nfs/dbraw/zinc/86/98/27/462869827.db2.gz XCDUKTFTYPGNJY-ZFWWWQNUSA-N -1 3 329.400 2.005 10 30 EEEEHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc(CC#N)cc2)c1 ZINC000579348300 468345264 /nfs/dbraw/zinc/34/52/64/468345264.db2.gz AJZUCFMSGRKRBG-UHFFFAOYSA-N -1 3 332.429 2.084 10 30 EEEEHM CCOc1ccncc1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1 ZINC000295081100 464699603 /nfs/dbraw/zinc/69/96/03/464699603.db2.gz DLPSEUIGWDWMCF-UHFFFAOYSA-N -1 3 343.408 2.320 10 30 EEEEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000582729983 468586346 /nfs/dbraw/zinc/58/63/46/468586346.db2.gz QJCCNDUOECFCGX-GWCFXTLKSA-N -1 3 330.837 2.287 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)s1 ZINC000337952336 465706278 /nfs/dbraw/zinc/70/62/78/465706278.db2.gz NYKDHPBPDJZZJY-UHFFFAOYSA-N -1 3 346.393 2.148 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCOCC2CCC2)c(Cl)c1 ZINC000569299119 468466767 /nfs/dbraw/zinc/46/67/67/468466767.db2.gz IHHUHLISNQTYQV-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM C=CCN(CC=C)[C@H](CNC(=O)NCc1ncccc1[O-])C(C)C ZINC000349350989 466079295 /nfs/dbraw/zinc/07/92/95/466079295.db2.gz DLCPUOZSWUKWLA-MRXNPFEDSA-N -1 3 332.448 2.285 10 30 EEEEHM CCCn1c(=O)[n-]nc1SCCOc1ccc(C#N)cc1OC ZINC000353764418 466129866 /nfs/dbraw/zinc/12/98/66/466129866.db2.gz XYKRNXCWKKRBPA-UHFFFAOYSA-N -1 3 334.401 2.445 10 30 EEEEHM CC1(C)Cc2ccc(C(=O)NC[C@@H]3CCCN(CC#N)C3)c([O-])c2O1 ZINC000531355621 468047015 /nfs/dbraw/zinc/04/70/15/468047015.db2.gz GMJNZUQGEDUUTF-ZDUSSCGKSA-N -1 3 343.427 2.071 10 30 EEEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000517684994 468092727 /nfs/dbraw/zinc/09/27/27/468092727.db2.gz FHHRYYDTXZRGPB-MNOVXSKESA-N -1 3 336.335 2.112 10 30 EEEEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000600668115 468614599 /nfs/dbraw/zinc/61/45/99/468614599.db2.gz LVJAHIDRNJRZNI-LSDHHAIUSA-N -1 3 342.436 2.241 10 30 EEEEHM COC1CC(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000597860455 468696109 /nfs/dbraw/zinc/69/61/09/468696109.db2.gz DQDSZRPULKIDJB-UHFFFAOYSA-N -1 3 331.416 2.140 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601512629 468901890 /nfs/dbraw/zinc/90/18/90/468901890.db2.gz CJJROPOVWDNYAP-GXTWGEPZSA-N -1 3 326.443 2.246 10 30 EEEEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)no1 ZINC000593540184 469024288 /nfs/dbraw/zinc/02/42/88/469024288.db2.gz NBPQGMCYTIDRTG-UHFFFAOYSA-N -1 3 348.428 2.393 10 30 EEEEHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593600169 469053144 /nfs/dbraw/zinc/05/31/44/469053144.db2.gz ARCPDPOHCYBBQB-NEPJUHHUSA-N -1 3 328.459 2.349 10 30 EEEEHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593600170 469053939 /nfs/dbraw/zinc/05/39/39/469053939.db2.gz ARCPDPOHCYBBQB-NWDGAFQWSA-N -1 3 328.459 2.349 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC2(CO)CCC2)c(Cl)c1 ZINC000593664357 469084019 /nfs/dbraw/zinc/08/40/19/469084019.db2.gz KPNNXAJAJBROHR-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000620306957 469809431 /nfs/dbraw/zinc/80/94/31/469809431.db2.gz UGMGOMNVNTYMGV-KHYOSLBOSA-N -1 3 339.395 2.064 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000620306958 469809463 /nfs/dbraw/zinc/80/94/63/469809463.db2.gz UGMGOMNVNTYMGV-ZRGWGRIASA-N -1 3 339.395 2.064 10 30 EEEEHM C=CC(C)(C)CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000624467975 469945600 /nfs/dbraw/zinc/94/56/00/469945600.db2.gz MPKAJIMWOSXBRV-UHFFFAOYSA-N -1 3 345.443 2.462 10 30 EEEEHM C=CCC[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625279021 470110719 /nfs/dbraw/zinc/11/07/19/470110719.db2.gz ZKFBHRZIXYOXSJ-UHFFFAOYSA-N -1 3 325.308 2.448 10 30 EEEEHM CC1(C(=O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCCC1 ZINC000625550269 470163425 /nfs/dbraw/zinc/16/34/25/470163425.db2.gz VQAHRZINFNCMBL-UHFFFAOYSA-N -1 3 338.404 2.266 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000633965302 470652489 /nfs/dbraw/zinc/65/24/89/470652489.db2.gz OACKZRLCUPQDSI-LJQANCHMSA-N -1 3 343.427 2.463 10 30 EEEEHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)OC ZINC000451684128 535649246 /nfs/dbraw/zinc/64/92/46/535649246.db2.gz WRXGXYUAZSLCGF-IAQYHMDHSA-N -1 3 328.409 2.178 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H](c2nnc3ccccn32)C(C)C)c1[O-] ZINC000726119138 576238767 /nfs/dbraw/zinc/23/87/67/576238767.db2.gz VVZYIDYSTAZBGN-FCASDWRQSA-N -1 3 339.399 2.447 10 30 EEEEHM C#CCCOc1ccc(CN[C@@H](C)c2nnc(C(=O)OCC)[n-]2)cc1 ZINC000895237832 684343160 /nfs/dbraw/zinc/34/31/60/684343160.db2.gz WUYWWDOZEIINKX-ZDUSSCGKSA-N -1 3 342.399 2.234 10 30 EEEEHM O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N([O-])Cc1ccc(F)cc1 ZINC000904178701 694312528 /nfs/dbraw/zinc/31/25/28/694312528.db2.gz RPCBBWRMNAJOJY-LSDHHAIUSA-N -1 3 339.363 2.244 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000905002871 694498837 /nfs/dbraw/zinc/49/88/37/694498837.db2.gz SLYFHERLFOHJMZ-SMSCIDHVSA-N -1 3 349.431 2.262 10 30 EEEEHM C=C(C)CN1CC[C@H](N(CCC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001267487153 1179151968 /nfs/dbraw/zinc/15/19/68/1179151968.db2.gz AYLXMBRVFVTDLE-ZDUSSCGKSA-N -1 3 344.415 2.431 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N[C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001746151489 1187554970 /nfs/dbraw/zinc/55/49/70/1187554970.db2.gz MUCJRKJJFRMFEV-STQMWFEESA-N -1 3 343.431 2.185 10 30 EEEEHM CC[C@@H](C#N)[N-]S(=O)(=O)Cc1c(Br)cccc1OC ZINC000872003062 1198018557 /nfs/dbraw/zinc/01/85/57/1198018557.db2.gz FERKGVCWHZWAJD-VIFPVBQESA-N -1 3 347.234 2.179 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000872671544 1198326631 /nfs/dbraw/zinc/32/66/31/1198326631.db2.gz STILAQVFCMVEBL-UMSPYCQHSA-N -1 3 343.246 2.314 10 30 EEEEHM N#CC(C(=O)Cn1ncc2cccnc21)=C([O-])C1(c2ccccc2)CC1 ZINC000873545585 1198637391 /nfs/dbraw/zinc/63/73/91/1198637391.db2.gz WXUDJWKHFVCNAV-INIZCTEOSA-N -1 3 344.374 2.441 10 30 EEEEHM CCO[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000870454993 1200685722 /nfs/dbraw/zinc/68/57/22/1200685722.db2.gz SELSJVNRUWVXHM-LESCRADOSA-N -1 3 341.407 2.438 10 30 EEEEHM N#C[C@@]1(C(=O)NCc2ccc([O-])c(Br)c2)CCCOC1 ZINC000866772622 1201602409 /nfs/dbraw/zinc/60/24/09/1201602409.db2.gz GXKVDTLWQRRZGU-AWEZNQCLSA-N -1 3 339.189 2.091 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OC ZINC000867623120 1201646268 /nfs/dbraw/zinc/64/62/68/1201646268.db2.gz BZBKMNDCMKCYBQ-QIAWRQBBSA-N -1 3 327.377 2.224 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)[C@H](CCC)C(=O)OCC)c1ccc(F)cc1 ZINC000882212235 1201832524 /nfs/dbraw/zinc/83/25/24/1201832524.db2.gz GYULCBPEFDKEPO-HUUCEWRRSA-N -1 3 341.404 2.151 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)C(=O)OCC ZINC000882645022 1201912645 /nfs/dbraw/zinc/91/26/45/1201912645.db2.gz HURMHLYGACRDPK-WDEREUQCSA-N -1 3 345.383 2.392 10 30 EEEEHM C=CCCCC(=O)NC[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001276916856 1300250285 /nfs/dbraw/zinc/25/02/85/1300250285.db2.gz YHZOHKGBRQZQLM-HNNXBMFYSA-N -1 3 330.432 2.106 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001263288433 1322453653 /nfs/dbraw/zinc/45/36/53/1322453653.db2.gz RYJGTMSBMSCXPH-NSHDSACASA-N -1 3 346.826 2.423 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001263288433 1322453657 /nfs/dbraw/zinc/45/36/57/1322453657.db2.gz RYJGTMSBMSCXPH-NSHDSACASA-N -1 3 346.826 2.423 10 30 EEEEHM CC(C)(C)C#CC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001281958324 1325536048 /nfs/dbraw/zinc/53/60/48/1325536048.db2.gz ABFLJBKHCDPENZ-GDBMZVCRSA-N -1 3 340.423 2.115 10 30 EEEEHM C=CCn1cccc1C(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001285600438 1327071667 /nfs/dbraw/zinc/07/16/67/1327071667.db2.gz ZLNWDENZBPCSNF-CQSZACIVSA-N -1 3 341.411 2.270 10 30 EEEEHM C=C1CC(C)(C(=O)N[C@H](C)C2CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001286211578 1327342240 /nfs/dbraw/zinc/34/22/40/1327342240.db2.gz GZQGEPQYFKIKMZ-CYBMUJFWSA-N -1 3 328.412 2.325 10 30 EEEEHM C=CCCC(=O)NC[C@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC001288211839 1327668217 /nfs/dbraw/zinc/66/82/17/1327668217.db2.gz CQIAEIAXURRTEP-AWEZNQCLSA-N -1 3 343.431 2.185 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001298541080 1330098667 /nfs/dbraw/zinc/09/86/67/1330098667.db2.gz BKSWXATUTVSWFW-AWEZNQCLSA-N -1 3 345.330 2.123 10 30 EEEEHM C#CC[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001337298327 1336678817 /nfs/dbraw/zinc/67/88/17/1336678817.db2.gz GDUSWROYKOTDQB-NSHDSACASA-N -1 3 340.832 2.197 10 30 EEEEHM CC(C)C#CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001338328570 1336841363 /nfs/dbraw/zinc/84/13/63/1336841363.db2.gz ZNAPVOSTTDTVID-LSDHHAIUSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCC1(C(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])CCOCC1 ZINC001347389422 1337508030 /nfs/dbraw/zinc/50/80/30/1337508030.db2.gz RQIIQEBLNWVQHN-UHFFFAOYSA-N -1 3 349.383 2.499 10 30 EEEEHM O=C(C#CC1CC1)N1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001356973339 1338927567 /nfs/dbraw/zinc/92/75/67/1338927567.db2.gz XXRMRSFUPXPRAY-UHFFFAOYSA-N -1 3 340.423 2.164 10 30 EEEEHM C=C/C=C/CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC001596831070 1349912150 /nfs/dbraw/zinc/91/21/50/1349912150.db2.gz ZKWISQKHYXPGRQ-AATRIKPKSA-N -1 3 338.404 2.152 10 30 EEEEHM O=C(Cc1ccsc1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001639049904 1352693733 /nfs/dbraw/zinc/69/37/33/1352693733.db2.gz NBZVKGPTKZESEB-UHFFFAOYSA-N -1 3 344.392 2.195 10 30 EEEEHM C#CC(C)(C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001661526468 1354650286 /nfs/dbraw/zinc/65/02/86/1354650286.db2.gz OKXBYVUZSIUIIU-UHFFFAOYSA-N -1 3 325.283 2.414 10 30 EEEEHM Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCN([O-])C3=O)o2)c(C)c1 ZINC000816691423 784199576 /nfs/dbraw/zinc/19/95/76/784199576.db2.gz RAARHVAINYQAAP-AWEZNQCLSA-N -1 3 344.367 2.195 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000820179708 785823861 /nfs/dbraw/zinc/82/38/61/785823861.db2.gz OPRRXJDOHVUEOF-OAHLLOKOSA-N -1 3 347.802 2.467 10 30 EEEEHM C#CCN(C)CCCNC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000909038002 785945091 /nfs/dbraw/zinc/94/50/91/785945091.db2.gz RACDGCDXNQNUAF-DLBZAZTESA-N -1 3 349.475 2.007 10 30 EEEEHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000844640733 789286811 /nfs/dbraw/zinc/28/68/11/789286811.db2.gz KRPVERLSLHVTNT-UHFFFAOYSA-N -1 3 345.428 2.200 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCCC1 ZINC001464354382 1110392255 /nfs/dbraw/zinc/39/22/55/1110392255.db2.gz CXIZTUBSLOVNLB-UHFFFAOYSA-N -1 3 325.777 2.101 10 30 EEEEHM C[C@H](NC(=O)c1ccccc1OCC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001472109415 1110543282 /nfs/dbraw/zinc/54/32/82/1110543282.db2.gz OCFWGBRXOPGRMI-QMMMGPOBSA-N -1 3 339.277 2.217 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2ccc(C(=O)OCC)cc2F)CCCC1 ZINC001475617737 1110615871 /nfs/dbraw/zinc/61/58/71/1110615871.db2.gz BWJLXUQZXQCONC-UHFFFAOYSA-N -1 3 339.388 2.227 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC001502355740 1113642659 /nfs/dbraw/zinc/64/26/59/1113642659.db2.gz JQEHKPJOFCOTFH-CYBMUJFWSA-N -1 3 341.411 2.119 10 30 EEEEHM C=CCO[C@H](C)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001526298367 1120492648 /nfs/dbraw/zinc/49/26/48/1120492648.db2.gz RZUMBSRHNNGQKS-WLYUNCDWSA-N -1 3 346.427 2.141 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000451733211 243233528 /nfs/dbraw/zinc/23/35/28/243233528.db2.gz GFPIXVWXCVADHI-UHFFFAOYSA-N -1 3 332.784 2.009 10 30 EEEEHM CC(C)N1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC000123347866 292280566 /nfs/dbraw/zinc/28/05/66/292280566.db2.gz KEFDRXCAUYGYOY-FZMZJTMJSA-N -1 3 341.864 2.219 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@H]1O ZINC000178713470 159909169 /nfs/dbraw/zinc/90/91/69/159909169.db2.gz HIAYXLAOXLRFJP-GOEBONIOSA-N -1 3 348.811 2.148 10 30 EEEEHM Cc1ccn(-c2ccccc2C[N-]S(=O)(=O)c2ccc(C#N)o2)n1 ZINC000344721598 161239661 /nfs/dbraw/zinc/23/96/61/161239661.db2.gz JJADKRDYOPUIFO-UHFFFAOYSA-N -1 3 342.380 2.124 10 30 EEEEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C#N)c3ccccc3n2)n1 ZINC000345040852 161266177 /nfs/dbraw/zinc/26/61/77/161266177.db2.gz UJSFCTGTNFDYRU-UHFFFAOYSA-N -1 3 336.311 2.483 10 30 EEEEHM Cc1nc(SCC(=O)NCc2ncccc2[O-])c(C#N)c(C)c1C ZINC000352510326 162164058 /nfs/dbraw/zinc/16/40/58/162164058.db2.gz SPGNENXHHOTWKV-UHFFFAOYSA-N -1 3 342.424 2.388 10 30 EEEEHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000297242721 265952365 /nfs/dbraw/zinc/95/23/65/265952365.db2.gz XHYJOJYBGVQEOS-INIZCTEOSA-N -1 3 340.420 2.058 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1cccc(C#N)c1 ZINC000358552077 465188964 /nfs/dbraw/zinc/18/89/64/465188964.db2.gz CTZLGESBDRQBBU-UHFFFAOYSA-N -1 3 348.380 2.033 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178713340 463949066 /nfs/dbraw/zinc/94/90/66/463949066.db2.gz RMGYBAMTGXMTKK-ZBFHGGJFSA-N -1 3 348.811 2.148 10 30 EEEEHM Cc1ncc(CO)c(/C=N/Cc2ccc(F)c(CN(C)C)c2)c1[O-] ZINC000265116002 464510081 /nfs/dbraw/zinc/51/00/81/464510081.db2.gz DTPTXZFYUPCWBP-AWQFTUOYSA-N -1 3 331.391 2.408 10 30 EEEEHM CC[C@@]1(C)[N-]C(=O)N(N=Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000254769892 465019352 /nfs/dbraw/zinc/01/93/52/465019352.db2.gz UPXSHDAVUBOSEW-CYBMUJFWSA-N -1 3 335.232 2.437 10 30 EEEEHM CCc1noc(CC)c1C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000352956553 465574594 /nfs/dbraw/zinc/57/45/94/465574594.db2.gz ZICZPICZBVJEBL-UHFFFAOYSA-N -1 3 325.434 2.303 10 30 EEEEHM CC(C)(CC#N)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000457998600 467748991 /nfs/dbraw/zinc/74/89/91/467748991.db2.gz XGMVILNLDAHAQA-CQSZACIVSA-N -1 3 329.400 2.053 10 30 EEEEHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000556335259 468522524 /nfs/dbraw/zinc/52/25/24/468522524.db2.gz LIPGIXRJEQANTM-HIFRSBDPSA-N -1 3 340.420 2.427 10 30 EEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)n1 ZINC000594431956 468583937 /nfs/dbraw/zinc/58/39/37/468583937.db2.gz TWGOQQKUVMEDKD-HNNXBMFYSA-N -1 3 339.399 2.095 10 30 EEEEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCc3ccc(C#N)cc3)cn21 ZINC000594795504 468689118 /nfs/dbraw/zinc/68/91/18/468689118.db2.gz OEFGOJWVPQYXRI-CYBMUJFWSA-N -1 3 344.440 2.173 10 30 EEEEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000594801243 468691990 /nfs/dbraw/zinc/69/19/90/468691990.db2.gz LNKXQICSAQWXRO-AWEZNQCLSA-N -1 3 326.393 2.181 10 30 EEEEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)O1 ZINC000594851230 468704779 /nfs/dbraw/zinc/70/47/79/468704779.db2.gz HYTAGQDRNJYYDZ-GXFFZTMASA-N -1 3 328.821 2.448 10 30 EEEEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)O1 ZINC000594851880 468704899 /nfs/dbraw/zinc/70/48/99/468704899.db2.gz MEHHOVJRGFXTIS-CMPLNLGQSA-N -1 3 328.821 2.448 10 30 EEEEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)O1 ZINC000594852200 468705595 /nfs/dbraw/zinc/70/55/95/468705595.db2.gz OJHIPPBBRAWPAO-PWSUYJOCSA-N -1 3 328.821 2.448 10 30 EEEEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)O1 ZINC000594852544 468705645 /nfs/dbraw/zinc/70/56/45/468705645.db2.gz RAVHAOYZXQFCOL-SMDDNHRTSA-N -1 3 326.393 2.074 10 30 EEEEHM CC(C)(F)C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601476646 468889857 /nfs/dbraw/zinc/88/98/57/468889857.db2.gz UVPBAJATWAOZKO-UHFFFAOYSA-N -1 3 335.198 2.347 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)C(=O)OC ZINC000601500893 468896532 /nfs/dbraw/zinc/89/65/32/468896532.db2.gz DNAQAVLNNRPYPH-UWVGGRQHSA-N -1 3 331.356 2.002 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)OC ZINC000601503190 468897799 /nfs/dbraw/zinc/89/77/99/468897799.db2.gz ZQVYTOCACHJPTG-LBPRGKRZSA-N -1 3 347.820 2.135 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC ZINC000601502617 468898156 /nfs/dbraw/zinc/89/81/56/468898156.db2.gz RGIIPCDAGDTWRB-ZDUSSCGKSA-N -1 3 349.811 2.406 10 30 EEEEHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593570388 469041603 /nfs/dbraw/zinc/04/16/03/469041603.db2.gz XDMLBSIIZMIIKQ-GWCFXTLKSA-N -1 3 328.459 2.492 10 30 EEEEHM Cc1cc(Cl)cc(C=NNC(=S)NC[C@H]2CCCO2)c1[O-] ZINC000774573572 577404849 /nfs/dbraw/zinc/40/48/49/577404849.db2.gz NVFVHEIXWVDYPA-GFCCVEGCSA-N -1 3 327.837 2.331 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001625779510 1176050972 /nfs/dbraw/zinc/05/09/72/1176050972.db2.gz NDXVSNBAWFUBDV-SREVYHEPSA-N -1 3 338.289 2.187 10 30 EEEEHM C=CCCCC(=O)NC[C@@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001266480257 1176611379 /nfs/dbraw/zinc/61/13/79/1176611379.db2.gz NDIVUKHWYZMHMW-INIZCTEOSA-N -1 3 344.459 2.497 10 30 EEEEHM CC(=O)c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Cl ZINC000879149940 1200889937 /nfs/dbraw/zinc/88/99/37/1200889937.db2.gz ZGDCWLMWXHUGEP-GFCCVEGCSA-N -1 3 325.752 2.044 10 30 EEEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000796601836 1221617038 /nfs/dbraw/zinc/61/70/38/1221617038.db2.gz NDRQMTLAYNJRSB-AWEZNQCLSA-N -1 3 347.374 2.326 10 30 EEEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)C[C@H](OC)C3CC3)cc21 ZINC000901954372 1236709658 /nfs/dbraw/zinc/70/96/58/1236709658.db2.gz QIPDIQHYQRLGSW-INIZCTEOSA-N -1 3 335.429 2.389 10 30 EEEEHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1ccco1 ZINC000867072298 1281969715 /nfs/dbraw/zinc/96/97/15/1281969715.db2.gz ZPXXIKJBONSWJF-AWEZNQCLSA-N -1 3 338.360 2.346 10 30 EEEEHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000855496563 1293235329 /nfs/dbraw/zinc/23/53/29/1293235329.db2.gz RTYCXCPLESTFKH-UHFFFAOYSA-N -1 3 331.368 2.012 10 30 EEEEHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001211375959 1295856860 /nfs/dbraw/zinc/85/68/60/1295856860.db2.gz ORIXLHWRSZZPSS-VIFPVBQESA-N -1 3 346.861 2.413 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNC[C@H](F)CC)cc(=O)[n-]1 ZINC001264026730 1322587721 /nfs/dbraw/zinc/58/77/21/1322587721.db2.gz IFGXZJNYIAVNAJ-GFCCVEGCSA-N -1 3 338.427 2.238 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001280484756 1324250258 /nfs/dbraw/zinc/25/02/58/1324250258.db2.gz YSWIMAQPANFOSB-QWHCGFSZSA-N -1 3 343.431 2.137 10 30 EEEEHM C[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)CN1C(=O)c1ccccc1[O-] ZINC001281160818 1324808523 /nfs/dbraw/zinc/80/85/23/1324808523.db2.gz VTNKTTOPJNKWMD-KBPBESRZSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CCCCC(=O)N[C@@H](CNC(=O)c1c(C)nc[n-]c1=O)C(C)(C)C ZINC001281316232 1324958736 /nfs/dbraw/zinc/95/87/36/1324958736.db2.gz BSHNAWDGZCQZNA-ZDUSSCGKSA-N -1 3 348.447 2.108 10 30 EEEEHM CC[C@@H]1CN(C(=O)C#CC(C)C)CC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298955604 1330137301 /nfs/dbraw/zinc/13/73/01/1330137301.db2.gz BOZOYJWNXHFIDF-WBVHZDCISA-N -1 3 342.439 2.409 10 30 EEEEHM CC(C)[C@@H](CC(F)(F)F)NCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001413981448 1339047115 /nfs/dbraw/zinc/04/71/15/1339047115.db2.gz QIJXFTCQHNZWGN-LLVKDONJSA-N -1 3 327.310 2.373 10 30 EEEEHM C=CCC1(C[N-]S(=O)(=O)c2c(C)nn3cccnc23)CCCC1 ZINC001561563627 1342528130 /nfs/dbraw/zinc/52/81/30/1342528130.db2.gz PIFSKGSGPOWSJQ-UHFFFAOYSA-N -1 3 334.445 2.453 10 30 EEEEHM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC001671458869 1356342169 /nfs/dbraw/zinc/34/21/69/1356342169.db2.gz HIMRDKXSYFEQOG-LBPRGKRZSA-N -1 3 347.267 2.369 10 30 EEEEHM C#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001688235033 1358861214 /nfs/dbraw/zinc/86/12/14/1358861214.db2.gz UZTBYXLYUHJLCZ-OAHLLOKOSA-N -1 3 328.412 2.259 10 30 EEEEHM COc1cccc2c1OCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920384627 770689869 /nfs/dbraw/zinc/68/98/69/770689869.db2.gz ZVCJJEKBPPJTCD-UHFFFAOYSA-N -1 3 346.408 2.301 10 30 EEEEHM C=CCO[N-]C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000843901461 788715147 /nfs/dbraw/zinc/71/51/47/788715147.db2.gz LARNSGDKTLWKDP-GFCCVEGCSA-N -1 3 328.409 2.372 10 30 EEEEHM C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001436495271 1088004654 /nfs/dbraw/zinc/00/46/54/1088004654.db2.gz ZONCZUBELBPTPH-ZDUSSCGKSA-N -1 3 338.839 2.170 10 30 EEEEHM N#CC[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(F)(F)F ZINC001471960900 1110536491 /nfs/dbraw/zinc/53/64/91/1110536491.db2.gz YWUUCDOMUIDXQP-SNVBAGLBSA-N -1 3 345.227 2.381 10 30 EEEEHM CC(C)C[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC1CC1 ZINC001500467221 1112854436 /nfs/dbraw/zinc/85/44/36/1112854436.db2.gz BSEOKZVAKUMTCD-HNNXBMFYSA-N -1 3 328.412 2.066 10 30 EEEEHM C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001514779993 1118870530 /nfs/dbraw/zinc/87/05/30/1118870530.db2.gz PGXDVZPVKYMKRK-LJISPDSOSA-N -1 3 330.428 2.475 10 30 EEEEHM CC(C)(C)C#CC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001533075865 1123064162 /nfs/dbraw/zinc/06/41/62/1123064162.db2.gz RTDYDMSHGWOLQY-GDBMZVCRSA-N -1 3 342.439 2.456 10 30 EEEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001536623746 1123747696 /nfs/dbraw/zinc/74/76/96/1123747696.db2.gz DDOJHWXFKDBWKK-WCSRMQSCSA-N -1 3 340.423 2.425 10 30 EEEEHM C=CCSCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000337740045 465550840 /nfs/dbraw/zinc/55/08/40/465550840.db2.gz KYORPTHAOICTRE-UHFFFAOYSA-N -1 3 349.861 2.324 10 30 EEEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000292766603 464335794 /nfs/dbraw/zinc/33/57/94/464335794.db2.gz PUWALZSNNADLHC-UHFFFAOYSA-N -1 3 328.390 2.484 10 30 EEEEHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435448577 467470676 /nfs/dbraw/zinc/47/06/76/467470676.db2.gz YDBWIDQFRRZRST-UHFFFAOYSA-N -1 3 326.374 2.246 10 30 EEEEHM N#CC1CCC(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000442582202 467576004 /nfs/dbraw/zinc/57/60/04/467576004.db2.gz IXNDQJRHRHKWAX-UHFFFAOYSA-N -1 3 326.356 2.022 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1CCCCO1 ZINC000594489388 468606883 /nfs/dbraw/zinc/60/68/83/468606883.db2.gz ZZUNVYQJKKUDNQ-KGLIPLIRSA-N -1 3 326.393 2.323 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790667 468685740 /nfs/dbraw/zinc/68/57/40/468685740.db2.gz WDSFONDOWJYFPQ-YPMHNXCESA-N -1 3 325.390 2.403 10 30 EEEEHM CCc1nc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cn1CC1CC1 ZINC000595336494 468816378 /nfs/dbraw/zinc/81/63/78/468816378.db2.gz ZGBAEJDWTPOPEW-JSGCOSHPSA-N -1 3 336.461 2.216 10 30 EEEEHM N#CCN1CCC[C@H](CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598686415 468958706 /nfs/dbraw/zinc/95/87/06/468958706.db2.gz BIGSUEDOOWEZHC-LLVKDONJSA-N -1 3 341.333 2.376 10 30 EEEEHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593525130 469016047 /nfs/dbraw/zinc/01/60/47/469016047.db2.gz JKRXYINPILVAOB-AWEZNQCLSA-N -1 3 349.481 2.071 10 30 EEEEHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593567420 469039674 /nfs/dbraw/zinc/03/96/74/469039674.db2.gz QZOINBFJQGWUJI-MRVPVSSYSA-N -1 3 325.415 2.307 10 30 EEEEHM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(C)C ZINC000593600166 469053435 /nfs/dbraw/zinc/05/34/35/469053435.db2.gz AOCBXBTXLNIAEA-FZMZJTMJSA-N -1 3 330.475 2.187 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)s1 ZINC000599379224 469235915 /nfs/dbraw/zinc/23/59/15/469235915.db2.gz FCEXSUNDTNNBHG-ZDUSSCGKSA-N -1 3 334.422 2.040 10 30 EEEEHM COC(=O)C(C)(C)n1cc(NC(=O)[N-]c2snc(C)c2C#N)cn1 ZINC000596903837 469403291 /nfs/dbraw/zinc/40/32/91/469403291.db2.gz GDBRRTLHWCZLEE-UHFFFAOYSA-N -1 3 348.388 2.072 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000628315142 470089879 /nfs/dbraw/zinc/08/98/79/470089879.db2.gz AKOFSLCLZAGMNH-GOSISDBHSA-N -1 3 329.400 2.073 10 30 EEEEHM C=C1CC(C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000632059910 470199157 /nfs/dbraw/zinc/19/91/57/470199157.db2.gz XJAWKWMSGNSZBY-UHFFFAOYSA-N -1 3 348.877 2.152 10 30 EEEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632183938 470206460 /nfs/dbraw/zinc/20/64/60/470206460.db2.gz JMUYKXDVYMNUTB-SECBINFHSA-N -1 3 325.356 2.462 10 30 EEEEHM C=CCCC1(C[N-]S(=O)(=O)c2cnn3c2OCCC3)CCCC1 ZINC000657064168 471955752 /nfs/dbraw/zinc/95/57/52/471955752.db2.gz CCDSJSZLNQDWKQ-UHFFFAOYSA-N -1 3 339.461 2.471 10 30 EEEEHM C#CCC1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CCCCC1 ZINC000291562419 526675586 /nfs/dbraw/zinc/67/55/86/526675586.db2.gz OCQHDAQERQOKLG-UHFFFAOYSA-N -1 3 341.411 2.495 10 30 EEEEHM Cc1cc(Cl)cc(CN=Nc2nccc(N3CCOCC3)n2)c1[O-] ZINC000774585774 577405376 /nfs/dbraw/zinc/40/53/76/577405376.db2.gz LDCWNXOVVSVFIU-UHFFFAOYSA-N -1 3 347.806 2.427 10 30 EEEEHM COc1ccc(C[N-]S(=O)(=O)c2cccnc2Cl)cc1C#N ZINC000746681226 577932438 /nfs/dbraw/zinc/93/24/38/577932438.db2.gz XZXXUPLBBJCRRR-UHFFFAOYSA-N -1 3 337.788 2.094 10 30 EEEEHM CS(=O)(=O)C1(C(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC000904195932 694325724 /nfs/dbraw/zinc/32/57/24/694325724.db2.gz MFHXQBPIEJQEHV-UHFFFAOYSA-N -1 3 325.430 2.194 10 30 EEEEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(Cl)c(C#N)s2)n1 ZINC001128833353 1195746184 /nfs/dbraw/zinc/74/61/84/1195746184.db2.gz DGAMFJUDOUVPNG-UHFFFAOYSA-N -1 3 326.725 2.045 10 30 EEEEHM C=CCOc1ccc(CC(=O)Nc2cc(C(=O)OCC)n[n-]2)cc1 ZINC001153263675 1316800663 /nfs/dbraw/zinc/80/06/63/1316800663.db2.gz CGLHNKASZGIIAQ-UHFFFAOYSA-N -1 3 329.356 2.332 10 30 EEEEHM C=CCOc1ccc(CC(=O)Nc2cc(C(=O)OCC)[n-]n2)cc1 ZINC001153263675 1316800667 /nfs/dbraw/zinc/80/06/67/1316800667.db2.gz CGLHNKASZGIIAQ-UHFFFAOYSA-N -1 3 329.356 2.332 10 30 EEEEHM C#CCCCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001284024286 1326367579 /nfs/dbraw/zinc/36/75/79/1326367579.db2.gz MJWRNYMSAONBTC-HNNXBMFYSA-N -1 3 328.412 2.307 10 30 EEEEHM CN(C[C@H]1CCN1C(=O)C#CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC001289934170 1328067902 /nfs/dbraw/zinc/06/79/02/1328067902.db2.gz PNQKJCQAYPWOMA-CQSZACIVSA-N -1 3 328.412 2.115 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001297916113 1330015857 /nfs/dbraw/zinc/01/58/57/1330015857.db2.gz IEJDYSGPKYAPEY-DOTOQJQBSA-N -1 3 342.439 2.409 10 30 EEEEHM C=CCCCC(=O)N[C@H](CNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001297978553 1330024824 /nfs/dbraw/zinc/02/48/24/1330024824.db2.gz XATZBKLYIPWVKG-OAHLLOKOSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001334295436 1336235424 /nfs/dbraw/zinc/23/54/24/1336235424.db2.gz RLKBMHISUKGLMH-LBPRGKRZSA-N -1 3 343.431 2.137 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001587924148 1348875114 /nfs/dbraw/zinc/87/51/14/1348875114.db2.gz IAPNVHOOTCQKDY-MRXNPFEDSA-N -1 3 335.363 2.119 10 30 EEEEHM C#CC[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)OC ZINC001626188320 1351270951 /nfs/dbraw/zinc/27/09/51/1351270951.db2.gz VTDBYWLDGUENMV-KRWDZBQOSA-N -1 3 337.375 2.278 10 30 EEEEHM N#CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001627033046 1352481021 /nfs/dbraw/zinc/48/10/21/1352481021.db2.gz RLYQMMLDWJDQAT-UHFFFAOYSA-N -1 3 330.275 2.395 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OCC ZINC001662024828 1354743480 /nfs/dbraw/zinc/74/34/80/1354743480.db2.gz ZNQCGUVQNZHEGA-ZDUSSCGKSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCC1(C(=O)NC2CCC(NCc3n[nH]c(=O)[n-]3)CC2)CCCC1 ZINC001662145482 1354754620 /nfs/dbraw/zinc/75/46/20/1354754620.db2.gz GDTDDSHEMLNEHE-UHFFFAOYSA-N -1 3 347.463 2.164 10 30 EEEEHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)CC(C)(C)C#N ZINC000919693550 770203244 /nfs/dbraw/zinc/20/32/44/770203244.db2.gz XCYQUSSQGMXAHA-UHFFFAOYSA-N -1 3 343.474 2.227 10 30 EEEEHM N#Cc1c(F)cc(CNC(=O)c2nnc3ccccc3c2[O-])cc1F ZINC000816504904 784074930 /nfs/dbraw/zinc/07/49/30/784074930.db2.gz HGKUWGBUFAQRDZ-UHFFFAOYSA-N -1 3 340.289 2.415 10 30 EEEEHM C=CCN1CCC(NC(=O)N[C@@H](CCCC(C)C)C(=O)[O-])CC1 ZINC000908947159 785869507 /nfs/dbraw/zinc/86/95/07/785869507.db2.gz ZTGGKYKENYLTPN-HNNXBMFYSA-N -1 3 325.453 2.216 10 30 EEEEHM C#CCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000825304755 788558392 /nfs/dbraw/zinc/55/83/92/788558392.db2.gz IQOBAUWZXJUAQC-UHFFFAOYSA-N -1 3 337.379 2.392 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCC1 ZINC000922046113 798748884 /nfs/dbraw/zinc/74/88/84/798748884.db2.gz MKHHQGAZWNOQPQ-UHFFFAOYSA-N -1 3 326.349 2.267 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000790100880 808410083 /nfs/dbraw/zinc/41/00/83/808410083.db2.gz ZZCNKCBWWXCAPT-WJHPISCYSA-N -1 3 328.416 2.342 10 30 EEEEHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)cc1 ZINC000791773404 809397529 /nfs/dbraw/zinc/39/75/29/809397529.db2.gz KJXIGGUVDKUKOP-GFCCVEGCSA-N -1 3 344.396 2.112 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn(CCF)n1 ZINC001438631720 1091115161 /nfs/dbraw/zinc/11/51/61/1091115161.db2.gz HKDIBYGGEIBQKI-UHFFFAOYSA-N -1 3 331.351 2.013 10 30 EEEEHM C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001450214479 1105289329 /nfs/dbraw/zinc/28/93/29/1105289329.db2.gz IOLWMBJUJGRAIL-ZDUSSCGKSA-N -1 3 329.400 2.101 10 30 EEEEHM C=CCCOCC(=O)N1CCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001508294202 1115475715 /nfs/dbraw/zinc/47/57/15/1115475715.db2.gz SNEMVBNWQFVZDT-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM C=C[C@H](C)[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001526115500 1120441332 /nfs/dbraw/zinc/44/13/32/1120441332.db2.gz UBKORFJIZNGZBT-AORAQPTISA-N -1 3 328.412 2.037 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N(C)C1CN(C(=O)c2ccccc2[O-])C1)OCC ZINC001536389287 1123702223 /nfs/dbraw/zinc/70/22/23/1123702223.db2.gz WPNQAJSFLRSNHA-QGZVFWFLSA-N -1 3 346.427 2.046 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000130268089 205231677 /nfs/dbraw/zinc/23/16/77/205231677.db2.gz QVDRFZKDZRJKRA-UHFFFAOYSA-N -1 3 349.390 2.171 10 30 EEEEHM Cc1c(C#N)cccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000359774126 164168958 /nfs/dbraw/zinc/16/89/58/164168958.db2.gz LXWOSXJCXZHOGJ-UHFFFAOYSA-N -1 3 336.351 2.015 10 30 EEEEHM COc1ccc(OC)c(S(=O)(=O)[N-]/N=C/c2cccs2)c1 ZINC000006736253 462700738 /nfs/dbraw/zinc/70/07/38/462700738.db2.gz PFKMYGFLPKLTEA-NTEUORMPSA-N -1 3 326.399 2.078 10 30 EEEEHM C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973020 463676152 /nfs/dbraw/zinc/67/61/52/463676152.db2.gz CYOAHOVCVVBYSW-JTQLQIEISA-N -1 3 325.328 2.471 10 30 EEEEHM C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973020 463676153 /nfs/dbraw/zinc/67/61/53/463676153.db2.gz CYOAHOVCVVBYSW-JTQLQIEISA-N -1 3 325.328 2.471 10 30 EEEEHM C[C@H](NC(=O)c1ccccc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973020 463676158 /nfs/dbraw/zinc/67/61/58/463676158.db2.gz CYOAHOVCVVBYSW-JTQLQIEISA-N -1 3 325.328 2.471 10 30 EEEEHM N#CC1CCC(CNC(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000331276536 466008284 /nfs/dbraw/zinc/00/82/84/466008284.db2.gz QZDCECVHLWSVAG-UHFFFAOYSA-N -1 3 330.314 2.157 10 30 EEEEHM N#CC1CCC(CNC(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000331276536 466008293 /nfs/dbraw/zinc/00/82/93/466008293.db2.gz QZDCECVHLWSVAG-UHFFFAOYSA-N -1 3 330.314 2.157 10 30 EEEEHM N#CC1CCC(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000331276536 466008299 /nfs/dbraw/zinc/00/82/99/466008299.db2.gz QZDCECVHLWSVAG-UHFFFAOYSA-N -1 3 330.314 2.157 10 30 EEEEHM C=C(C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000427958605 467188209 /nfs/dbraw/zinc/18/82/09/467188209.db2.gz UTXRBGZBNUCXOY-UHFFFAOYSA-N -1 3 340.426 2.126 10 30 EEEEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000420734267 467467781 /nfs/dbraw/zinc/46/77/81/467467781.db2.gz VTZNVCNHAXVPCW-VXGBXAGGSA-N -1 3 328.821 2.448 10 30 EEEEHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000440058591 467569120 /nfs/dbraw/zinc/56/91/20/467569120.db2.gz CNENJEDGHGJPQO-AWEZNQCLSA-N -1 3 328.409 2.178 10 30 EEEEHM N#CC(=C([O-])c1ccnc2ccncc21)c1nnc2n1CCCCC2 ZINC000551179608 468234242 /nfs/dbraw/zinc/23/42/42/468234242.db2.gz GZWBFJITIUFCGQ-CYBMUJFWSA-N -1 3 332.367 2.438 10 30 EEEEHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(C#N)CC3(CC3)C2)ccc1F ZINC000600982956 468706883 /nfs/dbraw/zinc/70/68/83/468706883.db2.gz FWKSRJCCIDJZPR-UHFFFAOYSA-N -1 3 337.376 2.220 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000595209341 468784821 /nfs/dbraw/zinc/78/48/21/468784821.db2.gz ARMGOHFMINRZNI-TXEJJXNPSA-N -1 3 348.424 2.491 10 30 EEEEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(F)F ZINC000595351620 468821655 /nfs/dbraw/zinc/82/16/55/468821655.db2.gz IVAODIMNLNYKTJ-LLVKDONJSA-N -1 3 345.327 2.036 10 30 EEEEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H](C)O1 ZINC000601498648 468894668 /nfs/dbraw/zinc/89/46/68/468894668.db2.gz BNUHRFRTSYJMGM-PTRXPTGYSA-N -1 3 348.346 2.421 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)CCC1 ZINC000564447743 469253604 /nfs/dbraw/zinc/25/36/04/469253604.db2.gz VDUCKVNRVXCEDR-LBPRGKRZSA-N -1 3 338.454 2.153 10 30 EEEEHM CCOC(=O)c1sc([N-]C(=O)c2nccc(C)n2)c(C#N)c1C ZINC000619270100 469565730 /nfs/dbraw/zinc/56/57/30/469565730.db2.gz MRJKLLDDYVCXHV-UHFFFAOYSA-N -1 3 330.369 2.456 10 30 EEEEHM N#CC1(C[C@H](O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000625231077 470099592 /nfs/dbraw/zinc/09/95/92/470099592.db2.gz FUFKZBRWAPXYJI-KRWDZBQOSA-N -1 3 328.412 2.342 10 30 EEEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632575692 470247470 /nfs/dbraw/zinc/24/74/70/470247470.db2.gz XVYSHOWFVPXVOE-UHFFFAOYSA-N -1 3 325.356 2.462 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000633965301 470652026 /nfs/dbraw/zinc/65/20/26/470652026.db2.gz OACKZRLCUPQDSI-IBGZPJMESA-N -1 3 343.427 2.463 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)[C@@H]1CCCO1 ZINC000773060360 577313394 /nfs/dbraw/zinc/31/33/94/577313394.db2.gz ZVGCMPUHRTWRPY-OLZOCXBDSA-N -1 3 331.796 2.247 10 30 EEEEHM C[C@@H](Cn1ncc2ccccc2c1=O)/N=C\c1ccc(O)c([O-])c1O ZINC000763276994 577718351 /nfs/dbraw/zinc/71/83/51/577718351.db2.gz WYHRPFJQHHPVCS-VDZJHUJMSA-N -1 3 339.351 2.021 10 30 EEEEHM C=CC(C)(C)CCCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000896287798 684929124 /nfs/dbraw/zinc/92/91/24/684929124.db2.gz VPNWVHRYLDJKJH-CYBMUJFWSA-N -1 3 333.436 2.053 10 30 EEEEHM C=CCC(C)(C)C(=O)NCCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001690980645 1176415815 /nfs/dbraw/zinc/41/58/15/1176415815.db2.gz OSUQUTKGICDOFA-UHFFFAOYSA-N -1 3 332.448 2.210 10 30 EEEEHM C=CCCC(=O)NC1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC001268260479 1182092101 /nfs/dbraw/zinc/09/21/01/1182092101.db2.gz XPTWNFHGOWHLQT-UHFFFAOYSA-N -1 3 338.411 2.116 10 30 EEEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000882848884 1201956689 /nfs/dbraw/zinc/95/66/89/1201956689.db2.gz UCPLECYTJWQCGB-SNVBAGLBSA-N -1 3 341.326 2.450 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCOCC1 ZINC000885838737 1202446280 /nfs/dbraw/zinc/44/62/80/1202446280.db2.gz PSVANUZBMLEEKX-UHFFFAOYSA-N -1 3 331.796 2.330 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)CCCCC1 ZINC001190337869 1280826816 /nfs/dbraw/zinc/82/68/16/1280826816.db2.gz WDUBEOHPVRXFJH-UHFFFAOYSA-N -1 3 341.433 2.062 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001488256776 1287119251 /nfs/dbraw/zinc/11/92/51/1287119251.db2.gz CJBGHMYFVZWVGW-HOCLYGCPSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CC1(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C)CCCCC1 ZINC001281144125 1324790655 /nfs/dbraw/zinc/79/06/55/1324790655.db2.gz DIJMXIWLQRPFTC-UONOGXRCSA-N -1 3 345.447 2.051 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001282097241 1325622169 /nfs/dbraw/zinc/62/21/69/1325622169.db2.gz CNRVSTLWTYYTKK-LSDHHAIUSA-N -1 3 342.439 2.456 10 30 EEEEHM CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001283366014 1326032040 /nfs/dbraw/zinc/03/20/40/1326032040.db2.gz COBGHYWUKNPTGK-AWEZNQCLSA-N -1 3 328.412 2.115 10 30 EEEEHM CCCC[C@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)C ZINC001286078711 1327279048 /nfs/dbraw/zinc/27/90/48/1327279048.db2.gz ZQJUZRZWDDTQRE-OAHLLOKOSA-N -1 3 330.428 2.456 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC001298425680 1330076953 /nfs/dbraw/zinc/07/69/53/1330076953.db2.gz LAIOGBYHSUTQGF-SECBINFHSA-N -1 3 325.777 2.117 10 30 EEEEHM C#CCCCC(=O)N1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001572415564 1343484639 /nfs/dbraw/zinc/48/46/39/1343484639.db2.gz URAFHEBWSNYBSW-FXAWDEMLSA-N -1 3 340.423 2.449 10 30 EEEEHM C=CCCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001578079167 1344232011 /nfs/dbraw/zinc/23/20/11/1344232011.db2.gz LVNPMTLLMMAXNK-INIZCTEOSA-N -1 3 328.412 2.469 10 30 EEEEHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001597114797 1349918651 /nfs/dbraw/zinc/91/86/51/1349918651.db2.gz FHSRFZWMHKZSAG-RMKNXTFCSA-N -1 3 337.314 2.227 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)nn1 ZINC001622441373 1352383330 /nfs/dbraw/zinc/38/33/30/1352383330.db2.gz KBWSELJDTDMMFH-UHFFFAOYSA-N -1 3 344.799 2.125 10 30 EEEEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CCCCC#N)s1 ZINC001624411422 1352420811 /nfs/dbraw/zinc/42/08/11/1352420811.db2.gz LIGGTEQQKQZPAH-UHFFFAOYSA-N -1 3 344.462 2.242 10 30 EEEEHM CCSc1nc(C)c([C@H](CC)C(=O)N[C@H]2CCN([O-])C2=O)s1 ZINC001628370208 1352532070 /nfs/dbraw/zinc/53/20/70/1352532070.db2.gz LELWHKBDFGDBKY-UWVGGRQHSA-N -1 3 343.474 2.163 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@H](C)CC(C)(C)C)n1 ZINC001656646868 1354255973 /nfs/dbraw/zinc/25/59/73/1354255973.db2.gz LAWUOSZXOZLADM-AWEZNQCLSA-N -1 3 346.475 2.374 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OC ZINC001656973389 1354306136 /nfs/dbraw/zinc/30/61/36/1354306136.db2.gz CMNDFPKSCWEMCU-LLVKDONJSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCCCC(=O)N(C)[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001665660261 1355351034 /nfs/dbraw/zinc/35/10/34/1355351034.db2.gz ZEJIHZZCUHYJGT-INIZCTEOSA-N -1 3 344.459 2.449 10 30 EEEEHM C=CCCCC(=O)N[C@@H]1CCCCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001685143373 1358310309 /nfs/dbraw/zinc/31/03/09/1358310309.db2.gz UXWHDIBUXJWEIA-CQSZACIVSA-N -1 3 346.431 2.040 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccccc1 ZINC001212292817 775202155 /nfs/dbraw/zinc/20/21/55/775202155.db2.gz YOTWBOJGWPIPDT-CYBMUJFWSA-N -1 3 333.365 2.027 10 30 EEEEHM C=CCCC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908756394 785702493 /nfs/dbraw/zinc/70/24/93/785702493.db2.gz IJKIVPFZTKESJA-DLBZAZTESA-N -1 3 345.443 2.370 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2ccccc2cc1OC(F)F ZINC000820179742 785823776 /nfs/dbraw/zinc/82/37/76/785823776.db2.gz PLDAUDKNDZNWHN-LBPRGKRZSA-N -1 3 336.294 2.161 10 30 EEEEHM COc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)cc1F ZINC000916669315 797750678 /nfs/dbraw/zinc/75/06/78/797750678.db2.gz HCDVWVRNGZEJFW-UHFFFAOYSA-N -1 3 330.356 2.336 10 30 EEEEHM O=S1(=O)CC(CC/N=C/c2cc(Br)ccc2[O-])C1 ZINC000787137345 807015036 /nfs/dbraw/zinc/01/50/36/807015036.db2.gz HACLVBLFHVUPIH-MKMNVTDBSA-N -1 3 332.219 2.008 10 30 EEEEHM C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001494323663 1103896946 /nfs/dbraw/zinc/89/69/46/1103896946.db2.gz URNYWQCNJBOLLN-AWEZNQCLSA-N -1 3 344.459 2.352 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001468374837 1110473409 /nfs/dbraw/zinc/47/34/09/1110473409.db2.gz YPQYDSYFYGSQDU-CQSZACIVSA-N -1 3 347.758 2.247 10 30 EEEEHM C=C(Cl)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001474991581 1110604251 /nfs/dbraw/zinc/60/42/51/1110604251.db2.gz UDOSXZSNZAFUQG-UHFFFAOYSA-N -1 3 327.749 2.174 10 30 EEEEHM C#CCCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001511143443 1117964772 /nfs/dbraw/zinc/96/47/72/1117964772.db2.gz KUKJPKPMNAINDL-ZBFHGGJFSA-N -1 3 328.412 2.305 10 30 EEEEHM C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001567857218 1124142000 /nfs/dbraw/zinc/14/20/00/1124142000.db2.gz WRWBBOCENNADAQ-HOTGVXAUSA-N -1 3 342.443 2.201 10 30 EEEEHM C#CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000267048886 201222162 /nfs/dbraw/zinc/22/21/62/201222162.db2.gz NLIHHSQPWPFDLE-UHFFFAOYSA-N -1 3 336.196 2.082 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC000451589296 243168309 /nfs/dbraw/zinc/16/83/09/243168309.db2.gz IFJZJHHVRBNYJW-CQSZACIVSA-N -1 3 331.372 2.448 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(Cl)c1 ZINC000451731917 243234279 /nfs/dbraw/zinc/23/42/79/243234279.db2.gz CGXYIGNCRFFCMG-UHFFFAOYSA-N -1 3 332.784 2.009 10 30 EEEEHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000451737659 243235782 /nfs/dbraw/zinc/23/57/82/243235782.db2.gz QOPHYJAFARLUCH-UWVGGRQHSA-N -1 3 329.403 2.325 10 30 EEEEHM Cc1cc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)on1 ZINC000352645474 162225777 /nfs/dbraw/zinc/22/57/77/162225777.db2.gz MFVPZJKHSGPYMT-UHFFFAOYSA-N -1 3 325.777 2.029 10 30 EEEEHM Cc1nc(C2(NC(=O)CN3CC(=O)[N-]C3=O)CCCCCC2)no1 ZINC000329233903 465275004 /nfs/dbraw/zinc/27/50/04/465275004.db2.gz MHBOFCJQTYLOLX-UHFFFAOYSA-N -1 3 335.364 2.276 10 30 EEEEHM CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184975628 463728335 /nfs/dbraw/zinc/72/83/35/463728335.db2.gz YGDXEBUOJGSBCW-RISCZKNCSA-N -1 3 341.864 2.219 10 30 EEEEHM CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000246092607 464543979 /nfs/dbraw/zinc/54/39/79/464543979.db2.gz KEFDRXCAUYGYOY-BXUZGUMPSA-N -1 3 341.864 2.219 10 30 EEEEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1 ZINC000282500850 464842992 /nfs/dbraw/zinc/84/29/92/464842992.db2.gz KHWODUSTYQRWIU-UHFFFAOYSA-N -1 3 342.442 2.143 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)Nc1ccccc1 ZINC000352862773 465561466 /nfs/dbraw/zinc/56/14/66/465561466.db2.gz QBBNBJPDXGSKRM-ZDUSSCGKSA-N -1 3 335.429 2.017 10 30 EEEEHM C=CCOc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000344201296 465594602 /nfs/dbraw/zinc/59/46/02/465594602.db2.gz XLYQSILABIXYLA-UHFFFAOYSA-N -1 3 329.404 2.332 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000376383805 466908770 /nfs/dbraw/zinc/90/87/70/466908770.db2.gz KWBXYHODOVXLOC-INIZCTEOSA-N -1 3 348.468 2.050 10 30 EEEEHM C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1F ZINC000428410249 467229849 /nfs/dbraw/zinc/22/98/49/467229849.db2.gz OTUWRFLQWYKJIM-JTQLQIEISA-N -1 3 337.351 2.313 10 30 EEEEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccccc1F ZINC000582550903 468556661 /nfs/dbraw/zinc/55/66/61/468556661.db2.gz GDPXDFAYOMZEJC-RISCZKNCSA-N -1 3 328.409 2.107 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000594789562 468686241 /nfs/dbraw/zinc/68/62/41/468686241.db2.gz NIKVKRWSSGNLMR-CHWSQXEVSA-N -1 3 338.429 2.281 10 30 EEEEHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000594810054 468694242 /nfs/dbraw/zinc/69/42/42/468694242.db2.gz SJSVCAVDSMXPPZ-UHFFFAOYSA-N -1 3 330.475 2.475 10 30 EEEEHM COC(=O)C1(CS(=O)(=O)[N-]CC2(C#N)CCCCC2)CCCC1 ZINC000594883460 468715658 /nfs/dbraw/zinc/71/56/58/468715658.db2.gz CKORUSQWXVRXRV-UHFFFAOYSA-N -1 3 342.461 2.113 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OC ZINC000601503148 468897955 /nfs/dbraw/zinc/89/79/55/468897955.db2.gz YHSNUSQZTVMJHZ-VIFPVBQESA-N -1 3 337.850 2.496 10 30 EEEEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000593563030 469037414 /nfs/dbraw/zinc/03/74/14/469037414.db2.gz KKOHCCLXTNHVDZ-JTQLQIEISA-N -1 3 334.401 2.219 10 30 EEEEHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593567476 469039152 /nfs/dbraw/zinc/03/91/52/469039152.db2.gz PIXHYKRYHRVILY-ZDUSSCGKSA-N -1 3 333.438 2.085 10 30 EEEEHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593568043 469039987 /nfs/dbraw/zinc/03/99/87/469039987.db2.gz TXHXFFFEPBOIEH-YGRLFVJLSA-N -1 3 342.442 2.020 10 30 EEEEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000611026104 469143200 /nfs/dbraw/zinc/14/32/00/469143200.db2.gz WIHQDFVRUWHZPE-UHFFFAOYSA-N -1 3 349.387 2.012 10 30 EEEEHM C=CC(C)(C)CCNC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000624466205 469945890 /nfs/dbraw/zinc/94/58/90/469945890.db2.gz NGTPDKPXEVSCOD-UHFFFAOYSA-N -1 3 345.490 2.058 10 30 EEEEHM C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000646142939 470542043 /nfs/dbraw/zinc/54/20/43/470542043.db2.gz FTRPDYUPCXSGTN-ARFHVFGLSA-N -1 3 337.464 2.238 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H]2CCCN(c3ccccc3)C2=O)c1[O-] ZINC000733903643 577263469 /nfs/dbraw/zinc/26/34/69/577263469.db2.gz NPBJWTPKIMETIZ-QREGZJMFSA-N -1 3 339.395 2.202 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCCC(C)(C)[C@@H]1C#N ZINC000769893428 577586648 /nfs/dbraw/zinc/58/66/48/577586648.db2.gz OLRVIMQIDRTNFI-ZFWWWQNUSA-N -1 3 329.448 2.229 10 30 EEEEHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1C#N ZINC000746679859 577932459 /nfs/dbraw/zinc/93/24/59/577932459.db2.gz DBFVMURWHCRMJE-UHFFFAOYSA-N -1 3 338.335 2.324 10 30 EEEEHM C=CCC1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1 ZINC000895230199 684312360 /nfs/dbraw/zinc/31/23/60/684312360.db2.gz AALCOTQETMFKER-CQSZACIVSA-N -1 3 345.447 2.197 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCCN(CCC)C(=O)c1c(C)nc[n-]c1=O ZINC001745480315 1181931323 /nfs/dbraw/zinc/93/13/23/1181931323.db2.gz ZCKKFIJKZKYZKY-GOSISDBHSA-N -1 3 348.447 2.061 10 30 EEEEHM Cc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1C#N ZINC000812383830 1200686317 /nfs/dbraw/zinc/68/63/17/1200686317.db2.gz AZSDTWYZTCQCNG-UHFFFAOYSA-N -1 3 336.351 2.015 10 30 EEEEHM C#CCC1(O)CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000882530597 1201890437 /nfs/dbraw/zinc/89/04/37/1201890437.db2.gz IQUTVONSUPKPAI-UHFFFAOYSA-N -1 3 338.201 2.145 10 30 EEEEHM N#Cc1ccc(C2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)nc1 ZINC001412362525 1205705330 /nfs/dbraw/zinc/70/53/30/1205705330.db2.gz FZGIWPNOXGSKAH-UHFFFAOYSA-N -1 3 349.394 2.346 10 30 EEEEHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000867430615 1289918983 /nfs/dbraw/zinc/91/89/83/1289918983.db2.gz AAFJLFPDJXJYOM-JGVFFNPUSA-N -1 3 342.833 2.315 10 30 EEEEHM C=CCC1(C(=O)N2CCCCC[C@H](NC(=O)c3cn[n-]n3)C2)CCC1 ZINC001282319428 1325690596 /nfs/dbraw/zinc/69/05/96/1325690596.db2.gz UIAMNZLNIRAJGP-AWEZNQCLSA-N -1 3 345.447 2.052 10 30 EEEEHM C=C[C@H](CC)CC(=O)N[C@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001284434038 1326553663 /nfs/dbraw/zinc/55/36/63/1326553663.db2.gz VRAOXPGOGORNJY-CHWSQXEVSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@]1(NC(=O)c2cn[n-]n2)CCCC[C@H]1C ZINC001285152800 1326891738 /nfs/dbraw/zinc/89/17/38/1326891738.db2.gz UYAYAOGIZVBQHC-FZKQIMNGSA-N -1 3 347.463 2.202 10 30 EEEEHM C#CCCCC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001288196574 1327659640 /nfs/dbraw/zinc/65/96/40/1327659640.db2.gz WVARPIBUDIAJKO-INIZCTEOSA-N -1 3 330.428 2.456 10 30 EEEEHM C#CCC1(C(=O)N(C)CCCNC(=O)c2ccccc2[O-])CCC1 ZINC001492276869 1331133517 /nfs/dbraw/zinc/13/35/17/1331133517.db2.gz FRFJEQQHUCZXEO-UHFFFAOYSA-N -1 3 328.412 2.164 10 30 EEEEHM CCN(CCNCC#Cc1ccc(F)cc1)C(=O)c1ncccc1[O-] ZINC001320715994 1332939807 /nfs/dbraw/zinc/93/98/07/1332939807.db2.gz COWQXWRZFLYOLF-UHFFFAOYSA-N -1 3 341.386 2.030 10 30 EEEEHM CN(C(=O)c1ccccc1[O-])[C@@H](CNC(=O)C#CC(C)(C)C)C1CC1 ZINC001336865970 1336606768 /nfs/dbraw/zinc/60/67/68/1336606768.db2.gz JSWGZOWVPXYJQX-INIZCTEOSA-N -1 3 342.439 2.409 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)CCOC(C)(C)C ZINC001339091073 1336957473 /nfs/dbraw/zinc/95/74/73/1336957473.db2.gz KOJHBEVJPLFNFP-UHFFFAOYSA-N -1 3 339.831 2.154 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)CCOC(C)(C)C ZINC001339091073 1336957475 /nfs/dbraw/zinc/95/74/75/1336957475.db2.gz KOJHBEVJPLFNFP-UHFFFAOYSA-N -1 3 339.831 2.154 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N(C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001351524821 1337822587 /nfs/dbraw/zinc/82/25/87/1337822587.db2.gz YYHRXKSWZFFSBI-GOSISDBHSA-N -1 3 343.431 2.139 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccccc1 ZINC001622280822 1352380819 /nfs/dbraw/zinc/38/08/19/1352380819.db2.gz UQGRIZORBJCNCN-ZDUSSCGKSA-N -1 3 349.433 2.496 10 30 EEEEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C#N)cc1C ZINC001435934304 1342004852 /nfs/dbraw/zinc/00/48/52/1342004852.db2.gz WNEKSJABJVNMHU-UHFFFAOYSA-N -1 3 341.323 2.020 10 30 EEEEHM Cc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1NC(=O)OC(C)(C)C ZINC001556750291 1342434108 /nfs/dbraw/zinc/43/41/08/1342434108.db2.gz FZQBRBZJCKNKJR-LBPRGKRZSA-N -1 3 349.387 2.062 10 30 EEEEHM C=CCOc1ccc(CC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001651734903 1354062827 /nfs/dbraw/zinc/06/28/27/1354062827.db2.gz DHWHMNHCLFGAHQ-UHFFFAOYSA-N -1 3 339.395 2.483 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001684048985 1358214935 /nfs/dbraw/zinc/21/49/35/1358214935.db2.gz NMYMWMUMWAIZPY-HNNXBMFYSA-N -1 3 328.412 2.259 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000816690396 784197031 /nfs/dbraw/zinc/19/70/31/784197031.db2.gz QOKNWYGFQXKMJF-JTQLQIEISA-N -1 3 337.788 2.183 10 30 EEEEHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC000907039382 784343263 /nfs/dbraw/zinc/34/32/63/784343263.db2.gz PQJZXLZNMWVZIQ-ZCFIWIBFSA-N -1 3 343.211 2.206 10 30 EEEEHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC000907039381 784343421 /nfs/dbraw/zinc/34/34/21/784343421.db2.gz PQJZXLZNMWVZIQ-LURJTMIESA-N -1 3 343.211 2.206 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000820178967 785824184 /nfs/dbraw/zinc/82/41/84/785824184.db2.gz CKCJNUSNUYVKRS-CQSZACIVSA-N -1 3 337.335 2.215 10 30 EEEEHM CN1CCC(C#N)(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001136630591 787384012 /nfs/dbraw/zinc/38/40/12/787384012.db2.gz UGWYSRPXHVRYBY-UHFFFAOYSA-N -1 3 327.306 2.129 10 30 EEEEHM Cc1nc([N-]C(=O)c2nc(Cl)cs2)n(-c2ccc(C#N)cc2)n1 ZINC000790921289 808975809 /nfs/dbraw/zinc/97/58/09/808975809.db2.gz FBHLBYUUINBBDJ-UHFFFAOYSA-N -1 3 344.787 2.232 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc2cc(Br)ccc2c1 ZINC001450157936 1105250441 /nfs/dbraw/zinc/25/04/41/1105250441.db2.gz OPYNHCULUSXJRO-ZDUSSCGKSA-N -1 3 349.184 2.322 10 30 EEEEHM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1c[n-]c2ccccc2c1=O ZINC001452948029 1105807012 /nfs/dbraw/zinc/80/70/12/1105807012.db2.gz OOXALYIFFFUGCC-SFHVURJKSA-N -1 3 347.374 2.205 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001515689886 1118982145 /nfs/dbraw/zinc/98/21/45/1118982145.db2.gz CYWMAEKVMFTTHS-CALCHBBNSA-N -1 3 345.403 2.078 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001533103170 1123080837 /nfs/dbraw/zinc/08/08/37/1123080837.db2.gz LQUGNUKKFFCINK-ZBFHGGJFSA-N -1 3 342.439 2.456 10 30 EEEEHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001535579559 1123579989 /nfs/dbraw/zinc/57/99/89/1123579989.db2.gz QWKRBWYDGRWUJW-UHFFFAOYSA-N -1 3 349.350 2.339 10 30 EEEEHM C#CCOc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC001569241577 1125188132 /nfs/dbraw/zinc/18/81/32/1125188132.db2.gz VPFNSRFHHFFAPW-UHFFFAOYSA-N -1 3 333.347 2.277 10 30 EEEEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCCO)cc1Cl ZINC000052299992 214125339 /nfs/dbraw/zinc/12/53/39/214125339.db2.gz QKTFZBCZTCIVJE-NOZJJQNGSA-N -1 3 348.251 2.414 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000125260378 292295249 /nfs/dbraw/zinc/29/52/49/292295249.db2.gz WVCNMTNLLXGIOV-ZDUSSCGKSA-N -1 3 336.438 2.249 10 30 EEEEHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344778621 161245082 /nfs/dbraw/zinc/24/50/82/161245082.db2.gz VETHMUGSCKQJSC-ZDUSSCGKSA-N -1 3 336.344 2.265 10 30 EEEEHM CCC[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCOC1 ZINC000352346040 162097051 /nfs/dbraw/zinc/09/70/51/162097051.db2.gz PUUMRJVQXHYBCE-AWEZNQCLSA-N -1 3 328.821 2.449 10 30 EEEEHM COc1cc(C[N-]S(=O)(=O)c2cc(F)ccc2F)ccc1C#N ZINC000352725274 162261523 /nfs/dbraw/zinc/26/15/23/162261523.db2.gz JGSAFAMZPYHXIY-UHFFFAOYSA-N -1 3 338.335 2.324 10 30 EEEEHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000296040894 269953657 /nfs/dbraw/zinc/95/36/57/269953657.db2.gz OAWZMSNTFJGPNS-UHFFFAOYSA-N -1 3 349.387 2.184 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1C#N ZINC000341401660 465147649 /nfs/dbraw/zinc/14/76/49/465147649.db2.gz CXFNFXOFNOXBHQ-RYUDHWBXSA-N -1 3 348.472 2.373 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCOc2ccccc21 ZINC000178498019 463911559 /nfs/dbraw/zinc/91/15/59/463911559.db2.gz JBYATKGAWUBDPN-CQSZACIVSA-N -1 3 332.356 2.499 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000186657083 464043612 /nfs/dbraw/zinc/04/36/12/464043612.db2.gz VSKCFPQGZBEWNQ-SECBINFHSA-N -1 3 327.299 2.060 10 30 EEEEHM Cc1nsc(N2CCN(Cc3nc(C)ccc3[O-])CC2)c1C#N ZINC000291526025 464156014 /nfs/dbraw/zinc/15/60/14/464156014.db2.gz JQJIBGAUBMVJPK-UHFFFAOYSA-N -1 3 329.429 2.054 10 30 EEEEHM COc1cc(CNCCOc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[O-] ZINC000174559798 464423198 /nfs/dbraw/zinc/42/31/98/464423198.db2.gz YMOXEPJSZRFNFJ-UHFFFAOYSA-N -1 3 343.339 2.349 10 30 EEEEHM CCc1noc(C)c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000294065234 464431801 /nfs/dbraw/zinc/43/18/01/464431801.db2.gz QXKQVYNZOUABAV-UHFFFAOYSA-N -1 3 342.399 2.384 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000294946078 464657830 /nfs/dbraw/zinc/65/78/30/464657830.db2.gz PVPREXZCWULSKQ-CYBMUJFWSA-N -1 3 326.318 2.254 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)o1 ZINC000351898421 465428532 /nfs/dbraw/zinc/42/85/32/465428532.db2.gz PQHADZPVMGCTDL-UHFFFAOYSA-N -1 3 342.380 2.328 10 30 EEEEHM C=CC[C@H](C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000298929822 465543779 /nfs/dbraw/zinc/54/37/79/465543779.db2.gz MTOQXLMXZIZNJQ-CABCVRRESA-N -1 3 326.400 2.164 10 30 EEEEHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Cc1ccccc1 ZINC000451670599 467265535 /nfs/dbraw/zinc/26/55/35/467265535.db2.gz JRPAXXSUACVMBN-MRXNPFEDSA-N -1 3 336.457 2.247 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)c1 ZINC000594867198 468712013 /nfs/dbraw/zinc/71/20/13/468712013.db2.gz ZIMGKBIXJXUDMX-UHFFFAOYSA-N -1 3 340.832 2.041 10 30 EEEEHM C=CCOCC(=O)Nc1cc(I)ccc1[O-] ZINC000610491097 468984462 /nfs/dbraw/zinc/98/44/62/468984462.db2.gz ROQQMZUWNYEIEJ-UHFFFAOYSA-N -1 3 333.125 2.138 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000593566111 469038506 /nfs/dbraw/zinc/03/85/06/469038506.db2.gz MNXOFWLTANHNQO-SECBINFHSA-N -1 3 330.431 2.018 10 30 EEEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1(CO)CCCC1 ZINC000593604587 469055809 /nfs/dbraw/zinc/05/58/09/469055809.db2.gz BKCPTLCTHSTMNX-CQSZACIVSA-N -1 3 342.486 2.475 10 30 EEEEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000610759090 469063778 /nfs/dbraw/zinc/06/37/78/469063778.db2.gz FCUJHXDZWJANCR-UHFFFAOYSA-N -1 3 349.387 2.012 10 30 EEEEHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccnc(C#N)c2)c1[O-] ZINC000588096915 469115738 /nfs/dbraw/zinc/11/57/38/469115738.db2.gz QQNOMEIQDFPYSL-UHFFFAOYSA-N -1 3 331.715 2.351 10 30 EEEEHM Cc1cc(C(C#N)=C([O-])c2ccnn2C2CCOCC2)nc(C)n1 ZINC000659025906 471472954 /nfs/dbraw/zinc/47/29/54/471472954.db2.gz VWTCEXCXXSEJGK-CQSZACIVSA-N -1 3 325.372 2.132 10 30 EEEEHM C#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000765443699 577501205 /nfs/dbraw/zinc/50/12/05/577501205.db2.gz GDCLNIFRDGMIQB-UHFFFAOYSA-N -1 3 336.344 2.135 10 30 EEEEHM O=C1c2ccccc2C(=O)N1CC=NNc1nc(=O)c2ccccc2[n-]1 ZINC000755767608 577830708 /nfs/dbraw/zinc/83/07/08/577830708.db2.gz YRJLJBPHNGIXGF-UHFFFAOYSA-N -1 3 347.334 2.029 10 30 EEEEHM Cc1cc(CN[C@@H]2CCCN([O-])C2=O)c(Br)cc1F ZINC000895158093 684146291 /nfs/dbraw/zinc/14/62/91/684146291.db2.gz WJZYEVRPDXPBSP-GFCCVEGCSA-N -1 3 331.185 2.366 10 30 EEEEHM C#CCCOc1ccc(CN[C@H](C)c2nnc(C(=O)OCC)[n-]2)cc1 ZINC000895237828 684343390 /nfs/dbraw/zinc/34/33/90/684343390.db2.gz WUYWWDOZEIINKX-CYBMUJFWSA-N -1 3 342.399 2.234 10 30 EEEEHM CCCCCCN([O-])C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000904207146 694322127 /nfs/dbraw/zinc/32/21/27/694322127.db2.gz RXLHURMSEAPUGP-JTQLQIEISA-N -1 3 345.490 2.450 10 30 EEEEHM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N([O-])Cc1ccccc1Cl ZINC000904192885 694324215 /nfs/dbraw/zinc/32/42/15/694324215.db2.gz ZIPWPQOGISKYMX-XYYAHUGASA-N -1 3 343.832 2.414 10 30 EEEEHM NC(=O)c1ccccc1NCC(=O)N([O-])Cc1ccccc1Cl ZINC001649046207 1193494020 /nfs/dbraw/zinc/49/40/20/1193494020.db2.gz MXTAFPKYKAKFHT-UHFFFAOYSA-N -1 3 333.775 2.269 10 30 EEEEHM COC(=O)c1nc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cs1 ZINC001361454900 1190547613 /nfs/dbraw/zinc/54/76/13/1190547613.db2.gz NDXHFEFGMWSKSJ-UHFFFAOYSA-N -1 3 333.373 2.005 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)C(=O)OCC ZINC000882645021 1201912770 /nfs/dbraw/zinc/91/27/70/1201912770.db2.gz HURMHLYGACRDPK-QWRGUYRKSA-N -1 3 345.383 2.392 10 30 EEEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000882848768 1201956840 /nfs/dbraw/zinc/95/68/40/1201956840.db2.gz QOXRRUCGVHPABK-JTQLQIEISA-N -1 3 341.326 2.450 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001489408457 1290556199 /nfs/dbraw/zinc/55/61/99/1290556199.db2.gz DLEYUKUIKNETBN-DLBZAZTESA-N -1 3 340.423 2.209 10 30 EEEEHM C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001265299401 1323050067 /nfs/dbraw/zinc/05/00/67/1323050067.db2.gz OHXAUEZGHYDVJA-HIFRSBDPSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001283263142 1325978009 /nfs/dbraw/zinc/97/80/09/1325978009.db2.gz YNJFQWKZDIBPOM-JTQLQIEISA-N -1 3 338.795 2.169 10 30 EEEEHM C=CCCC(=O)N1CCCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001286343791 1327379193 /nfs/dbraw/zinc/37/91/93/1327379193.db2.gz KOWLHIWLNZTCBX-UHFFFAOYSA-N -1 3 328.412 2.423 10 30 EEEEHM C=CCCCC(=O)NC1CCC(NC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001295397784 1329808377 /nfs/dbraw/zinc/80/83/77/1329808377.db2.gz CGWFNEQLQBAUFB-UHFFFAOYSA-N -1 3 346.431 2.004 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC001298425681 1330076858 /nfs/dbraw/zinc/07/68/58/1330076858.db2.gz LAIOGBYHSUTQGF-VIFPVBQESA-N -1 3 325.777 2.117 10 30 EEEEHM C=CC[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OCC ZINC001321196934 1333042475 /nfs/dbraw/zinc/04/24/75/1333042475.db2.gz ZKUJMAZFOAONQT-OAHLLOKOSA-N -1 3 325.430 2.231 10 30 EEEEHM O=C([C@H]1CCC[C@H](F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001332493621 1335834985 /nfs/dbraw/zinc/83/49/85/1335834985.db2.gz RHTKECGLQIQJQU-STQMWFEESA-N -1 3 348.374 2.419 10 30 EEEEHM CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001338328566 1336841640 /nfs/dbraw/zinc/84/16/40/1336841640.db2.gz ZNAPVOSTTDTVID-GJZGRUSLSA-N -1 3 328.412 2.066 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001357332838 1338983983 /nfs/dbraw/zinc/98/39/83/1338983983.db2.gz CYEMSIPKFLQEHJ-ZBFHGGJFSA-N -1 3 328.412 2.066 10 30 EEEEHM CC#CCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001572405485 1343479706 /nfs/dbraw/zinc/47/97/06/1343479706.db2.gz BUMJAHYMUPDAFK-LSDHHAIUSA-N -1 3 328.412 2.305 10 30 EEEEHM C=C(C)[C@H](CC(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-])OCC ZINC001678084579 1357463349 /nfs/dbraw/zinc/46/33/49/1357463349.db2.gz KNVTUQKCQCZEQU-PBHICJAKSA-N -1 3 348.443 2.340 10 30 EEEEHM CSc1ccc([O-])c(C(=O)NCCNc2ncccc2C#N)c1 ZINC001597739038 1349930859 /nfs/dbraw/zinc/93/08/59/1349930859.db2.gz VSIFKKUJVKLZCO-UHFFFAOYSA-N -1 3 328.397 2.223 10 30 EEEEHM O=C(NCC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC001651237983 1354046002 /nfs/dbraw/zinc/04/60/02/1354046002.db2.gz IVVPHCGQYIEDRO-UHFFFAOYSA-N -1 3 338.285 2.252 10 30 EEEEHM CC#CCN[C@H](CNC(=O)c1ncccc1[O-])c1ccccc1CC ZINC001699933428 1405583219 /nfs/dbraw/zinc/58/32/19/1405583219.db2.gz LXQJXTQOBCVXRW-QGZVFWFLSA-N -1 3 337.423 2.434 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OC ZINC000921384345 773320532 /nfs/dbraw/zinc/32/05/32/773320532.db2.gz NEQQWUBTBZKGOI-AWEZNQCLSA-N -1 3 329.393 2.143 10 30 EEEEHM C[C@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000816691709 784201109 /nfs/dbraw/zinc/20/11/09/784201109.db2.gz XOZWXKVPBAHYOE-BXKDBHETSA-N -1 3 330.306 2.305 10 30 EEEEHM C[C@@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816693748 784201402 /nfs/dbraw/zinc/20/14/02/784201402.db2.gz QUABJPAUHDRWCJ-JOYOIKCWSA-N -1 3 330.306 2.305 10 30 EEEEHM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908742460 785681943 /nfs/dbraw/zinc/68/19/43/785681943.db2.gz OPOWXLQBGPSZEA-HZPDHXFCSA-N -1 3 333.432 2.398 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccnc1SCC1CCCCC1 ZINC000820174485 785821540 /nfs/dbraw/zinc/82/15/40/785821540.db2.gz JZPTZGPUHYEQBT-CQSZACIVSA-N -1 3 349.456 2.474 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)c(C#N)c1 ZINC000921852939 797500578 /nfs/dbraw/zinc/50/05/78/797500578.db2.gz BKLKBYWOXZRMNW-ZWNOBZJWSA-N -1 3 348.346 2.112 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(CC#N)c3)c2c1=O ZINC001457884161 1109809430 /nfs/dbraw/zinc/80/94/30/1109809430.db2.gz CFLCQVOSODXAMM-UHFFFAOYSA-N -1 3 335.367 2.371 10 30 EEEEHM CCCCN([O-])C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC001472620724 1110560783 /nfs/dbraw/zinc/56/07/83/1110560783.db2.gz NVXOVMVPGZIXSK-ZDUSSCGKSA-N -1 3 330.425 2.420 10 30 EEEEHM C=CCCC(=O)NCC[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001510240498 1116002283 /nfs/dbraw/zinc/00/22/83/1116002283.db2.gz QKGWXHHGAMMWCT-CQSZACIVSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001520404804 1119157137 /nfs/dbraw/zinc/15/71/37/1119157137.db2.gz ZRLZGLFNQDYABQ-AWEZNQCLSA-N -1 3 337.330 2.450 10 30 EEEEHM C=C(C)CON=C([O-])Nc1nc2cc(Br)ccn2n1 ZINC001562821993 1121182385 /nfs/dbraw/zinc/18/23/85/1121182385.db2.gz RNBIMVZBSIXUIJ-UHFFFAOYSA-N -1 3 326.154 2.121 10 30 EEEEHM C=C(C)CO[N-]C(=O)Nc1nc2cc(Br)ccn2n1 ZINC001562821993 1121182388 /nfs/dbraw/zinc/18/23/88/1121182388.db2.gz RNBIMVZBSIXUIJ-UHFFFAOYSA-N -1 3 326.154 2.121 10 30 EEEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000075697432 159077056 /nfs/dbraw/zinc/07/70/56/159077056.db2.gz KEPYDSYAXHYANJ-LLVKDONJSA-N -1 3 334.339 2.144 10 30 EEEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000075697432 159077057 /nfs/dbraw/zinc/07/70/57/159077057.db2.gz KEPYDSYAXHYANJ-LLVKDONJSA-N -1 3 334.339 2.144 10 30 EEEEHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344275260 161213376 /nfs/dbraw/zinc/21/33/76/161213376.db2.gz CXFBUOAECKEOMG-UHFFFAOYSA-N -1 3 326.761 2.292 10 30 EEEEHM CC(C)(C)CCS(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1 ZINC000368677466 166105243 /nfs/dbraw/zinc/10/52/43/166105243.db2.gz ZDWLLSXDVBCAGA-UHFFFAOYSA-N -1 3 333.417 2.317 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000528553730 269897696 /nfs/dbraw/zinc/89/76/96/269897696.db2.gz PDGORWJFHBSMQA-LFNDISMMSA-N -1 3 328.821 2.302 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000431612995 268167352 /nfs/dbraw/zinc/16/73/52/268167352.db2.gz BVWKZLFXDUFMTC-XIVSLSHWSA-N -1 3 335.385 2.323 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000416649816 268182114 /nfs/dbraw/zinc/18/21/14/268182114.db2.gz JIYBPNIGNVEZJP-ZWNOBZJWSA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)C2CC2)no1 ZINC000581703876 324304647 /nfs/dbraw/zinc/30/46/47/324304647.db2.gz PBISLUZLLVEPQR-INIZCTEOSA-N -1 3 346.412 2.162 10 30 EEEEHM Cc1cc([N-]C(=O)N2CCN(c3cccc(F)c3C#N)CC2)on1 ZINC000065552399 462795830 /nfs/dbraw/zinc/79/58/30/462795830.db2.gz XKACZTIYOCFPSC-UHFFFAOYSA-N -1 3 329.335 2.348 10 30 EEEEHM N#CC1([N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000170596732 463679238 /nfs/dbraw/zinc/67/92/38/463679238.db2.gz QDMFZMPOWPACIK-UHFFFAOYSA-N -1 3 327.337 2.239 10 30 EEEEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)O1 ZINC000188747074 464358860 /nfs/dbraw/zinc/35/88/60/464358860.db2.gz ZWZPFESYWPRCDA-SNVBAGLBSA-N -1 3 328.821 2.448 10 30 EEEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000295723742 464943275 /nfs/dbraw/zinc/94/32/75/464943275.db2.gz LWUYJCZKTNYNRF-UWVGGRQHSA-N -1 3 333.335 2.461 10 30 EEEEHM Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c([O-])c1O ZINC000184285893 464962092 /nfs/dbraw/zinc/96/20/92/464962092.db2.gz SLBPTYLTRVPJRY-UHFFFAOYSA-N -1 3 335.323 2.111 10 30 EEEEHM COc1cc([C@H](C#N)NC(=O)c2cccc([O-])c2)cc(OC)c1OC ZINC000357334998 465956548 /nfs/dbraw/zinc/95/65/48/465956548.db2.gz JLWNGDDMHYEEEU-AWEZNQCLSA-N -1 3 342.351 2.413 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)c2cc(C#N)ccc2Cl)n[n-]1 ZINC000376839732 466940982 /nfs/dbraw/zinc/94/09/82/466940982.db2.gz SXASQRKICYPNMX-UHFFFAOYSA-N -1 3 326.747 2.588 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)c2cc(C#N)ccc2Cl)[n-]n1 ZINC000376839732 466940985 /nfs/dbraw/zinc/94/09/85/466940985.db2.gz SXASQRKICYPNMX-UHFFFAOYSA-N -1 3 326.747 2.588 10 30 EEEEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000420729648 467465568 /nfs/dbraw/zinc/46/55/68/467465568.db2.gz QJVLFBMHZKHQIG-WDEREUQCSA-N -1 3 328.821 2.448 10 30 EEEEHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000527327019 467658951 /nfs/dbraw/zinc/65/89/51/467658951.db2.gz QMONGYSJRHNSAU-JTQLQIEISA-N -1 3 335.360 2.140 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000528545710 467699596 /nfs/dbraw/zinc/69/95/96/467699596.db2.gz DCBDQRNCRIGDCQ-RZGXBDKHSA-N -1 3 328.821 2.302 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000528558412 467702888 /nfs/dbraw/zinc/70/28/88/467702888.db2.gz XEJDEKQLVQCUEI-RZGXBDKHSA-N -1 3 328.821 2.302 10 30 EEEEHM N#CCCN(Cc1ccccn1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000505207413 467938676 /nfs/dbraw/zinc/93/86/76/467938676.db2.gz PFWFTODJLHVLGT-UHFFFAOYSA-N -1 3 332.363 2.479 10 30 EEEEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc(CC#N)cc1 ZINC000576982876 468176229 /nfs/dbraw/zinc/17/62/29/468176229.db2.gz AOPBMTSDVKJYPK-UHFFFAOYSA-N -1 3 331.397 2.025 10 30 EEEEHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594489303 468606987 /nfs/dbraw/zinc/60/69/87/468606987.db2.gz YIJGQKYXNXAAQR-AAEUAGOBSA-N -1 3 348.346 2.337 10 30 EEEEHM COCC1(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000570452599 468640651 /nfs/dbraw/zinc/64/06/51/468640651.db2.gz VADMAWQXGUWQAV-UHFFFAOYSA-N -1 3 331.416 2.141 10 30 EEEEHM COc1ccc(Br)c(CS(=O)(=O)[N-]C(C)(C)C#N)c1 ZINC000558591153 468691244 /nfs/dbraw/zinc/69/12/44/468691244.db2.gz LGALUZBVFLSIGW-UHFFFAOYSA-N -1 3 347.234 2.179 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594851096 468704910 /nfs/dbraw/zinc/70/49/10/468704910.db2.gz WXTVKZMBLQNYQQ-UHFFFAOYSA-N -1 3 334.781 2.119 10 30 EEEEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)O1 ZINC000594852542 468705278 /nfs/dbraw/zinc/70/52/78/468705278.db2.gz RAVHAOYZXQFCOL-FZMZJTMJSA-N -1 3 326.393 2.074 10 30 EEEEHM CCCC[C@](C)(CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000592855310 468806299 /nfs/dbraw/zinc/80/62/99/468806299.db2.gz SNUOKHPHCIXKJN-GOSISDBHSA-N -1 3 333.432 2.266 10 30 EEEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000595353723 468822796 /nfs/dbraw/zinc/82/27/96/468822796.db2.gz LNKDWJZSGKJYLS-CVEARBPZSA-N -1 3 336.457 2.358 10 30 EEEEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000595392793 468836599 /nfs/dbraw/zinc/83/65/99/468836599.db2.gz PUAHKNBCHSFWJB-NSHDSACASA-N -1 3 328.821 2.305 10 30 EEEEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000601486839 468892361 /nfs/dbraw/zinc/89/23/61/468892361.db2.gz AWRKLUWWILCAEV-MRXNPFEDSA-N -1 3 328.478 2.321 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCCO1 ZINC000601514249 468902859 /nfs/dbraw/zinc/90/28/59/468902859.db2.gz INVAQJPAGKJJLW-GDBMZVCRSA-N -1 3 338.404 2.323 10 30 EEEEHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccsc2C#N)C[C@H](C)O1 ZINC000593593172 469050243 /nfs/dbraw/zinc/05/02/43/469050243.db2.gz REOJXDMVNFERKK-ZSBIGDGJSA-N -1 3 328.459 2.492 10 30 EEEEHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593607630 469057732 /nfs/dbraw/zinc/05/77/32/469057732.db2.gz MORJVMUPLKWQCD-DOMZBBRYSA-N -1 3 334.422 2.210 10 30 EEEEHM C=CCOCCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000618524755 469376901 /nfs/dbraw/zinc/37/69/01/469376901.db2.gz OOKHVHDOXIONHX-UHFFFAOYSA-N -1 3 328.206 2.406 10 30 EEEEHM CC(C)(C)OC(=O)c1ccc(Cn2ccc(C=N[O-])nc2=O)cc1 ZINC000771862705 577234793 /nfs/dbraw/zinc/23/47/93/577234793.db2.gz HBPDIOLSKRSOGY-UHFFFAOYSA-N -1 3 329.356 2.055 10 30 EEEEHM Cc1cc(C(=O)N([O-])CCCCc2ccccc2)ncc1C(N)=O ZINC000904196449 694326221 /nfs/dbraw/zinc/32/62/21/694326221.db2.gz VIZHRBFCCBUSTD-UHFFFAOYSA-N -1 3 327.384 2.343 10 30 EEEEHM CCCCCCN([O-])C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000904204567 694328526 /nfs/dbraw/zinc/32/85/26/694328526.db2.gz OYFUFHUGLOUMTP-UHFFFAOYSA-N -1 3 332.422 2.250 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2cn(C)nc2Br)CCCC1 ZINC000867520275 1201627188 /nfs/dbraw/zinc/62/71/88/1201627188.db2.gz ZCFLFBCWEBZLLW-UHFFFAOYSA-N -1 3 348.266 2.350 10 30 EEEEHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000867332850 1285889656 /nfs/dbraw/zinc/88/96/56/1285889656.db2.gz DFYUQWWITXVBCH-OYMPBJRDSA-N -1 3 341.458 2.060 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000851829249 1291868417 /nfs/dbraw/zinc/86/84/17/1291868417.db2.gz GKOGBPSXQYHLTM-CYBMUJFWSA-N -1 3 331.796 2.186 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](OC)CC[C@H]1C ZINC001122585195 1310340217 /nfs/dbraw/zinc/34/02/17/1310340217.db2.gz AVEVJGLGEJYVPC-NEPJUHHUSA-N -1 3 333.392 2.219 10 30 EEEEHM Cc1cc([O-])c(C=NNC(=S)NC[C@H]2CCCO2)c(Cl)c1 ZINC000841607489 1315586012 /nfs/dbraw/zinc/58/60/12/1315586012.db2.gz GOFNPAAZHUZOBH-SNVBAGLBSA-N -1 3 327.837 2.331 10 30 EEEEHM C[C@@H](NC(=O)C#CC1CC1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001281329446 1324967998 /nfs/dbraw/zinc/96/79/98/1324967998.db2.gz GMCJBEBSWYBBKA-CQSZACIVSA-N -1 3 340.423 2.163 10 30 EEEEHM C=CC(C)(C)C(=O)NCCCC[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001281578173 1325313183 /nfs/dbraw/zinc/31/31/83/1325313183.db2.gz VAOXGOJEIZONCR-GFCCVEGCSA-N -1 3 348.447 2.108 10 30 EEEEHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001290704266 1328247573 /nfs/dbraw/zinc/24/75/73/1328247573.db2.gz VMHJNVBEBKNYOK-ZBFHGGJFSA-N -1 3 328.412 2.305 10 30 EEEEHM C=CCCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001290806886 1328278438 /nfs/dbraw/zinc/27/84/38/1328278438.db2.gz IFFDMGKMYNARKT-IFXJQAMLSA-N -1 3 328.412 2.279 10 30 EEEEHM C#C[C@@H](CC)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001297451608 1329973131 /nfs/dbraw/zinc/97/31/31/1329973131.db2.gz OZPGJONDLNQZNW-JTQLQIEISA-N -1 3 333.185 2.432 10 30 EEEEHM COc1cc(C#N)ccc1OCC(=O)NCc1c([O-])cccc1F ZINC001303878210 1331369031 /nfs/dbraw/zinc/36/90/31/1331369031.db2.gz MYJXGXUHMDZUTN-UHFFFAOYSA-N -1 3 330.315 2.107 10 30 EEEEHM C=CCC(CC=C)C(=O)N1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001356799089 1338896549 /nfs/dbraw/zinc/89/65/49/1338896549.db2.gz BAVRVZUUBOAGNJ-UHFFFAOYSA-N -1 3 328.412 2.349 10 30 EEEEHM C#C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H]1CCCO1 ZINC001616964016 1352334346 /nfs/dbraw/zinc/33/43/46/1352334346.db2.gz LFKBRMUQZNVGCN-ZIAGYGMSSA-N -1 3 330.771 2.092 10 30 EEEEHM C#CCOc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001558573991 1342483361 /nfs/dbraw/zinc/48/33/61/1342483361.db2.gz SWBJJMDKKCYVQU-SECBINFHSA-N -1 3 338.289 2.327 10 30 EEEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001561564549 1342528116 /nfs/dbraw/zinc/52/81/16/1342528116.db2.gz RPXKZQXPYXRVOK-UHFFFAOYSA-N -1 3 329.393 2.411 10 30 EEEEHM N#CC1(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCSCC1 ZINC001631864788 1352590395 /nfs/dbraw/zinc/59/03/95/1352590395.db2.gz GFPQVVFPBBBYDS-UHFFFAOYSA-N -1 3 349.362 2.325 10 30 EEEEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)CCCCCC#N)C2)n1 ZINC001644716993 1352767408 /nfs/dbraw/zinc/76/74/08/1352767408.db2.gz KGNBWMNGGGTVRK-AWEZNQCLSA-N -1 3 331.420 2.050 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649518824 1353545649 /nfs/dbraw/zinc/54/56/49/1353545649.db2.gz GXBFMVLRNWHKLP-DOTOQJQBSA-N -1 3 340.423 2.115 10 30 EEEEHM C[C@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000816691666 784199738 /nfs/dbraw/zinc/19/97/38/784199738.db2.gz WONSNAKWWANNGH-BXKDBHETSA-N -1 3 330.306 2.305 10 30 EEEEHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756529 784243163 /nfs/dbraw/zinc/24/31/63/784243163.db2.gz ZFFXKLJJGHHPGK-GZMMTYOYSA-N -1 3 347.198 2.257 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1ncc2c(n1)CCC2 ZINC000909685954 786190529 /nfs/dbraw/zinc/19/05/29/786190529.db2.gz BNNDJULOWFIKPP-UHFFFAOYSA-N -1 3 328.322 2.245 10 30 EEEEHM COc1cc(OC)c(C/N=C/c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000915981876 797465818 /nfs/dbraw/zinc/46/58/18/797465818.db2.gz YLKAEUAGFRKTOZ-UFWORHAWSA-N -1 3 346.383 2.233 10 30 EEEEHM Cc1c(C#N)c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)nn1C ZINC001130178947 811247620 /nfs/dbraw/zinc/24/76/20/811247620.db2.gz XVFSAAIVXOQPMF-UHFFFAOYSA-N -1 3 332.323 2.379 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001450276301 1105343667 /nfs/dbraw/zinc/34/36/67/1105343667.db2.gz ZMMFDAXOKRXWNV-SFHVURJKSA-N -1 3 334.375 2.196 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC001458023219 1109823372 /nfs/dbraw/zinc/82/33/72/1109823372.db2.gz MDJVHENTGRVBSH-HNNXBMFYSA-N -1 3 340.445 2.166 10 30 EEEEHM CCCCCCCCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)C[C@H]1C ZINC001511296035 1118045195 /nfs/dbraw/zinc/04/51/95/1118045195.db2.gz PEZXKGRECIKTMK-KGLIPLIRSA-N -1 3 335.452 2.275 10 30 EEEEHM C=C(C)[C@H](CC(=O)N(C)C1CN(C(=O)c2ccccc2[O-])C1)OCC ZINC001536389286 1123702468 /nfs/dbraw/zinc/70/24/68/1123702468.db2.gz WPNQAJSFLRSNHA-KRWDZBQOSA-N -1 3 346.427 2.046 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001536681938 1123772360 /nfs/dbraw/zinc/77/23/60/1123772360.db2.gz OJAGGFIPYANOHN-KRWDZBQOSA-N -1 3 342.439 2.456 10 30 EEEEHM C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001567918104 1124178674 /nfs/dbraw/zinc/17/86/74/1124178674.db2.gz BAMINXQAJYOWDL-OAHLLOKOSA-N -1 3 344.459 2.305 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000343996495 161188148 /nfs/dbraw/zinc/18/81/48/161188148.db2.gz SDHJDBMQQXHSRH-JTQLQIEISA-N -1 3 348.346 2.282 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352344716 162097439 /nfs/dbraw/zinc/09/74/39/162097439.db2.gz GITUUIBDKNHCFD-UHFFFAOYSA-N -1 3 349.290 2.087 10 30 EEEEHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1 ZINC000566308687 319273057 /nfs/dbraw/zinc/27/30/57/319273057.db2.gz ONENUPXMAYIEBP-CQSZACIVSA-N -1 3 333.417 2.459 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000336845434 465051725 /nfs/dbraw/zinc/05/17/25/465051725.db2.gz AYVVQRPUTUCFIC-NEPJUHHUSA-N -1 3 328.821 2.041 10 30 EEEEHM O=C(NCC#Cc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000045060962 462555743 /nfs/dbraw/zinc/55/57/43/462555743.db2.gz KHAVMFAPKGWJDL-SFHVURJKSA-N -1 3 348.402 2.165 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1O ZINC000121322680 463116488 /nfs/dbraw/zinc/11/64/88/463116488.db2.gz KTVYYYVCARQMQA-ZWNOBZJWSA-N -1 3 328.821 2.041 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000264361129 464296762 /nfs/dbraw/zinc/29/67/62/464296762.db2.gz GMRGGXXNIDYXSU-SNVBAGLBSA-N -1 3 334.319 2.034 10 30 EEEEHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000295368365 464804863 /nfs/dbraw/zinc/80/48/63/464804863.db2.gz ZRBKWUGDCKQLJA-AWEZNQCLSA-N -1 3 328.409 2.178 10 30 EEEEHM COc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1[O-] ZINC000183687602 464898635 /nfs/dbraw/zinc/89/86/35/464898635.db2.gz JFSIHEFNTBHWPU-UHFFFAOYSA-N -1 3 335.323 2.105 10 30 EEEEHM C=CCCOCCCCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000359778820 465489033 /nfs/dbraw/zinc/48/90/33/465489033.db2.gz RLOGBWQFKMWWAA-UHFFFAOYSA-N -1 3 347.415 2.284 10 30 EEEEHM COCCOc1ccc(C#N)cc1NC(=O)NCc1ncccc1[O-] ZINC000346918488 466248911 /nfs/dbraw/zinc/24/89/11/466248911.db2.gz SDNVZTBWGUZNPN-UHFFFAOYSA-N -1 3 342.355 2.006 10 30 EEEEHM N#CCCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444365304 467582675 /nfs/dbraw/zinc/58/26/75/467582675.db2.gz BFVAECJOXNDRPH-UHFFFAOYSA-N -1 3 334.173 2.324 10 30 EEEEHM C[C@@H](CC#N)C(=O)Nc1cc(I)ccc1[O-] ZINC000597440800 468556619 /nfs/dbraw/zinc/55/66/19/468556619.db2.gz GEOPSFPAHHJIFA-ZETCQYMHSA-N -1 3 330.125 2.485 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1C#N ZINC000600469476 468565687 /nfs/dbraw/zinc/56/56/87/468565687.db2.gz BNCYEVGPDVGXDK-ZDUSSCGKSA-N -1 3 346.456 2.127 10 30 EEEEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000594478410 468600624 /nfs/dbraw/zinc/60/06/24/468600624.db2.gz GCLXBZRNWIMOMX-ZDUSSCGKSA-N -1 3 328.409 2.427 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)s1 ZINC000594488604 468605948 /nfs/dbraw/zinc/60/59/48/468605948.db2.gz OKJAGCOQYPGCGM-NSHDSACASA-N -1 3 326.443 2.390 10 30 EEEEHM N#CCN1CCC(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598688862 468959550 /nfs/dbraw/zinc/95/95/50/468959550.db2.gz ZRKBPEKBLCKMEC-UHFFFAOYSA-N -1 3 341.333 2.376 10 30 EEEEHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cn1 ZINC000593531156 469020486 /nfs/dbraw/zinc/02/04/86/469020486.db2.gz DOUSNVPJMTVKJX-UHFFFAOYSA-N -1 3 337.426 2.280 10 30 EEEEHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593570392 469040750 /nfs/dbraw/zinc/04/07/50/469040750.db2.gz XDMLBSIIZMIIKQ-ZWNOBZJWSA-N -1 3 328.459 2.492 10 30 EEEEHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)s1 ZINC000613116362 469632319 /nfs/dbraw/zinc/63/23/19/469632319.db2.gz SIGRUQVHCIIGOL-UHFFFAOYSA-N -1 3 325.390 2.195 10 30 EEEEHM C=CCOc1ccc(CN2CC[C@@](COC)(C(=O)[O-])C2)cc1OC ZINC000635318140 470534569 /nfs/dbraw/zinc/53/45/69/470534569.db2.gz QQZHVIMYFVZOFG-GOSISDBHSA-N -1 3 335.400 2.183 10 30 EEEEHM C=CC(C)(C)CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000637319549 470687386 /nfs/dbraw/zinc/68/73/86/470687386.db2.gz FHXHXTRTLPUCNA-UHFFFAOYSA-N -1 3 345.443 2.462 10 30 EEEEHM O=c1nc(C=N[O-])ccn1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000775680221 577442641 /nfs/dbraw/zinc/44/26/41/577442641.db2.gz DYPRQAVUAYSXHG-UHFFFAOYSA-N -1 3 349.774 2.109 10 30 EEEEHM O=C(C1CN([C@H]2CCOC2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178195 694321275 /nfs/dbraw/zinc/32/12/75/694321275.db2.gz BHTFNCCVKRHXLG-AWEZNQCLSA-N -1 3 345.226 2.432 10 30 EEEEHM C=CCC(F)(F)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233852 692113735 /nfs/dbraw/zinc/11/37/35/692113735.db2.gz SCOPGZYFPQBRBJ-LLVKDONJSA-N -1 3 340.374 2.212 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N[C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001746151488 1187555002 /nfs/dbraw/zinc/55/50/02/1187555002.db2.gz MUCJRKJJFRMFEV-QWHCGFSZSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@H](Cc1cc2ccccc2o1)C(=O)OC ZINC000885766385 1202441504 /nfs/dbraw/zinc/44/15/04/1202441504.db2.gz RCGGADJKOUSKQV-AWEZNQCLSA-N -1 3 337.397 2.012 10 30 EEEEHM Cc1cc(Br)c(F)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000861828142 1295555175 /nfs/dbraw/zinc/55/51/75/1295555175.db2.gz OLESYCOCKIZTQV-SNVBAGLBSA-N -1 3 345.168 2.007 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(OCc2ccccc2)cs1 ZINC000861826919 1295555989 /nfs/dbraw/zinc/55/59/89/1295555989.db2.gz BTOZUUHGSQFRPF-CQSZACIVSA-N -1 3 346.408 2.437 10 30 EEEEHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc2n(n1)CCCC2 ZINC000842524926 1315720559 /nfs/dbraw/zinc/72/05/59/1315720559.db2.gz KJDPOSDNEQVNLU-UHFFFAOYSA-N -1 3 332.429 2.063 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(CCC#N)CC1CC1 ZINC001262990642 1322417610 /nfs/dbraw/zinc/41/76/10/1322417610.db2.gz JCEVUWULHMAWDX-UHFFFAOYSA-N -1 3 332.799 2.033 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(CCC#N)CC1CC1 ZINC001262990642 1322417617 /nfs/dbraw/zinc/41/76/17/1322417617.db2.gz JCEVUWULHMAWDX-UHFFFAOYSA-N -1 3 332.799 2.033 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001281182676 1324835367 /nfs/dbraw/zinc/83/53/67/1324835367.db2.gz BQYMTWGEKSNAMK-YLJYHZDGSA-N -1 3 340.423 2.305 10 30 EEEEHM C=CCCCC(=O)NC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001295628752 1329827274 /nfs/dbraw/zinc/82/72/74/1329827274.db2.gz LFEKRONGNYQSNI-CYBMUJFWSA-N -1 3 341.411 2.119 10 30 EEEEHM O=C(C#CC1CC1)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298893772 1330131929 /nfs/dbraw/zinc/13/19/29/1330131929.db2.gz LORSMQOGXKLBKG-RDJZCZTQSA-N -1 3 340.423 2.210 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001339847170 1337083348 /nfs/dbraw/zinc/08/33/48/1337083348.db2.gz FIHCSOJGGWLWDZ-NWDGAFQWSA-N -1 3 348.447 2.106 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001576332409 1344000097 /nfs/dbraw/zinc/00/00/97/1344000097.db2.gz AJKIRLGQPJHNEQ-HNNXBMFYSA-N -1 3 328.412 2.259 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2F)CCCC1 ZINC001622494580 1352384370 /nfs/dbraw/zinc/38/43/70/1352384370.db2.gz IRXNLBNWNCLXBF-UHFFFAOYSA-N -1 3 339.388 2.227 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000816696409 784202090 /nfs/dbraw/zinc/20/20/90/784202090.db2.gz YALMDDOSVQMWPV-IJLUTSLNSA-N -1 3 329.183 2.203 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000844271619 788964719 /nfs/dbraw/zinc/96/47/19/788964719.db2.gz QWSMYYZUBMRCOQ-ZDPZZTRWSA-N -1 3 327.384 2.322 10 30 EEEEHM Cc1ncc(CO)c(/C=N\Cc2ccn(Cc3ccccc3)n2)c1[O-] ZINC000790574298 808810622 /nfs/dbraw/zinc/81/06/22/808810622.db2.gz KSCRRFXHOKVMNX-JAIQZWGSSA-N -1 3 336.395 2.452 10 30 EEEEHM N#CCSCCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000805397648 811249006 /nfs/dbraw/zinc/24/90/06/811249006.db2.gz YPFUESKLTVALPB-CQSZACIVSA-N -1 3 348.424 2.187 10 30 EEEEHM CC(C)C#CC(=O)N1CCC2(C[C@@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001493397757 1108073351 /nfs/dbraw/zinc/07/33/51/1108073351.db2.gz UKYYLNPLVIWUSR-KRWDZBQOSA-N -1 3 340.423 2.163 10 30 EEEEHM Cc1cc(C#N)cc(N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001458458298 1109876111 /nfs/dbraw/zinc/87/61/11/1109876111.db2.gz UYUKITHTKBVQEK-NWDGAFQWSA-N -1 3 325.372 2.438 10 30 EEEEHM C=CCOCC(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001500588689 1112959168 /nfs/dbraw/zinc/95/91/68/1112959168.db2.gz KTFOKIXPABEBTB-OAHLLOKOSA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCCCN(CC)c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCOC1 ZINC001519592913 1119091376 /nfs/dbraw/zinc/09/13/76/1119091376.db2.gz RMSGMIVBIGDKJO-CYBMUJFWSA-N -1 3 347.419 2.468 10 30 EEEEHM C=CCCC[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000182597375 539590459 /nfs/dbraw/zinc/59/04/59/539590459.db2.gz KGTJQSJRHIXXAZ-OLZOCXBDSA-N -1 3 342.436 2.354 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccccc2C1 ZINC000072274749 216098277 /nfs/dbraw/zinc/09/82/77/216098277.db2.gz OLKQMDGXDUHYDQ-KRWDZBQOSA-N -1 3 349.434 2.470 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000072274748 216098300 /nfs/dbraw/zinc/09/83/00/216098300.db2.gz OLKQMDGXDUHYDQ-QGZVFWFLSA-N -1 3 349.434 2.470 10 30 EEEEHM COC(=O)CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000178496288 533367894 /nfs/dbraw/zinc/36/78/94/533367894.db2.gz BHKNKTAZQLLKBP-UHFFFAOYSA-N -1 3 344.820 2.223 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127801418 292331016 /nfs/dbraw/zinc/33/10/16/292331016.db2.gz LECSPVZCIMVMED-IUODEOHRSA-N -1 3 340.420 2.307 10 30 EEEEHM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)ccc1CN(C)C ZINC000414464726 270019517 /nfs/dbraw/zinc/01/95/17/270019517.db2.gz OCRIKJCKQTXZBY-UHFFFAOYSA-N -1 3 344.440 2.433 10 30 EEEEHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435445537 267280494 /nfs/dbraw/zinc/28/04/94/267280494.db2.gz WVIQDWJTTGGIMI-CQSZACIVSA-N -1 3 349.481 2.071 10 30 EEEEHM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328640640 465085139 /nfs/dbraw/zinc/08/51/39/465085139.db2.gz CSNQAVYVURTLNW-LLVKDONJSA-N -1 3 333.367 2.314 10 30 EEEEHM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328640640 465085143 /nfs/dbraw/zinc/08/51/43/465085143.db2.gz CSNQAVYVURTLNW-LLVKDONJSA-N -1 3 333.367 2.314 10 30 EEEEHM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328640640 465085148 /nfs/dbraw/zinc/08/51/48/465085148.db2.gz CSNQAVYVURTLNW-LLVKDONJSA-N -1 3 333.367 2.314 10 30 EEEEHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000093924319 463053708 /nfs/dbraw/zinc/05/37/08/463053708.db2.gz KWJGEAKFIRKEMZ-GFCCVEGCSA-N -1 3 344.502 2.306 10 30 EEEEHM Cc1ccc(N(CCC#N)C(=O)c2cnc3c(cnn3C)c2[O-])cc1C ZINC000097080394 463315028 /nfs/dbraw/zinc/31/50/28/463315028.db2.gz PJWNDONFOZJXOG-UHFFFAOYSA-N -1 3 349.394 2.439 10 30 EEEEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185543894 463841897 /nfs/dbraw/zinc/84/18/97/463841897.db2.gz IZWDJKRDZQCAPN-SNVBAGLBSA-N -1 3 344.820 2.222 10 30 EEEEHM C=CC[C@@H]1CCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OC)C1 ZINC000600003798 468433629 /nfs/dbraw/zinc/43/36/29/468433629.db2.gz IDECTJTVHVULFP-LLVKDONJSA-N -1 3 336.413 2.206 10 30 EEEEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000330607334 465728255 /nfs/dbraw/zinc/72/82/55/465728255.db2.gz LNJCCWAPSMAGGL-TVQRCGJNSA-N -1 3 346.836 2.068 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)NCC2CCC(C#N)CC2)c([O-])c1 ZINC000442976134 467578568 /nfs/dbraw/zinc/57/85/68/467578568.db2.gz WGYLYLINCBGLSD-UHFFFAOYSA-N -1 3 343.427 2.267 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(C)(C)CC#N ZINC000457983870 467745722 /nfs/dbraw/zinc/74/57/22/467745722.db2.gz BULXZEGJSKMKRN-UHFFFAOYSA-N -1 3 327.388 2.221 10 30 EEEEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000600668959 468616158 /nfs/dbraw/zinc/61/61/58/468616158.db2.gz WPUSQAWGLNLGDS-JKSUJKDBSA-N -1 3 342.436 2.241 10 30 EEEEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cscc1C#N ZINC000597651603 468627862 /nfs/dbraw/zinc/62/78/62/468627862.db2.gz CUMSDXBLTMLSQZ-ZJUUUORDSA-N -1 3 344.396 2.113 10 30 EEEEHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)n1 ZINC000601442763 468875528 /nfs/dbraw/zinc/87/55/28/468875528.db2.gz JTDGXCWGDYXMQH-SNVBAGLBSA-N -1 3 336.442 2.320 10 30 EEEEHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557826 469033900 /nfs/dbraw/zinc/03/39/00/469033900.db2.gz FTPXUEVRHQRIKO-SMDDNHRTSA-N -1 3 328.459 2.349 10 30 EEEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000593562821 469036984 /nfs/dbraw/zinc/03/69/84/469036984.db2.gz NZGNCOCJMIMYLK-LBPRGKRZSA-N -1 3 344.458 2.264 10 30 EEEEHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593562646 469037066 /nfs/dbraw/zinc/03/70/66/469037066.db2.gz WFJKTSQRAVYZDQ-UHFFFAOYSA-N -1 3 330.431 2.020 10 30 EEEEHM COCCC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCCC1 ZINC000593563728 469037167 /nfs/dbraw/zinc/03/71/67/469037167.db2.gz YRDYNBBLJSRPRQ-UHFFFAOYSA-N -1 3 328.459 2.495 10 30 EEEEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000445756075 535305792 /nfs/dbraw/zinc/30/57/92/535305792.db2.gz JUEKOGKKAODPTP-INIZCTEOSA-N -1 3 340.420 2.307 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)CSc2ccc(C#N)cc2)n[n-]1 ZINC000772495678 577276435 /nfs/dbraw/zinc/27/64/35/577276435.db2.gz GQAPAVZCDNMXRG-UHFFFAOYSA-N -1 3 338.396 2.413 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)CSc2ccc(C#N)cc2)[n-]n1 ZINC000772495678 577276436 /nfs/dbraw/zinc/27/64/36/577276436.db2.gz GQAPAVZCDNMXRG-UHFFFAOYSA-N -1 3 338.396 2.413 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744033898 577892331 /nfs/dbraw/zinc/89/23/31/577892331.db2.gz YLMSORCVJOIAOK-ANOSYLROSA-N -1 3 326.352 2.477 10 30 EEEEHM Cc1cc(CN[C@H]2CCCN([O-])C2=O)c(Br)cc1F ZINC000895158100 684146451 /nfs/dbraw/zinc/14/64/51/684146451.db2.gz WJZYEVRPDXPBSP-LBPRGKRZSA-N -1 3 331.185 2.366 10 30 EEEEHM NC(=O)[C@@H]1CC[C@H](CCC(=O)N([O-])Cc2cccc3ccccc32)O1 ZINC000904172499 694318733 /nfs/dbraw/zinc/31/87/33/694318733.db2.gz CRGPLLILIMCGTO-WBVHZDCISA-N -1 3 342.395 2.371 10 30 EEEEHM Cn1nnc2c1C[C@@H](C(=O)N([O-])CCCCc1ccccc1)CC2 ZINC000904195271 694325701 /nfs/dbraw/zinc/32/57/01/694325701.db2.gz AQAKSGAPWAOBJE-HNNXBMFYSA-N -1 3 328.416 2.161 10 30 EEEEHM C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221184 691899955 /nfs/dbraw/zinc/89/99/55/691899955.db2.gz JMLPQSUSYRHBTD-LBPRGKRZSA-N -1 3 343.383 2.318 10 30 EEEEHM CCS(=O)(CC)=NS(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000867502273 1201623971 /nfs/dbraw/zinc/62/39/71/1201623971.db2.gz QDPADIYQQYNSDI-UHFFFAOYSA-N -1 3 343.474 2.136 10 30 EEEEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000867304651 1285549218 /nfs/dbraw/zinc/54/92/18/1285549218.db2.gz PIDAMXYLZFKWFS-SZNDQCEHSA-N -1 3 343.474 2.374 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@@H](c3cccnc3)C2)c1[O-] ZINC000843265063 1315877128 /nfs/dbraw/zinc/87/71/28/1315877128.db2.gz UAXBECXJDUZKJY-RKCKRZLHSA-N -1 3 327.384 2.322 10 30 EEEEHM C=CCCC(=O)N[C@@H](CCN(C)C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001280572678 1324305431 /nfs/dbraw/zinc/30/54/31/1324305431.db2.gz DGCUFAATTRVIFW-AWEZNQCLSA-N -1 3 348.447 2.060 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001281442210 1325098727 /nfs/dbraw/zinc/09/87/27/1325098727.db2.gz GQNYRJBFXROFTD-STQMWFEESA-N -1 3 343.431 2.327 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001282008879 1325569394 /nfs/dbraw/zinc/56/93/94/1325569394.db2.gz AUWKZCGTJSDBIE-ZIAGYGMSSA-N -1 3 346.431 2.004 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001286327360 1327373725 /nfs/dbraw/zinc/37/37/25/1327373725.db2.gz DXXGPXVOOXZKSO-KGLIPLIRSA-N -1 3 346.431 2.004 10 30 EEEEHM C=CCC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)C)n1 ZINC001290362391 1328181658 /nfs/dbraw/zinc/18/16/58/1328181658.db2.gz ADYALPPMXNSEQD-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM C#C[C@H]1CCCCN1c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1C ZINC001355357326 1338710204 /nfs/dbraw/zinc/71/02/04/1338710204.db2.gz DYMHPFXTNKZQGK-AWEZNQCLSA-N -1 3 348.410 2.366 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC001611655706 1352303076 /nfs/dbraw/zinc/30/30/76/1352303076.db2.gz OQGLBFNDJPVIGN-AWEZNQCLSA-N -1 3 342.461 2.460 10 30 EEEEHM N#Cc1cccc(NC2CN(C(=O)c3nnc4ccccc4c3[O-])C2)c1 ZINC001634259667 1352624792 /nfs/dbraw/zinc/62/47/92/1352624792.db2.gz BBTQSISQTLRBDU-UHFFFAOYSA-N -1 3 345.362 2.144 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC001647267005 1353212038 /nfs/dbraw/zinc/21/20/38/1353212038.db2.gz OYMSDDZVJHKKSC-OUAUKWLOSA-N -1 3 330.331 2.409 10 30 EEEEHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001662128674 1354753130 /nfs/dbraw/zinc/75/31/30/1354753130.db2.gz RQUQAMJRCOEYKD-UHFFFAOYSA-N -1 3 336.291 2.304 10 30 EEEEHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820185678 785828639 /nfs/dbraw/zinc/82/86/39/785828639.db2.gz PWJMEFLMYHEBEW-PELKAZGASA-N -1 3 331.199 2.278 10 30 EEEEHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc1F ZINC000916042311 797483345 /nfs/dbraw/zinc/48/33/45/797483345.db2.gz GXFBOJZXWKRADY-UWVGGRQHSA-N -1 3 330.356 2.334 10 30 EEEEHM Cc1nsc([N-]C(=O)c2ccc(Cn3ccccc3=O)o2)c1C#N ZINC001459422780 1110174777 /nfs/dbraw/zinc/17/47/77/1110174777.db2.gz CICWVJVLTKYJNQ-UHFFFAOYSA-N -1 3 340.364 2.379 10 30 EEEEHM CCCCN([O-])C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC001472620723 1110560742 /nfs/dbraw/zinc/56/07/42/1110560742.db2.gz NVXOVMVPGZIXSK-CYBMUJFWSA-N -1 3 330.425 2.420 10 30 EEEEHM C=C(C)[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccccc1[O-])OCC ZINC001505612383 1114085303 /nfs/dbraw/zinc/08/53/03/1114085303.db2.gz PYWXFKFUJWDGGM-YOEHRIQHSA-N -1 3 346.427 2.094 10 30 EEEEHM O=C(C#CC1CC1)N[C@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001536680535 1123771204 /nfs/dbraw/zinc/77/12/04/1123771204.db2.gz CSIJHMLOUSBRMK-QGZVFWFLSA-N -1 3 340.423 2.210 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccsc1 ZINC000072277040 216103722 /nfs/dbraw/zinc/10/37/22/216103722.db2.gz VJGOFWKWYUGEOD-UHFFFAOYSA-N -1 3 329.425 2.216 10 30 EEEEHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000451817666 243279326 /nfs/dbraw/zinc/27/93/26/243279326.db2.gz MDPFHLHZXABLMT-SWLSCSKDSA-N -1 3 340.420 2.427 10 30 EEEEHM Cc1c(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc(C#N)n1C ZINC000096402840 463238009 /nfs/dbraw/zinc/23/80/09/463238009.db2.gz PEPXUARYUBPBTQ-TWGQIWQCSA-N -1 3 343.408 2.473 10 30 EEEEHM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CCC3)CCCCC2)no1 ZINC000547785237 468420864 /nfs/dbraw/zinc/42/08/64/468420864.db2.gz KIJFTOJVRPYSQU-UHFFFAOYSA-N -1 3 338.433 2.151 10 30 EEEEHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000337960451 465710202 /nfs/dbraw/zinc/71/02/02/465710202.db2.gz RXWVBMLSVGLXFH-ZDUSSCGKSA-N -1 3 347.371 2.067 10 30 EEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)n1 ZINC000594431957 468583513 /nfs/dbraw/zinc/58/35/13/468583513.db2.gz TWGOQQKUVMEDKD-OAHLLOKOSA-N -1 3 339.399 2.095 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCOC1(C)C ZINC000598453850 468871684 /nfs/dbraw/zinc/87/16/84/468871684.db2.gz KTTWKMTXNCJCEP-ZDUSSCGKSA-N -1 3 331.416 2.140 10 30 EEEEHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccsc2C#N)C2CC2)cn1 ZINC000599526549 469284295 /nfs/dbraw/zinc/28/42/95/469284295.db2.gz XGBNBRXXXOXHFV-OAHLLOKOSA-N -1 3 349.437 2.453 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000633963762 470652632 /nfs/dbraw/zinc/65/26/32/470652632.db2.gz SJQHOQJTOSPKQM-UHFFFAOYSA-N -1 3 342.436 2.213 10 30 EEEEHM CCOc1ccc(/C=N\Cc2ncccc2S(C)(=O)=O)c([O-])c1 ZINC000775231698 577433215 /nfs/dbraw/zinc/43/32/15/577433215.db2.gz JAADYWFVWLPGSC-YVLHZVERSA-N -1 3 334.397 2.209 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744033900 577892412 /nfs/dbraw/zinc/89/24/12/577892412.db2.gz YLMSORCVJOIAOK-RNOHYWCBSA-N -1 3 326.352 2.477 10 30 EEEEHM O=c1nc(C=N[O-])ccn1Cc1ccc(Br)c(F)c1 ZINC000748776654 577966690 /nfs/dbraw/zinc/96/66/90/577966690.db2.gz FEUYYPZCBYHTRN-UHFFFAOYSA-N -1 3 326.125 2.001 10 30 EEEEHM Cn1ccnc1CN1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904175482 694320013 /nfs/dbraw/zinc/32/00/13/694320013.db2.gz RZZXQBWNTLGJOX-UHFFFAOYSA-N -1 3 346.406 2.189 10 30 EEEEHM C=CC(C)(C)NC(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897602484 691674251 /nfs/dbraw/zinc/67/42/51/691674251.db2.gz DTRVBIKCKWRACK-LBPRGKRZSA-N -1 3 333.436 2.148 10 30 EEEEHM CON=Cc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001625911297 1181634013 /nfs/dbraw/zinc/63/40/13/1181634013.db2.gz DMNIQYQERBRDDB-UHFFFAOYSA-N -1 3 336.355 2.023 10 30 EEEEHM CON=Cc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001625911297 1181634019 /nfs/dbraw/zinc/63/40/19/1181634019.db2.gz DMNIQYQERBRDDB-UHFFFAOYSA-N -1 3 336.355 2.023 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C ZINC001649057492 1193499838 /nfs/dbraw/zinc/49/98/38/1193499838.db2.gz ZDYASMNKAGMJKM-LBPRGKRZSA-N -1 3 346.424 2.241 10 30 EEEEHM NC(=O)c1ccc(CC(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001649069558 1193506017 /nfs/dbraw/zinc/50/60/17/1193506017.db2.gz CRFXUNHMYDJEAL-UHFFFAOYSA-N -1 3 335.363 2.294 10 30 EEEEHM C=CCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001746922169 1190871009 /nfs/dbraw/zinc/87/10/09/1190871009.db2.gz DKDZUYIJVLVFPQ-ZBFHGGJFSA-N -1 3 328.412 2.421 10 30 EEEEHM C[C@@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001275386933 1205333359 /nfs/dbraw/zinc/33/33/59/1205333359.db2.gz SFCSWRXELWXZDV-KGLIPLIRSA-N -1 3 341.386 2.074 10 30 EEEEHM COc1cc(C#N)ccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001413355380 1235818296 /nfs/dbraw/zinc/81/82/96/1235818296.db2.gz KYLZCNBUOHBNTI-UHFFFAOYSA-N -1 3 338.367 2.260 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001488256775 1287117950 /nfs/dbraw/zinc/11/79/50/1287117950.db2.gz CJBGHMYFVZWVGW-GOEBONIOSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CC[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(=O)OCC ZINC001154004131 1316934170 /nfs/dbraw/zinc/93/41/70/1316934170.db2.gz HLDCDGXEWUIADI-ZDUSSCGKSA-N -1 3 348.786 2.419 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)C2(CC(C)C)CCCC2)n1 ZINC001264584302 1322739088 /nfs/dbraw/zinc/73/90/88/1322739088.db2.gz QQUIGSHYQXWAJZ-UHFFFAOYSA-N -1 3 344.459 2.128 10 30 EEEEHM C=CC[C@@H]1N(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)CCCC1(C)C ZINC001210458240 1325293218 /nfs/dbraw/zinc/29/32/18/1325293218.db2.gz KWIARABQSJLQFQ-LBPRGKRZSA-N -1 3 346.435 2.296 10 30 EEEEHM C=C(C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001295968992 1329861188 /nfs/dbraw/zinc/86/11/88/1329861188.db2.gz WBEPKUDAMYKFOR-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM C=CCCC(=O)N(CCCNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001296696232 1329911949 /nfs/dbraw/zinc/91/19/49/1329911949.db2.gz CKGJHILRCIPAKD-UHFFFAOYSA-N -1 3 343.431 2.281 10 30 EEEEHM C=CCCC(=O)NCCCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001492297548 1331173843 /nfs/dbraw/zinc/17/38/43/1331173843.db2.gz ZWQQWWWGIPLFJI-UHFFFAOYSA-N -1 3 341.411 2.073 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001317458577 1332251743 /nfs/dbraw/zinc/25/17/43/1332251743.db2.gz CEZRIOQQQVUPGJ-GOSISDBHSA-N -1 3 332.448 2.210 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001611657897 1352303096 /nfs/dbraw/zinc/30/30/96/1352303096.db2.gz MBBRYCIIVMWJMW-HNNXBMFYSA-N -1 3 336.388 2.042 10 30 EEEEHM CC#CCCCC(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001576251875 1343987831 /nfs/dbraw/zinc/98/78/31/1343987831.db2.gz SIQHHYJLSARMPK-HNNXBMFYSA-N -1 3 328.412 2.259 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)cc2F)CC1 ZINC000919286497 769753956 /nfs/dbraw/zinc/75/39/56/769753956.db2.gz DYYAXUGKZVHYGO-XYPYZODXSA-N -1 3 329.368 2.444 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OC ZINC000921384458 773320104 /nfs/dbraw/zinc/32/01/04/773320104.db2.gz PIKRRWCEBWZOPX-HNNXBMFYSA-N -1 3 341.429 2.013 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000816693405 784201032 /nfs/dbraw/zinc/20/10/32/784201032.db2.gz KBFPHPFRXVWLBI-SNVBAGLBSA-N -1 3 343.364 2.276 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000820179042 785824513 /nfs/dbraw/zinc/82/45/13/785824513.db2.gz DVICXPDNUQJYKO-KRWDZBQOSA-N -1 3 349.390 2.410 10 30 EEEEHM C/C(=C\C(=O)N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820179529 785825606 /nfs/dbraw/zinc/82/56/06/785825606.db2.gz MDPRZRJSRDYZIO-CRALRDPISA-N -1 3 328.290 2.215 10 30 EEEEHM CC#CC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001180345841 800369055 /nfs/dbraw/zinc/36/90/55/800369055.db2.gz AFFBTJWPUAEZPV-UHFFFAOYSA-N -1 3 336.145 2.074 10 30 EEEEHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000788484867 807546578 /nfs/dbraw/zinc/54/65/78/807546578.db2.gz NMKFQMZKANWANJ-UHFFFAOYSA-N -1 3 331.397 2.456 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn2ccccc12 ZINC001130941890 812220537 /nfs/dbraw/zinc/22/05/37/812220537.db2.gz LOQBGFFVYJALLE-UHFFFAOYSA-N -1 3 335.367 2.495 10 30 EEEEHM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ccc(C#N)c(F)c1 ZINC001440912850 1094166941 /nfs/dbraw/zinc/16/69/41/1094166941.db2.gz CSDOFHRUWKHAIV-LBPRGKRZSA-N -1 3 342.374 2.048 10 30 EEEEHM C[C@H](CNCc1cc(F)ccc1C#N)N(C)C(=O)c1ncccc1[O-] ZINC001496041412 1101970866 /nfs/dbraw/zinc/97/08/66/1101970866.db2.gz NRBHZYXWTLOUQR-GFCCVEGCSA-N -1 3 342.374 2.048 10 30 EEEEHM O=C(Cc1ccccc1)NCC(=O)N([O-])Cc1ccccc1Cl ZINC001458001724 1109821641 /nfs/dbraw/zinc/82/16/41/1109821641.db2.gz GZVDVRZMEMCLMH-UHFFFAOYSA-N -1 3 332.787 2.417 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2coc3ccccc32)nn1 ZINC001464225539 1110389503 /nfs/dbraw/zinc/38/95/03/1110389503.db2.gz FJZHUVXKUVDPOS-UHFFFAOYSA-N -1 3 332.385 2.079 10 30 EEEEHM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001467635337 1110460920 /nfs/dbraw/zinc/46/09/20/1110460920.db2.gz UIAITIXNCYOTQX-CYBMUJFWSA-N -1 3 343.358 2.055 10 30 EEEEHM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001467635337 1110460921 /nfs/dbraw/zinc/46/09/21/1110460921.db2.gz UIAITIXNCYOTQX-CYBMUJFWSA-N -1 3 343.358 2.055 10 30 EEEEHM Cc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C#N ZINC001469900339 1110498645 /nfs/dbraw/zinc/49/86/45/1110498645.db2.gz JZAMCAAANKBTQZ-UHFFFAOYSA-N -1 3 338.293 2.003 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NOc1ccccc1F ZINC001471717338 1110528885 /nfs/dbraw/zinc/52/88/85/1110528885.db2.gz LGUNUKWGTXUFMJ-UHFFFAOYSA-N -1 3 329.331 2.458 10 30 EEEEHM CC(C)C#CC(=O)NCCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001499754442 1112471477 /nfs/dbraw/zinc/47/14/77/1112471477.db2.gz ITMWZYDCFDNHRT-UHFFFAOYSA-N -1 3 342.439 2.410 10 30 EEEEHM C=C[C@](C)(CCOC)C(=O)N(C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001510675815 1117854570 /nfs/dbraw/zinc/85/45/70/1117854570.db2.gz VHJGRHNZXWUNPM-IFXJQAMLSA-N -1 3 348.443 2.198 10 30 EEEEHM CCCCCCCCC(=O)N1C[C@H](NC(=O)c2cn[n-]n2)C[C@H]1C ZINC001511296038 1118045089 /nfs/dbraw/zinc/04/50/89/1118045089.db2.gz PEZXKGRECIKTMK-ZIAGYGMSSA-N -1 3 335.452 2.275 10 30 EEEEHM C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001514779998 1118870147 /nfs/dbraw/zinc/87/01/47/1118870147.db2.gz PGXDVZPVKYMKRK-ZQDZILKHSA-N -1 3 330.428 2.475 10 30 EEEEHM CCCN(CCNC(=O)C#CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC001529547220 1121479029 /nfs/dbraw/zinc/47/90/29/1121479029.db2.gz TYLFERLQWKUSBR-UHFFFAOYSA-N -1 3 330.428 2.410 10 30 EEEEHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3ccncc3)s2)nn1 ZINC001536391441 1123702946 /nfs/dbraw/zinc/70/29/46/1123702946.db2.gz ZWPYCJAQBKCZDQ-UHFFFAOYSA-N -1 3 327.373 2.020 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000443353131 268067130 /nfs/dbraw/zinc/06/71/30/268067130.db2.gz SMXLHVVSOHJLMF-CYBMUJFWSA-N -1 3 336.438 2.249 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000416647362 268160185 /nfs/dbraw/zinc/16/01/85/268160185.db2.gz WEODKRUKKKDFCY-QWRGUYRKSA-N -1 3 328.821 2.041 10 30 EEEEHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000548295465 318371951 /nfs/dbraw/zinc/37/19/51/318371951.db2.gz PSOJGABXYUZAAA-UHFFFAOYSA-N -1 3 338.335 2.324 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CCO)CCC2)c1 ZINC000356474555 465406004 /nfs/dbraw/zinc/40/60/04/465406004.db2.gz GORMNUJTKMIXLJ-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM CC(C)N1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000184975645 463728137 /nfs/dbraw/zinc/72/81/37/463728137.db2.gz YGDXEBUOJGSBCW-FZMZJTMJSA-N -1 3 341.864 2.219 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc2ccccc2n1 ZINC000428238153 467215263 /nfs/dbraw/zinc/21/52/63/467215263.db2.gz KTXLGKGPRZJSAA-UHFFFAOYSA-N -1 3 338.392 2.022 10 30 EEEEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(CC#N)cc3)cn21 ZINC000575984776 468157557 /nfs/dbraw/zinc/15/75/57/468157557.db2.gz HLYGKVFAVLLVDS-CYBMUJFWSA-N -1 3 344.440 2.325 10 30 EEEEHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cccc(CC#N)c2)C2CC2)no1 ZINC000590092678 468212587 /nfs/dbraw/zinc/21/25/87/468212587.db2.gz VLOZOHBAWBZIPY-INIZCTEOSA-N -1 3 346.412 2.048 10 30 EEEEHM C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(F)F ZINC000592067456 468611240 /nfs/dbraw/zinc/61/12/40/468611240.db2.gz QJXHKEVSJKYDAF-QMMMGPOBSA-N -1 3 333.316 2.036 10 30 EEEEHM C[C@]1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1(F)F ZINC000594858942 468709443 /nfs/dbraw/zinc/70/94/43/468709443.db2.gz VMAXHEHIDMITMF-LBPRGKRZSA-N -1 3 345.327 2.180 10 30 EEEEHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594869071 468713050 /nfs/dbraw/zinc/71/30/50/468713050.db2.gz BEGFKFNCBLXJRC-UHFFFAOYSA-N -1 3 342.442 2.287 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OC ZINC000601502450 468897424 /nfs/dbraw/zinc/89/74/24/468897424.db2.gz VLUAAABMAMYHPJ-AWEZNQCLSA-N -1 3 345.848 2.310 10 30 EEEEHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)n1 ZINC000593575333 469044341 /nfs/dbraw/zinc/04/43/41/469044341.db2.gz GGDZEDCVAOHENR-MRVPVSSYSA-N -1 3 327.456 2.467 10 30 EEEEHM C[C@](O)(C[N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000593582259 469046674 /nfs/dbraw/zinc/04/66/74/469046674.db2.gz NPUXRGODVXESRI-AWEZNQCLSA-N -1 3 328.459 2.229 10 30 EEEEHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C2 ZINC000593596443 469052264 /nfs/dbraw/zinc/05/22/64/469052264.db2.gz AOKGILMFMRVFDD-GFCCVEGCSA-N -1 3 334.422 2.210 10 30 EEEEHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593602094 469054598 /nfs/dbraw/zinc/05/45/98/469054598.db2.gz DDDIUPVJRBIQML-MRVPVSSYSA-N -1 3 342.364 2.256 10 30 EEEEHM N#Cc1cc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)ccn1 ZINC000610953823 469120490 /nfs/dbraw/zinc/12/04/90/469120490.db2.gz HXMUPBPMSWYHMZ-UHFFFAOYSA-N -1 3 345.428 2.168 10 30 EEEEHM N#Cc1cc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)ccn1 ZINC000610953823 469120496 /nfs/dbraw/zinc/12/04/96/469120496.db2.gz HXMUPBPMSWYHMZ-UHFFFAOYSA-N -1 3 345.428 2.168 10 30 EEEEHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000612675470 469522520 /nfs/dbraw/zinc/52/25/20/469522520.db2.gz ACKVEPAKYVCRFU-HOCLYGCPSA-N -1 3 336.457 2.154 10 30 EEEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617037842 469581469 /nfs/dbraw/zinc/58/14/69/469581469.db2.gz RJMJMJMICSZBPZ-STQMWFEESA-N -1 3 342.486 2.278 10 30 EEEEHM Cc1cc(C=NNC2=NC(=O)C(=O)[N-]2)c2c(C)ccc(C(C)C)cc1-2 ZINC000765592687 577503718 /nfs/dbraw/zinc/50/37/18/577503718.db2.gz JNSQZWSKUXHYFA-UHFFFAOYSA-N -1 3 336.395 2.468 10 30 EEEEHM O=C(NC1CC1)c1cc(F)c(N=NCc2ccc([O-])cn2)c(F)c1 ZINC000755773390 577830873 /nfs/dbraw/zinc/83/08/73/577830873.db2.gz PHNKSWJXCFTRDX-UHFFFAOYSA-N -1 3 332.310 2.404 10 30 EEEEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000330153397 684794355 /nfs/dbraw/zinc/79/43/55/684794355.db2.gz MSCXQWCLUPOTTG-VIFPVBQESA-N -1 3 343.313 2.188 10 30 EEEEHM C=C1CC(C)(c2noc([C@@H](CCSC)[N-]S(=O)(=O)CC)n2)C1 ZINC000896927750 685856506 /nfs/dbraw/zinc/85/65/06/685856506.db2.gz OMCVAWMTKVDTBC-LLVKDONJSA-N -1 3 345.490 2.411 10 30 EEEEHM C=CCOCCCC(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001687204955 1177104010 /nfs/dbraw/zinc/10/40/10/1177104010.db2.gz OZTCBZPGNSEGJS-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)C(=O)OCC ZINC000882644643 1201912694 /nfs/dbraw/zinc/91/26/94/1201912694.db2.gz MWCGCNMGJWKIKU-OAHLLOKOSA-N -1 3 325.430 2.312 10 30 EEEEHM CC(C)C#CC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001299472140 1205291486 /nfs/dbraw/zinc/29/14/86/1205291486.db2.gz FFXARZYNKUYASS-KRWDZBQOSA-N -1 3 342.439 2.456 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@@H]([C@@H]3CCCCO3)C1)cc2=O ZINC001413036881 1216974323 /nfs/dbraw/zinc/97/43/23/1216974323.db2.gz UGYNVTQMDZAICJ-CJNGLKHVSA-N -1 3 341.415 2.088 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)nn1 ZINC000867304993 1285555107 /nfs/dbraw/zinc/55/51/07/1285555107.db2.gz STYPPWUXVLUGIP-OAHLLOKOSA-N -1 3 330.413 2.499 10 30 EEEEHM CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1[O-] ZINC000863127982 1296123996 /nfs/dbraw/zinc/12/39/96/1296123996.db2.gz CITJQVHVOUXFJI-CQSZACIVSA-N -1 3 332.425 2.436 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1ccc(C)o1 ZINC001262991089 1322417695 /nfs/dbraw/zinc/41/76/95/1322417695.db2.gz YVCAYCOENRTDSA-UHFFFAOYSA-N -1 3 333.783 2.440 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1ccc(C)o1 ZINC001262991089 1322417699 /nfs/dbraw/zinc/41/76/99/1322417699.db2.gz YVCAYCOENRTDSA-UHFFFAOYSA-N -1 3 333.783 2.440 10 30 EEEEHM C[C@@H]1[C@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001281136874 1324783678 /nfs/dbraw/zinc/78/36/78/1324783678.db2.gz SRHKUXSDGXLFRC-UKRRQHHQSA-N -1 3 328.412 2.161 10 30 EEEEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001281136873 1324783697 /nfs/dbraw/zinc/78/36/97/1324783697.db2.gz SRHKUXSDGXLFRC-HIFRSBDPSA-N -1 3 328.412 2.161 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001281182669 1324835701 /nfs/dbraw/zinc/83/57/01/1324835701.db2.gz BQYMTWGEKSNAMK-FXAWDEMLSA-N -1 3 340.423 2.305 10 30 EEEEHM C=CCOCC(=O)NCCC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001284469728 1326568799 /nfs/dbraw/zinc/56/87/99/1326568799.db2.gz FUDBCAKDFHTVOC-OAHLLOKOSA-N -1 3 346.427 2.096 10 30 EEEEHM C=C[C@H](CC)CC(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC001285265430 1326933719 /nfs/dbraw/zinc/93/37/19/1326933719.db2.gz MCIPEZWWYZBYEZ-UKRRQHHQSA-N -1 3 347.463 2.202 10 30 EEEEHM C=CCC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001337177321 1336657543 /nfs/dbraw/zinc/65/75/43/1336657543.db2.gz WLNAQVWFDGGSTA-LBPRGKRZSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)CCC(F)(F)F ZINC001339090788 1336957457 /nfs/dbraw/zinc/95/74/57/1336957457.db2.gz GXUJWMPFVCVOTM-UHFFFAOYSA-N -1 3 335.721 2.291 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)CCC(F)(F)F ZINC001339090788 1336957458 /nfs/dbraw/zinc/95/74/58/1336957458.db2.gz GXUJWMPFVCVOTM-UHFFFAOYSA-N -1 3 335.721 2.291 10 30 EEEEHM C#CCN(CC#C)c1nnc(CCc2cccc(Cl)c2[O-])n1C ZINC001350329683 1337695359 /nfs/dbraw/zinc/69/53/59/1337695359.db2.gz NXYHYGXXHPYLRV-UHFFFAOYSA-N -1 3 328.803 2.032 10 30 EEEEHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC001559034609 1342495845 /nfs/dbraw/zinc/49/58/45/1342495845.db2.gz IBHBZBIMTBBHGQ-SUMWQHHRSA-N -1 3 339.436 2.285 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001572196515 1343429412 /nfs/dbraw/zinc/42/94/12/1343429412.db2.gz DRQJQZNCHPXZBS-RDTXWAMCSA-N -1 3 348.447 2.045 10 30 EEEEHM COC(=O)c1cc(NC(=O)c2csc(C#N)c2)c([O-])c(OC)c1 ZINC001648301257 1353422871 /nfs/dbraw/zinc/42/28/71/1353422871.db2.gz FLWCGHKBJSRCBH-UHFFFAOYSA-N -1 3 332.337 2.373 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@@H](c3cccnc3)C1)cc2=O ZINC001654860764 1354160004 /nfs/dbraw/zinc/16/00/04/1354160004.db2.gz JEUWLFDTSDDPOT-CQSZACIVSA-N -1 3 334.383 2.081 10 30 EEEEHM O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CCN([O-])C1=O ZINC000816695696 784201913 /nfs/dbraw/zinc/20/19/13/784201913.db2.gz JBUYZFGASMZIEW-GFCCVEGCSA-N -1 3 349.774 2.034 10 30 EEEEHM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908740950 785680831 /nfs/dbraw/zinc/68/08/31/785680831.db2.gz CCBJOBTYPMOXMV-UONOGXRCSA-N -1 3 339.823 2.184 10 30 EEEEHM C=C(C)C[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908858112 785797873 /nfs/dbraw/zinc/79/78/73/785797873.db2.gz GOADIISDEMMFJZ-HOTGVXAUSA-N -1 3 333.432 2.316 10 30 EEEEHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC000908946919 785869935 /nfs/dbraw/zinc/86/99/35/785869935.db2.gz XBQRUAAVXSPMHY-MRXNPFEDSA-N -1 3 337.464 2.360 10 30 EEEEHM C#CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173790639 791908199 /nfs/dbraw/zinc/90/81/99/791908199.db2.gz MBWVXIQBOJJSFI-UHFFFAOYSA-N -1 3 347.190 2.049 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCc1ccc(N2CCOCC2)cc1 ZINC000917209383 798135538 /nfs/dbraw/zinc/13/55/38/798135538.db2.gz FFJBLXRLGQLFCU-UHFFFAOYSA-N -1 3 332.429 2.299 10 30 EEEEHM C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1)OCC ZINC001494153067 1103613129 /nfs/dbraw/zinc/61/31/29/1103613129.db2.gz AXDMUWOAWNXMKR-VBQJREDUSA-N -1 3 346.427 2.141 10 30 EEEEHM C[C@H](NC(=O)c1ccc(C#N)cc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001456401316 1109166794 /nfs/dbraw/zinc/16/67/94/1109166794.db2.gz SSLAHBMHGSJERM-LURJTMIESA-N -1 3 327.241 2.325 10 30 EEEEHM C#CCOc1ccc(F)cc1[N-]C(=O)c1cc(C(=O)OCC)no1 ZINC001465545866 1110419554 /nfs/dbraw/zinc/41/95/54/1110419554.db2.gz WOGJLXLMZALWDA-UHFFFAOYSA-N -1 3 332.287 2.255 10 30 EEEEHM NC(=O)c1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c[nH]1 ZINC001472615623 1110560920 /nfs/dbraw/zinc/56/09/20/1110560920.db2.gz BVBSKHOKJMOHKV-UHFFFAOYSA-N -1 3 328.155 2.452 10 30 EEEEHM C=CCCCC(=O)N[C@@H](C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001505400768 1113938700 /nfs/dbraw/zinc/93/87/00/1113938700.db2.gz DGYGZFLRUSWGPE-ZDUSSCGKSA-N -1 3 341.411 2.119 10 30 EEEEHM C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001510675822 1117854745 /nfs/dbraw/zinc/85/47/45/1117854745.db2.gz VHJGRHNZXWUNPM-LIRRHRJNSA-N -1 3 348.443 2.198 10 30 EEEEHM C=CCC(CC=C)C(=O)NCC1CN(C(=O)c2ccccc2[O-])C1 ZINC001530776389 1122096034 /nfs/dbraw/zinc/09/60/34/1122096034.db2.gz JTHIMIYWIAVXRT-UHFFFAOYSA-N -1 3 328.412 2.349 10 30 EEEEHM C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001536620772 1123746522 /nfs/dbraw/zinc/74/65/22/1123746522.db2.gz IWXQAMQYTCSZTB-WMLDXEAASA-N -1 3 340.423 2.115 10 30 EEEEHM N#Cc1cccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442762549 242110048 /nfs/dbraw/zinc/11/00/48/242110048.db2.gz BZEHDUXTYRQMAJ-UHFFFAOYSA-N -1 3 341.314 2.451 10 30 EEEEHM CSc1nnc(C)c(=O)n1/N=C\c1c([O-])ccc2ccccc21 ZINC000097433401 219024722 /nfs/dbraw/zinc/02/47/22/219024722.db2.gz JOOSCNCIFCQEJG-MFOYZWKCSA-N -1 3 326.381 2.410 10 30 EEEEHM COc1cc(C#N)ccc1OCCCC(=O)NCc1ncccc1[O-] ZINC000352516119 162166774 /nfs/dbraw/zinc/16/67/74/162166774.db2.gz JZWPTONJIZDRNH-UHFFFAOYSA-N -1 3 341.367 2.143 10 30 EEEEHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1 ZINC000577679196 320269262 /nfs/dbraw/zinc/26/92/62/320269262.db2.gz JBNZZAIPODLEHM-UHFFFAOYSA-N -1 3 325.390 2.082 10 30 EEEEHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000088780544 462646742 /nfs/dbraw/zinc/64/67/42/462646742.db2.gz VXBYNBKLASCXBY-UHFFFAOYSA-N -1 3 337.376 2.289 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000293489377 464407448 /nfs/dbraw/zinc/40/74/48/464407448.db2.gz WHQUFSBDMVJWQF-MRVPVSSYSA-N -1 3 340.334 2.270 10 30 EEEEHM C=CCSCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286749920 465020973 /nfs/dbraw/zinc/02/09/73/465020973.db2.gz DCLBHPDLVSKKFL-UHFFFAOYSA-N -1 3 326.365 2.298 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000353717080 466091087 /nfs/dbraw/zinc/09/10/87/466091087.db2.gz GYISTAXCSZUIIN-ZLKJLUDKSA-N -1 3 331.416 2.233 10 30 EEEEHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCOC1 ZINC000593297268 468932346 /nfs/dbraw/zinc/93/23/46/468932346.db2.gz YBXQSSFTFFVCPF-CQSZACIVSA-N -1 3 331.416 2.236 10 30 EEEEHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593570389 469040799 /nfs/dbraw/zinc/04/07/99/469040799.db2.gz XDMLBSIIZMIIKQ-GXFFZTMASA-N -1 3 328.459 2.492 10 30 EEEEHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574033 469042449 /nfs/dbraw/zinc/04/24/49/469042449.db2.gz XJBMNJSWRHQXIB-NEPJUHHUSA-N -1 3 328.459 2.492 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000599360020 469225974 /nfs/dbraw/zinc/22/59/74/469225974.db2.gz JUZXJCKFKSKUMB-UHFFFAOYSA-N -1 3 329.393 2.493 10 30 EEEEHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C2CC2)cn1 ZINC000599526548 469284486 /nfs/dbraw/zinc/28/44/86/469284486.db2.gz XGBNBRXXXOXHFV-HNNXBMFYSA-N -1 3 349.437 2.453 10 30 EEEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632363810 470221335 /nfs/dbraw/zinc/22/13/35/470221335.db2.gz AFHOONKRVOVTAT-UHFFFAOYSA-N -1 3 325.356 2.320 10 30 EEEEHM CCOc1cc(CN2CC(O)(CC#N)C2)cc(Br)c1[O-] ZINC000362282700 528262395 /nfs/dbraw/zinc/26/23/95/528262395.db2.gz HSSYACCKKMCFTQ-UHFFFAOYSA-N -1 3 341.205 2.014 10 30 EEEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000775728522 577444110 /nfs/dbraw/zinc/44/41/10/577444110.db2.gz JHELKOQLOFUFPB-UHFFFAOYSA-N -1 3 325.752 2.224 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000760210206 577658880 /nfs/dbraw/zinc/65/88/80/577658880.db2.gz COVIAMOIKVWLFV-CATAHAEOSA-N -1 3 337.383 2.349 10 30 EEEEHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nnn(C)c1C ZINC000744029444 577892271 /nfs/dbraw/zinc/89/22/71/577892271.db2.gz SQGPVUWFBQFOIB-AWEZNQCLSA-N -1 3 339.399 2.210 10 30 EEEEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000330153394 684794271 /nfs/dbraw/zinc/79/42/71/684794271.db2.gz MSCXQWCLUPOTTG-SECBINFHSA-N -1 3 343.313 2.188 10 30 EEEEHM O=C([C@@H]1CC[C@H]2C[C@H]2C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904186043 694315419 /nfs/dbraw/zinc/31/54/19/694315419.db2.gz ONHVJLTXUPHYEM-MJBXVCDLSA-N -1 3 342.395 2.327 10 30 EEEEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174901 694319505 /nfs/dbraw/zinc/31/95/05/694319505.db2.gz LCMXQBIZQCZVID-BXUZGUMPSA-N -1 3 340.420 2.491 10 30 EEEEHM O=C([C@@H]1CCCCS1(=O)=O)N([O-])CCCCc1ccccc1 ZINC000904197490 694326638 /nfs/dbraw/zinc/32/66/38/694326638.db2.gz FNXFRARCOWFMBB-HNNXBMFYSA-N -1 3 325.430 2.194 10 30 EEEEHM N#Cc1c[nH]c2cc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)ccc12 ZINC001625917760 1181882411 /nfs/dbraw/zinc/88/24/11/1181882411.db2.gz YPHCCNLTGNGRKX-UHFFFAOYSA-N -1 3 343.350 2.396 10 30 EEEEHM N#Cc1c[nH]c2cc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)ccc12 ZINC001625917760 1181882417 /nfs/dbraw/zinc/88/24/17/1181882417.db2.gz YPHCCNLTGNGRKX-UHFFFAOYSA-N -1 3 343.350 2.396 10 30 EEEEHM C=CCC(CC=C)C(=O)NC1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001268310604 1182224497 /nfs/dbraw/zinc/22/44/97/1182224497.db2.gz KDRVFAPIGXOWIK-UHFFFAOYSA-N -1 3 342.443 2.128 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CCSC1 ZINC000869612399 1200179591 /nfs/dbraw/zinc/17/95/91/1200179591.db2.gz OCIPXKCZLIYUDU-ZDUSSCGKSA-N -1 3 333.457 2.468 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCC ZINC000867588470 1201639211 /nfs/dbraw/zinc/63/92/11/1201639211.db2.gz DTAHRYDOOOKDSG-LLVKDONJSA-N -1 3 335.784 2.178 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(C)c1)C(=O)OCC ZINC000882644587 1201912782 /nfs/dbraw/zinc/91/27/82/1201912782.db2.gz KHZDUYGXIUGPGJ-OAHLLOKOSA-N -1 3 325.430 2.312 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(C)(C)C ZINC001190909478 1281145851 /nfs/dbraw/zinc/14/58/51/1281145851.db2.gz HVKIXLSUOJKVSH-JTQLQIEISA-N -1 3 327.793 2.202 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001488250454 1287002370 /nfs/dbraw/zinc/00/23/70/1287002370.db2.gz RHKOSLVQBKIWNK-GDBMZVCRSA-N -1 3 328.412 2.161 10 30 EEEEHM CC(=NN[C@@H]1CCCSC1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC001262040317 1322225466 /nfs/dbraw/zinc/22/54/66/1322225466.db2.gz MLMSFZVMSJBKKN-QGZVFWFLSA-N -1 3 349.500 2.434 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)C1 ZINC001263010323 1322421757 /nfs/dbraw/zinc/42/17/57/1322421757.db2.gz UJYDQPWLKZLOBO-CYBMUJFWSA-N -1 3 326.404 2.009 10 30 EEEEHM C[C@@H]1C[C@@H](NC(=O)C#CC(C)(C)C)CN1C(=O)c1ccccc1[O-] ZINC001281160825 1324808362 /nfs/dbraw/zinc/80/83/62/1324808362.db2.gz VTNKTTOPJNKWMD-ZIAGYGMSSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CCCC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C(C)C)n1 ZINC001282235447 1325661069 /nfs/dbraw/zinc/66/10/69/1325661069.db2.gz WCSUODHZSSRWNU-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM C=C[C@](C)(CCOC)C(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001285597616 1327070304 /nfs/dbraw/zinc/07/03/04/1327070304.db2.gz FJQQPFNTEWPJRE-IFXJQAMLSA-N -1 3 348.443 2.198 10 30 EEEEHM C=CCOCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001287924815 1327566270 /nfs/dbraw/zinc/56/62/70/1327566270.db2.gz XFPNNYXXTMVCPT-LSDHHAIUSA-N -1 3 346.427 2.094 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)C)n1 ZINC001290363310 1328181127 /nfs/dbraw/zinc/18/11/27/1328181127.db2.gz QZGLPPWBNHPNQO-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CC[C@H](CO)CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001295810188 1329846150 /nfs/dbraw/zinc/84/61/50/1329846150.db2.gz ZAFYHXZJZJLUEJ-JTQLQIEISA-N -1 3 341.433 2.405 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001298899624 1330133602 /nfs/dbraw/zinc/13/36/02/1330133602.db2.gz PTSFNNNSELEUAI-WBVHZDCISA-N -1 3 342.439 2.456 10 30 EEEEHM CC[C@H]1CN(C(=O)C#CC(C)C)CC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298955600 1330137339 /nfs/dbraw/zinc/13/73/39/1330137339.db2.gz BOZOYJWNXHFIDF-DOTOQJQBSA-N -1 3 342.439 2.409 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001357332832 1338983997 /nfs/dbraw/zinc/98/39/97/1338983997.db2.gz CYEMSIPKFLQEHJ-GDBMZVCRSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CC(C)(C)CC(=O)N(CC)[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001572678582 1343553182 /nfs/dbraw/zinc/55/31/82/1343553182.db2.gz CPMIFFQPJGPCMX-GFCCVEGCSA-N -1 3 348.447 2.060 10 30 EEEEHM C#CCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001574642481 1343691393 /nfs/dbraw/zinc/69/13/93/1343691393.db2.gz PUEJQGZVHJNCSH-YWZLYKJASA-N -1 3 340.423 2.307 10 30 EEEEHM C=CCC1(C(=O)NC[C@H]2CCN2C(=O)c2ccccc2[O-])CCC1 ZINC001584824152 1348765329 /nfs/dbraw/zinc/76/53/29/1348765329.db2.gz KTZZYYWNPCDVOC-CQSZACIVSA-N -1 3 328.412 2.469 10 30 EEEEHM C=CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001677888083 1357427353 /nfs/dbraw/zinc/42/73/53/1357427353.db2.gz PIWYTEOZILFKQA-CHWSQXEVSA-N -1 3 341.411 2.117 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649520003 1353546350 /nfs/dbraw/zinc/54/63/50/1353546350.db2.gz MMWQLSIOGPCIPV-NVXWUHKLSA-N -1 3 340.423 2.259 10 30 EEEEHM N#CCCCCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001651223829 1354045123 /nfs/dbraw/zinc/04/51/23/1354045123.db2.gz WLKSGHWOLNKMST-UHFFFAOYSA-N -1 3 343.383 2.365 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@H](c3cccnc3)C1)cc2=O ZINC001654860763 1354159980 /nfs/dbraw/zinc/15/99/80/1354159980.db2.gz JEUWLFDTSDDPOT-AWEZNQCLSA-N -1 3 334.383 2.081 10 30 EEEEHM C#Cc1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001662090252 1354748190 /nfs/dbraw/zinc/74/81/90/1354748190.db2.gz CQGCUPVYCUMVSH-UHFFFAOYSA-N -1 3 346.364 2.063 10 30 EEEEHM N#C[C@]1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCSC1 ZINC000824991228 788391240 /nfs/dbraw/zinc/39/12/40/788391240.db2.gz UJYFNNBHLVWVFQ-CQSZACIVSA-N -1 3 349.366 2.010 10 30 EEEEHM C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001493768004 1108642701 /nfs/dbraw/zinc/64/27/01/1108642701.db2.gz XROHRCZSJBDYGE-GASCZTMLSA-N -1 3 326.396 2.011 10 30 EEEEHM C=C(C)COc1cccc(NC(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001465533721 1110419197 /nfs/dbraw/zinc/41/91/97/1110419197.db2.gz VLNYZVRHJFFPKO-OAHLLOKOSA-N -1 3 330.388 2.275 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)CCc1cccc(F)c1)C(=O)OCC ZINC001475305019 1110610179 /nfs/dbraw/zinc/61/01/79/1110610179.db2.gz HCYKRCXVYMCGLA-HNNXBMFYSA-N -1 3 343.420 2.186 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC001503007733 1113870701 /nfs/dbraw/zinc/87/07/01/1113870701.db2.gz JQEHKPJOFCOTFH-ZDUSSCGKSA-N -1 3 341.411 2.119 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000385434381 539939677 /nfs/dbraw/zinc/93/96/77/539939677.db2.gz OXCAAELDRKVTSN-UHFFFAOYSA-N -1 3 338.198 2.069 10 30 EEEEHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000190371335 160159054 /nfs/dbraw/zinc/15/90/54/160159054.db2.gz UINKNGUBBBBMJL-INIZCTEOSA-N -1 3 340.420 2.307 10 30 EEEEHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C#N)cn2C)[n-]1 ZINC000191962066 160164488 /nfs/dbraw/zinc/16/44/88/160164488.db2.gz QYFQCBOCTJKWQE-UHFFFAOYSA-N -1 3 343.387 2.391 10 30 EEEEHM CCCCc1nc(NC(=O)c2cc(C#N)cn2C)c(C(=O)OCC)[n-]1 ZINC000191962066 160164489 /nfs/dbraw/zinc/16/44/89/160164489.db2.gz QYFQCBOCTJKWQE-UHFFFAOYSA-N -1 3 343.387 2.391 10 30 EEEEHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000277719258 269892416 /nfs/dbraw/zinc/89/24/16/269892416.db2.gz JBHBTEFPOCULFC-JOYOIKCWSA-N -1 3 348.346 2.280 10 30 EEEEHM C=CCSCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000358523686 465174730 /nfs/dbraw/zinc/17/47/30/465174730.db2.gz TUILRSGHPONFMI-UHFFFAOYSA-N -1 3 326.365 2.298 10 30 EEEEHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)CO2 ZINC000152547452 462545542 /nfs/dbraw/zinc/54/55/42/462545542.db2.gz JHSGCCQCVBMSSA-HNNXBMFYSA-N -1 3 332.356 2.418 10 30 EEEEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000157103759 463098687 /nfs/dbraw/zinc/09/86/87/463098687.db2.gz HEVGBFHKFPTRIR-OAHLLOKOSA-N -1 3 334.372 2.363 10 30 EEEEHM O=C(CCCC1CCN(C(=O)NCCc2ccccc2)CC1)N[O-] ZINC000148928982 463404440 /nfs/dbraw/zinc/40/44/40/463404440.db2.gz VJCHIXQFWOSXMF-UHFFFAOYSA-N -1 3 333.432 2.326 10 30 EEEEHM N#CCCCCS(=O)(=O)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000177582505 463742379 /nfs/dbraw/zinc/74/23/79/463742379.db2.gz NSOFOKJVHNZMCY-UHFFFAOYSA-N -1 3 338.433 2.330 10 30 EEEEHM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccncn1 ZINC000354473309 466593044 /nfs/dbraw/zinc/59/30/44/466593044.db2.gz VQOJVLYYSQAXKW-GOEBONIOSA-N -1 3 336.351 2.084 10 30 EEEEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416481477 466737306 /nfs/dbraw/zinc/73/73/06/466737306.db2.gz BXIAKDVCOIGEJE-RKDXNWHRSA-N -1 3 347.234 2.022 10 30 EEEEHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCC2)nc2ccccc12 ZINC000575368384 468140083 /nfs/dbraw/zinc/14/00/83/468140083.db2.gz CEFORGBXUVVXNL-UHFFFAOYSA-N -1 3 330.413 2.052 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1noc(-c2ccccc2)n1 ZINC000576166844 468160864 /nfs/dbraw/zinc/16/08/64/468160864.db2.gz LIARPMYEBMSPJW-GFCCVEGCSA-N -1 3 346.412 2.411 10 30 EEEEHM C=C[C@H](CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)c1ccccc1 ZINC000550111320 468206687 /nfs/dbraw/zinc/20/66/87/468206687.db2.gz JVKBLZWXRXCFDU-UKRRQHHQSA-N -1 3 325.416 2.251 10 30 EEEEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000592084965 468617309 /nfs/dbraw/zinc/61/73/09/468617309.db2.gz NKJDXCTWXJJETB-TXEJJXNPSA-N -1 3 326.393 2.322 10 30 EEEEHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557823 469033811 /nfs/dbraw/zinc/03/38/11/469033811.db2.gz FTPXUEVRHQRIKO-BXUZGUMPSA-N -1 3 328.459 2.349 10 30 EEEEHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C[C@@H]1OC ZINC000593565972 469038209 /nfs/dbraw/zinc/03/82/09/469038209.db2.gz LDAZYWSKEUBIQX-STQMWFEESA-N -1 3 328.459 2.492 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1 ZINC000593595340 469051522 /nfs/dbraw/zinc/05/15/22/469051522.db2.gz OEESTOYSVDCGNY-UHFFFAOYSA-N -1 3 333.438 2.415 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612370247 469449200 /nfs/dbraw/zinc/44/92/00/469449200.db2.gz YEJRIZVBBLSMPO-SFHVURJKSA-N -1 3 339.399 2.317 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625374795 470130554 /nfs/dbraw/zinc/13/05/54/470130554.db2.gz XYFTUDOCSJVERT-DGCLKSJQSA-N -1 3 335.347 2.417 10 30 EEEEHM COc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2C#N)cc1F ZINC000528514254 485526584 /nfs/dbraw/zinc/52/65/84/485526584.db2.gz ZEWHKGUKHWSWRZ-UHFFFAOYSA-N -1 3 349.387 2.315 10 30 EEEEHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F ZINC000775078393 577428975 /nfs/dbraw/zinc/42/89/75/577428975.db2.gz YKVOWIDDBZLIGQ-GFCCVEGCSA-N -1 3 336.335 2.112 10 30 EEEEHM C=CCc1cc(OC)cc(CN2CCN(C3CC3)[C@@H](C#N)C2)c1[O-] ZINC000754726338 577811505 /nfs/dbraw/zinc/81/15/05/577811505.db2.gz PSGRRUVFVPCIMH-KRWDZBQOSA-N -1 3 327.428 2.301 10 30 EEEEHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744034685 577892371 /nfs/dbraw/zinc/89/23/71/577892371.db2.gz FAYFBALQXPVFMU-ANOSYLROSA-N -1 3 325.368 2.002 10 30 EEEEHM C=C(C)CCNC(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000895147929 684120466 /nfs/dbraw/zinc/12/04/66/684120466.db2.gz XOTBUNOYZQBTLP-CYBMUJFWSA-N -1 3 333.436 2.150 10 30 EEEEHM C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2[O-])C1 ZINC000936439694 686261723 /nfs/dbraw/zinc/26/17/23/686261723.db2.gz IVTOBVBKYDXTEG-KBPBESRZSA-N -1 3 326.396 2.174 10 30 EEEEHM C=CC(C)(C)NC(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897602483 691673936 /nfs/dbraw/zinc/67/39/36/691673936.db2.gz DTRVBIKCKWRACK-GFCCVEGCSA-N -1 3 333.436 2.148 10 30 EEEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867058544 1280758837 /nfs/dbraw/zinc/75/88/37/1280758837.db2.gz HBSAFXHZTOVTSW-SECBINFHSA-N -1 3 336.255 2.206 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3cccc(O)c3[O-])CCOCC2)c1 ZINC000855873689 1293350255 /nfs/dbraw/zinc/35/02/55/1293350255.db2.gz AUXZBCIZMWZULC-UHFFFAOYSA-N -1 3 338.363 2.405 10 30 EEEEHM Cc1cc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)nn1 ZINC000861065538 1295237287 /nfs/dbraw/zinc/23/72/87/1295237287.db2.gz WVJXBVMBCAYDAJ-UHFFFAOYSA-N -1 3 340.383 2.359 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)C)n1 ZINC001282229830 1325657809 /nfs/dbraw/zinc/65/78/09/1325657809.db2.gz WWYIOPAGRKCBIX-CYBMUJFWSA-N -1 3 348.447 2.063 10 30 EEEEHM C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001283682321 1326199678 /nfs/dbraw/zinc/19/96/78/1326199678.db2.gz IXDNUAUSFSURSP-ZFWWWQNUSA-N -1 3 346.431 2.038 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001287870124 1327553278 /nfs/dbraw/zinc/55/32/78/1327553278.db2.gz XWWIVMMGZKJZBZ-HOCLYGCPSA-N -1 3 328.412 2.305 10 30 EEEEHM C#CCC1(O)CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC001303026838 1331343401 /nfs/dbraw/zinc/34/34/01/1331343401.db2.gz SFJYLBOIHLDXLA-UHFFFAOYSA-N -1 3 344.798 2.172 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001317458578 1332251384 /nfs/dbraw/zinc/25/13/84/1332251384.db2.gz CEZRIOQQQVUPGJ-SFHVURJKSA-N -1 3 332.448 2.210 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N(C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001351524823 1337822274 /nfs/dbraw/zinc/82/22/74/1337822274.db2.gz YYHRXKSWZFFSBI-SFHVURJKSA-N -1 3 343.431 2.139 10 30 EEEEHM C=CC(C)(C)C(=O)NCCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001572110998 1343398839 /nfs/dbraw/zinc/39/88/39/1343398839.db2.gz FEFFGWBVVHVESX-GFCCVEGCSA-N -1 3 343.431 2.185 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572452595 1343495959 /nfs/dbraw/zinc/49/59/59/1343495959.db2.gz DYRSLXCTYHALNU-CABCVRRESA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCC1(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)CCOCC1 ZINC001645533217 1352782148 /nfs/dbraw/zinc/78/21/48/1352782148.db2.gz LCQUQXNVBVRCJK-VIFPVBQESA-N -1 3 332.326 2.374 10 30 EEEEHM Cc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3CCN([O-])C3=O)c2c1 ZINC000816695040 784202456 /nfs/dbraw/zinc/20/24/56/784202456.db2.gz TVWPVESBLQEKNP-HNNXBMFYSA-N -1 3 325.368 2.141 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000820179779 785824054 /nfs/dbraw/zinc/82/40/54/785824054.db2.gz QDODHTBISWPBKI-AWEZNQCLSA-N -1 3 345.786 2.486 10 30 EEEEHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000820475929 785938413 /nfs/dbraw/zinc/93/84/13/785938413.db2.gz CQNLKZNAHAPHEI-SWLSCSKDSA-N -1 3 332.400 2.125 10 30 EEEEHM C=C1CCC(C[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 ZINC000921598326 789842709 /nfs/dbraw/zinc/84/27/09/789842709.db2.gz IVVAQAPTCWYWSK-UHFFFAOYSA-N -1 3 340.376 2.285 10 30 EEEEHM N#Cc1ccc(CSCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000826779513 800422738 /nfs/dbraw/zinc/42/27/38/800422738.db2.gz WMUTWMVMZWRQCC-CQSZACIVSA-N -1 3 342.424 2.236 10 30 EEEEHM C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001450214473 1105289339 /nfs/dbraw/zinc/28/93/39/1105289339.db2.gz IOLWMBJUJGRAIL-CYBMUJFWSA-N -1 3 329.400 2.101 10 30 EEEEHM C=CCC1(C(=O)NC2CC(CNCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001505538058 1114039405 /nfs/dbraw/zinc/03/94/05/1114039405.db2.gz UGIOKZLFQWEKCH-UHFFFAOYSA-N -1 3 347.463 2.021 10 30 EEEEHM C#CCCCC(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001512016493 1118364985 /nfs/dbraw/zinc/36/49/85/1118364985.db2.gz QBPRMZLVGSDOPG-UHFFFAOYSA-N -1 3 326.396 2.084 10 30 EEEEHM C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001522355709 1119364045 /nfs/dbraw/zinc/36/40/45/1119364045.db2.gz FVBGKQBZZMJIEJ-YWZLYKJASA-N -1 3 340.423 2.307 10 30 EEEEHM Cc1cc(C(=O)NCc2ncccc2[O-])nn1-c1cccc(C#N)c1 ZINC000352501565 162161363 /nfs/dbraw/zinc/16/13/63/162161363.db2.gz OUKDDCRDWWWOHP-UHFFFAOYSA-N -1 3 333.351 2.083 10 30 EEEEHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCOC1 ZINC000285260579 266073045 /nfs/dbraw/zinc/07/30/45/266073045.db2.gz HVNOGCSDIRTXPK-CQSZACIVSA-N -1 3 328.821 2.449 10 30 EEEEHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)C2CC2)n1 ZINC000571113796 319726761 /nfs/dbraw/zinc/72/67/61/319726761.db2.gz UCHQCLJSHSPKHS-CQSZACIVSA-N -1 3 348.453 2.456 10 30 EEEEHM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c2c(n1)CCCC2 ZINC000571890148 319796908 /nfs/dbraw/zinc/79/69/08/319796908.db2.gz LENKVWGCVNPKLJ-UHFFFAOYSA-N -1 3 342.424 2.067 10 30 EEEEHM Cc1nc(S(=O)(=O)CCOCCC#N)[n-]c1Cc1ccccc1 ZINC000296029593 465056017 /nfs/dbraw/zinc/05/60/17/465056017.db2.gz VEGKOOHNUGCNFN-UHFFFAOYSA-N -1 3 333.413 2.013 10 30 EEEEHM Cc1[n-]c(S(=O)(=O)CCOCCC#N)nc1Cc1ccccc1 ZINC000296029593 465056019 /nfs/dbraw/zinc/05/60/19/465056019.db2.gz VEGKOOHNUGCNFN-UHFFFAOYSA-N -1 3 333.413 2.013 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000351579490 465233270 /nfs/dbraw/zinc/23/32/70/465233270.db2.gz GRDQGBSJEGGNRG-LBPRGKRZSA-N -1 3 342.829 2.285 10 30 EEEEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C#N)cc1Cl ZINC000120898144 463051981 /nfs/dbraw/zinc/05/19/81/463051981.db2.gz SOXGSLZOJZUXMU-UHFFFAOYSA-N -1 3 333.772 2.018 10 30 EEEEHM C=CCN1CCC(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)CC1 ZINC000171566081 463884587 /nfs/dbraw/zinc/88/45/87/463884587.db2.gz AUVMGIZDDZOKNK-UHFFFAOYSA-N -1 3 341.411 2.329 10 30 EEEEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000420736299 467468779 /nfs/dbraw/zinc/46/87/79/467468779.db2.gz YCUSJGSAPCLINU-OLZOCXBDSA-N -1 3 328.821 2.448 10 30 EEEEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)c(OC)c1 ZINC000528507622 467690683 /nfs/dbraw/zinc/69/06/83/467690683.db2.gz OYCBLMRMGHGIHE-JTQLQIEISA-N -1 3 336.369 2.208 10 30 EEEEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)O1 ZINC000594851232 468705067 /nfs/dbraw/zinc/70/50/67/468705067.db2.gz HYTAGQDRNJYYDZ-ZWNOBZJWSA-N -1 3 328.821 2.448 10 30 EEEEHM CC1(C)CCC(O)(C[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000595350632 468821321 /nfs/dbraw/zinc/82/13/21/468821321.db2.gz GLFSJHSBXPIYIU-UHFFFAOYSA-N -1 3 328.478 2.321 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCN1Cc1ccccc1 ZINC000595392639 468836756 /nfs/dbraw/zinc/83/67/56/468836756.db2.gz KHPNHGASBPRKAN-AWEZNQCLSA-N -1 3 347.465 2.173 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OC ZINC000601503172 468897869 /nfs/dbraw/zinc/89/78/69/468897869.db2.gz ZEJUXVDOYGNBCQ-LLVKDONJSA-N -1 3 335.784 2.265 10 30 EEEEHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557825 469033996 /nfs/dbraw/zinc/03/39/96/469033996.db2.gz FTPXUEVRHQRIKO-RISCZKNCSA-N -1 3 328.459 2.349 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000593564061 469038456 /nfs/dbraw/zinc/03/84/56/469038456.db2.gz KETZKSYFIALLQV-XJKCOSOUSA-N -1 3 330.434 2.484 10 30 EEEEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593586793 469047613 /nfs/dbraw/zinc/04/76/13/469047613.db2.gz BBOPHESQWPEZLO-CQSZACIVSA-N -1 3 328.459 2.229 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)CCCC1 ZINC000612675561 469523101 /nfs/dbraw/zinc/52/31/01/469523101.db2.gz PIZUUIZKFUQRHJ-CQSZACIVSA-N -1 3 344.383 2.002 10 30 EEEEHM CCOC(=O)[C@@H](CSC)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000928285475 682466789 /nfs/dbraw/zinc/46/67/89/682466789.db2.gz WKBSUXPWDSTGQV-GFCCVEGCSA-N -1 3 342.367 2.061 10 30 EEEEHM CCOC(=O)[C@H](CSC)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000928285477 682467195 /nfs/dbraw/zinc/46/71/95/682467195.db2.gz WKBSUXPWDSTGQV-LBPRGKRZSA-N -1 3 342.367 2.061 10 30 EEEEHM C#CCOc1ccc([C@@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000866628549 1201563079 /nfs/dbraw/zinc/56/30/79/1201563079.db2.gz OYIBOOBCGJOYCM-CYBMUJFWSA-N -1 3 339.395 2.118 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867552845 1201632514 /nfs/dbraw/zinc/63/25/14/1201632514.db2.gz PJLNRXXSQQHQEN-UHFFFAOYSA-N -1 3 336.255 2.063 10 30 EEEEHM C=CCOc1ccc(/C=C\C(=O)OCC(=O)[N-]C(=O)OCC)cc1 ZINC000096450193 1215793376 /nfs/dbraw/zinc/79/33/76/1215793376.db2.gz AYBQPXGIXHMLEC-YFHOEESVSA-N -1 3 333.340 2.081 10 30 EEEEHM C#CCCCC(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001687315303 1276597966 /nfs/dbraw/zinc/59/79/66/1276597966.db2.gz IHQVEFXTOTYXTH-UHFFFAOYSA-N -1 3 328.412 2.164 10 30 EEEEHM C=CC(C)(C)CC(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001489076485 1290361340 /nfs/dbraw/zinc/36/13/40/1290361340.db2.gz MOUIGKIDQMQUTM-WAYWQWQTSA-N -1 3 338.839 2.243 10 30 EEEEHM O=C(/C=C\c1csc(C(F)(F)F)c1)N[C@H]1CCCN([O-])C1=O ZINC000861828501 1295555280 /nfs/dbraw/zinc/55/52/80/1295555280.db2.gz SDQNLMCZVIIKRF-TYRPZCRBSA-N -1 3 334.319 2.277 10 30 EEEEHM COCC(COC)NN=C(C)c1ccc(Br)cc1[O-] ZINC000863196028 1296145659 /nfs/dbraw/zinc/14/56/59/1296145659.db2.gz VNDSHBMJSCTVOH-UHFFFAOYSA-N -1 3 331.210 2.130 10 30 EEEEHM C#C[C@@H](C)N(C)c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1CC ZINC001121805445 1310138511 /nfs/dbraw/zinc/13/85/11/1310138511.db2.gz DSEPIXGMXJPEFC-CYBMUJFWSA-N -1 3 336.399 2.314 10 30 EEEEHM CC#CCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001293893028 1328834808 /nfs/dbraw/zinc/83/48/08/1328834808.db2.gz LRMCGQBXVBPZKU-HNNXBMFYSA-N -1 3 328.412 2.307 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001161826607 1320640000 /nfs/dbraw/zinc/64/00/00/1320640000.db2.gz HHWTWGFTWAQZND-OAHLLOKOSA-N -1 3 340.445 2.248 10 30 EEEEHM C[C@H](CNC(=O)c1ncccc1[O-])NCC#Cc1ccccc1Cl ZINC001265769311 1323371303 /nfs/dbraw/zinc/37/13/03/1323371303.db2.gz SKEBCKRYBVZCCG-CYBMUJFWSA-N -1 3 343.814 2.200 10 30 EEEEHM C=CCC1(C(=O)NCC2(NC(=O)c3cn[n-]n3)CCCCC2)CCC1 ZINC001280585642 1324317007 /nfs/dbraw/zinc/31/70/07/1324317007.db2.gz PASJUBQNVFGNNN-UHFFFAOYSA-N -1 3 345.447 2.100 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001286327363 1327374207 /nfs/dbraw/zinc/37/42/07/1327374207.db2.gz DXXGPXVOOXZKSO-ZIAGYGMSSA-N -1 3 346.431 2.004 10 30 EEEEHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cnc(C(N)=O)s3)on2)c1 ZINC001584830565 1348765897 /nfs/dbraw/zinc/76/58/97/1348765897.db2.gz ZIHWHTANLXWQQN-UHFFFAOYSA-N -1 3 339.336 2.021 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccccc2)CC2(CCC2)C1 ZINC001628548313 1352537102 /nfs/dbraw/zinc/53/71/02/1352537102.db2.gz VDQTWZCEKBGSSE-HNNXBMFYSA-N -1 3 328.412 2.385 10 30 EEEEHM C=CCCOCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001681040912 1357945065 /nfs/dbraw/zinc/94/50/65/1357945065.db2.gz KDBNFEAIESKTHF-INIZCTEOSA-N -1 3 348.443 2.246 10 30 EEEEHM C=CC1(CC(=O)N[C@@H](C)C[C@H](C)NC(=O)c2cn[n-]n2)CCCCC1 ZINC001681574709 1358034728 /nfs/dbraw/zinc/03/47/28/1358034728.db2.gz YFPGIIVHNSPAFP-KBPBESRZSA-N -1 3 347.463 2.344 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNC(=O)CC(C)=C(C)C)cc(=O)[n-]1 ZINC001684815623 1358281925 /nfs/dbraw/zinc/28/19/25/1358281925.db2.gz OESFOGHLBXFWDK-UHFFFAOYSA-N -1 3 346.431 2.127 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccccc1C)C(=O)OC ZINC000921383932 773319673 /nfs/dbraw/zinc/31/96/73/773319673.db2.gz FZCGAGCRUBPPHH-HNNXBMFYSA-N -1 3 325.430 2.312 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](c2ncccn2)C2CC2)c(F)c1 ZINC000921417746 773346833 /nfs/dbraw/zinc/34/68/33/773346833.db2.gz PGUZCFAZAIHUPP-OAHLLOKOSA-N -1 3 346.387 2.058 10 30 EEEEHM C#Cc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000940315631 778429831 /nfs/dbraw/zinc/42/98/31/778429831.db2.gz VVCXWLYSXSCNJK-UHFFFAOYSA-N -1 3 348.402 2.362 10 30 EEEEHM C=CCN1CCC(NC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001443532377 1098026592 /nfs/dbraw/zinc/02/65/92/1098026592.db2.gz RJPAZJRFOZTPSN-UHFFFAOYSA-N -1 3 329.375 2.460 10 30 EEEEHM C=CCOCCCC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001497028203 1101855666 /nfs/dbraw/zinc/85/56/66/1101855666.db2.gz REQGFHNVGWSRNY-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC001450266382 1105337712 /nfs/dbraw/zinc/33/77/12/1105337712.db2.gz FVRQEEIPLJFRCS-HNNXBMFYSA-N -1 3 345.330 2.123 10 30 EEEEHM CS(=O)(=O)c1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC001454680286 1107500687 /nfs/dbraw/zinc/50/06/87/1107500687.db2.gz BXSRYFJXCYQRQO-UHFFFAOYSA-N -1 3 344.392 2.005 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@](C)(C2CC2)C1 ZINC001515691856 1118982039 /nfs/dbraw/zinc/98/20/39/1118982039.db2.gz WPULSNWSHAIXQB-QGZVFWFLSA-N -1 3 345.403 2.220 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001527247778 1120729614 /nfs/dbraw/zinc/72/96/14/1120729614.db2.gz CLLBZUKVOJTDJU-HNNXBMFYSA-N -1 3 328.412 2.164 10 30 EEEEHM Cc1c(C#N)c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)nn1C ZINC001537541819 1124008764 /nfs/dbraw/zinc/00/87/64/1124008764.db2.gz JDHVSTQSQVPNGV-UHFFFAOYSA-N -1 3 349.350 2.442 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443908271 268067433 /nfs/dbraw/zinc/06/74/33/268067433.db2.gz OJUGLLQBSSIJQO-AWEZNQCLSA-N -1 3 336.438 2.249 10 30 EEEEHM C#CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724890 463031832 /nfs/dbraw/zinc/03/18/32/463031832.db2.gz TXRRJZBGKNWSSP-UHFFFAOYSA-N -1 3 341.408 2.047 10 30 EEEEHM N#C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000072287890 463498446 /nfs/dbraw/zinc/49/84/46/463498446.db2.gz RBFXILNZLKBCGM-AWEZNQCLSA-N -1 3 340.289 2.196 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000293559987 464411865 /nfs/dbraw/zinc/41/18/65/464411865.db2.gz URELSYBLWPAUCY-AWEZNQCLSA-N -1 3 333.338 2.381 10 30 EEEEHM COC[C@@](C)([N-]S(=O)(=O)c1cc(C#N)ccc1C)C(F)(F)F ZINC000358799830 465329208 /nfs/dbraw/zinc/32/92/08/465329208.db2.gz KSEWWPHAHWOHEC-GFCCVEGCSA-N -1 3 336.335 2.112 10 30 EEEEHM N#C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCN1C1CC1 ZINC000371326020 465715239 /nfs/dbraw/zinc/71/52/39/465715239.db2.gz HPFMNXVKUILZAB-CQSZACIVSA-N -1 3 336.233 2.327 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(C)(C#N)CC1 ZINC000408165626 467521191 /nfs/dbraw/zinc/52/11/91/467521191.db2.gz NEOJUEZHWNWNQZ-UHFFFAOYSA-N -1 3 339.399 2.317 10 30 EEEEHM C=CCCCCCNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000567519668 468172860 /nfs/dbraw/zinc/17/28/60/468172860.db2.gz NHKTYOBXKYWKBM-GOSISDBHSA-N -1 3 329.400 2.217 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)N2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC000594398800 468572308 /nfs/dbraw/zinc/57/23/08/468572308.db2.gz FYFNJNMIYZIUNG-UHFFFAOYSA-N -1 3 349.390 2.235 10 30 EEEEHM N#Cc1cccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594489305 468607065 /nfs/dbraw/zinc/60/70/65/468607065.db2.gz YIJGQKYXNXAAQR-WCQYABFASA-N -1 3 348.346 2.337 10 30 EEEEHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(C)C ZINC000594489987 468607080 /nfs/dbraw/zinc/60/70/80/468607080.db2.gz RETYNWMVAQYITD-LLVKDONJSA-N -1 3 344.458 2.264 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000594789563 468685701 /nfs/dbraw/zinc/68/57/01/468685701.db2.gz NIKVKRWSSGNLMR-OLZOCXBDSA-N -1 3 338.429 2.281 10 30 EEEEHM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000595396115 468838452 /nfs/dbraw/zinc/83/84/52/468838452.db2.gz XZTBLYQCZWMMFT-AAEUAGOBSA-N -1 3 336.438 2.063 10 30 EEEEHM C=CCCSCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601463758 468884924 /nfs/dbraw/zinc/88/49/24/468884924.db2.gz MYCRCIUFIJHQFG-UHFFFAOYSA-N -1 3 343.396 2.027 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)n1ccnc1 ZINC000601525864 468908209 /nfs/dbraw/zinc/90/82/09/468908209.db2.gz GKVUZFIEQMWVBR-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1cccs1 ZINC000593525184 469016588 /nfs/dbraw/zinc/01/65/88/469016588.db2.gz LADVRGUKHQNNDD-SNVBAGLBSA-N -1 3 341.483 2.262 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000593543939 469027553 /nfs/dbraw/zinc/02/75/53/469027553.db2.gz IUBPIDKFPYFFNL-UHFFFAOYSA-N -1 3 334.422 2.076 10 30 EEEEHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000593575942 469043363 /nfs/dbraw/zinc/04/33/63/469043363.db2.gz KQWMEGYYFZXFOX-MRVPVSSYSA-N -1 3 327.456 2.467 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000593608547 469057114 /nfs/dbraw/zinc/05/71/14/469057114.db2.gz LCUBAPCKORBFMW-JTQLQIEISA-N -1 3 328.484 2.431 10 30 EEEEHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000624958313 470050598 /nfs/dbraw/zinc/05/05/98/470050598.db2.gz OKMZUYGYKVFHEB-UHFFFAOYSA-N -1 3 330.400 2.202 10 30 EEEEHM N#Cc1cccc(C2(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)CC2)c1 ZINC000435461516 490794562 /nfs/dbraw/zinc/79/45/62/490794562.db2.gz XLGSFYXQGIYKRU-UHFFFAOYSA-N -1 3 344.378 2.332 10 30 EEEEHM N#Cc1cccc(C2(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)CC2)c1 ZINC000435461516 490794564 /nfs/dbraw/zinc/79/45/64/490794564.db2.gz XLGSFYXQGIYKRU-UHFFFAOYSA-N -1 3 344.378 2.332 10 30 EEEEHM COc1cc(C=NN=c2cc[n-]n2C)ccc1OCC(F)(F)F ZINC000774413108 577398038 /nfs/dbraw/zinc/39/80/38/577398038.db2.gz LBTCAQNLRDNTLQ-UHFFFAOYSA-N -1 3 328.294 2.238 10 30 EEEEHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904187327 694315816 /nfs/dbraw/zinc/31/58/16/694315816.db2.gz IZFHKKDEFSRYBN-MSQAHXEGSA-N -1 3 342.395 2.183 10 30 EEEEHM CCOC(=O)C1(CC(=O)N([O-])Cc2ccc(F)cc2)CCOCC1 ZINC000904178160 694321130 /nfs/dbraw/zinc/32/11/30/694321130.db2.gz AFKISUJDPJORBO-UHFFFAOYSA-N -1 3 339.363 2.294 10 30 EEEEHM CCCCCCN([O-])C(=O)CSCC(=O)Nc1cc(C)on1 ZINC000904206064 694328447 /nfs/dbraw/zinc/32/84/47/694328447.db2.gz ZZQNUUKLSYQXSG-UHFFFAOYSA-N -1 3 329.422 2.453 10 30 EEEEHM N#CCn1c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc2ccccc21 ZINC000898213717 691896652 /nfs/dbraw/zinc/89/66/52/691896652.db2.gz ZNYGIEKCLLIGDT-CYBMUJFWSA-N -1 3 335.367 2.223 10 30 EEEEHM C=CCCC(=O)NC[C@@H](NCc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC001266400544 1176480735 /nfs/dbraw/zinc/48/07/35/1176480735.db2.gz BLZPUQFQMSMRQY-CYBMUJFWSA-N -1 3 346.456 2.348 10 30 EEEEHM C=CCC(C)(C)C(=O)N(C)CC[C@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001487063842 1197173809 /nfs/dbraw/zinc/17/38/09/1197173809.db2.gz PKLKTPSXAUOMRQ-ZDUSSCGKSA-N -1 3 335.452 2.010 10 30 EEEEHM C#CCC1(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCCC1 ZINC000933265682 1207749848 /nfs/dbraw/zinc/74/98/48/1207749848.db2.gz GDHHMRDGWAGGOK-UHFFFAOYSA-N -1 3 331.441 2.324 10 30 EEEEHM CC(=N[N-]S(=O)(=O)Cc1ccc(F)cc1)c1scnc1C ZINC000254290649 1217294499 /nfs/dbraw/zinc/29/44/99/1217294499.db2.gz MRACLBXZDDAFEU-UHFFFAOYSA-N -1 3 327.406 2.434 10 30 EEEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867407062 1289777048 /nfs/dbraw/zinc/77/70/48/1289777048.db2.gz KVEBKFBSGNHAPZ-XOBRGWDASA-N -1 3 330.475 2.126 10 30 EEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000859427829 1294436662 /nfs/dbraw/zinc/43/66/62/1294436662.db2.gz OKDKTXGOSVPQJK-SNVBAGLBSA-N -1 3 339.310 2.161 10 30 EEEEHM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000796745291 1304570523 /nfs/dbraw/zinc/57/05/23/1304570523.db2.gz IGIYRVCPTVXDQX-LBPRGKRZSA-N -1 3 331.763 2.474 10 30 EEEEHM C#C[C@H](C)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1Cc1ccccc1 ZINC001122162346 1310233079 /nfs/dbraw/zinc/23/30/79/1310233079.db2.gz RQFYQHQMIXYJCI-NSHDSACASA-N -1 3 341.806 2.223 10 30 EEEEHM C#C[C@H](C)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1Cc1ccccc1 ZINC001122162346 1310233089 /nfs/dbraw/zinc/23/30/89/1310233089.db2.gz RQFYQHQMIXYJCI-NSHDSACASA-N -1 3 341.806 2.223 10 30 EEEEHM C=CCO[C@@H]1CCN(c2nnc(-c3c[n-]oc3=O)n2CC(C)C)C1 ZINC001122692364 1310370865 /nfs/dbraw/zinc/37/08/65/1310370865.db2.gz ACZHNPJAQCDHJB-GFCCVEGCSA-N -1 3 333.392 2.076 10 30 EEEEHM C=CCO[C@H]1CCN(c2nnc(-c3c[n-]oc3=O)n2CC(C)C)C1 ZINC001122692365 1310371551 /nfs/dbraw/zinc/37/15/51/1310371551.db2.gz ACZHNPJAQCDHJB-LBPRGKRZSA-N -1 3 333.392 2.076 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCN(c3ccc(F)cc3)C2)c1[O-] ZINC000840714004 1315401862 /nfs/dbraw/zinc/40/18/62/1315401862.db2.gz WOERRNHFHHTHAD-ICFKLBPISA-N -1 3 329.375 2.425 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)c2cccc(C#CCO)c2)c([O-])c1 ZINC001153027769 1316762471 /nfs/dbraw/zinc/76/24/71/1316762471.db2.gz OXLPSMJIKTUIKS-UHFFFAOYSA-N -1 3 339.347 2.165 10 30 EEEEHM C=CCNc1ncc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC001161433267 1320499373 /nfs/dbraw/zinc/49/93/73/1320499373.db2.gz LTUIESXXMXZUAB-UHFFFAOYSA-N -1 3 345.363 2.313 10 30 EEEEHM C=CCNc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC001161433267 1320499375 /nfs/dbraw/zinc/49/93/75/1320499375.db2.gz LTUIESXXMXZUAB-UHFFFAOYSA-N -1 3 345.363 2.313 10 30 EEEEHM C=C(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001280718362 1324435194 /nfs/dbraw/zinc/43/51/94/1324435194.db2.gz BYWVXHIYCUROFW-YOEHRIQHSA-N -1 3 346.427 2.094 10 30 EEEEHM C#CCCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298114734 1330036807 /nfs/dbraw/zinc/03/68/07/1330036807.db2.gz ZAJAPGDYZLHCKY-GOEBONIOSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCCCC(=O)N1C[C@H](NC(=O)c2cccc3n[n-]nc32)C[C@@H]1C ZINC001338145025 1336801448 /nfs/dbraw/zinc/80/14/48/1336801448.db2.gz CTZFWWXOCBLUBZ-QWHCGFSZSA-N -1 3 341.415 2.033 10 30 EEEEHM C=CCCCC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)C[C@@H]1C ZINC001338145027 1336801654 /nfs/dbraw/zinc/80/16/54/1336801654.db2.gz CTZFWWXOCBLUBZ-STQMWFEESA-N -1 3 341.415 2.033 10 30 EEEEHM C[C@@H](C#N)C(=O)NCCCCCCN(C)C(=O)c1ccccc1[O-] ZINC001344686239 1337410514 /nfs/dbraw/zinc/41/05/14/1337410514.db2.gz GVNICRZKYUDLNL-AWEZNQCLSA-N -1 3 331.416 2.300 10 30 EEEEHM O=C(c1cccc(-n2cncn2)n1)N([O-])Cc1ccccc1Cl ZINC001611651029 1352303282 /nfs/dbraw/zinc/30/32/82/1352303282.db2.gz WBRKMJRKGPHKRL-UHFFFAOYSA-N -1 3 329.747 2.347 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)nc1 ZINC001618772673 1352353182 /nfs/dbraw/zinc/35/31/82/1352353182.db2.gz CELCQCSGMOUQMS-UHFFFAOYSA-N -1 3 334.335 2.368 10 30 EEEEHM CN(CC(C)(C)CNC(=O)C#CC1CC1)C(=O)c1ccccc1[O-] ZINC001677996636 1357453068 /nfs/dbraw/zinc/45/30/68/1357453068.db2.gz SZJNFYKUXONWBN-UHFFFAOYSA-N -1 3 328.412 2.020 10 30 EEEEHM CC1CCN(c2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)CC1 ZINC001625082834 1352439887 /nfs/dbraw/zinc/43/98/87/1352439887.db2.gz USEDYMBRZAZZKO-INIZCTEOSA-N -1 3 331.416 2.033 10 30 EEEEHM C=C(C)CCC(=O)N[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001660826076 1354545812 /nfs/dbraw/zinc/54/58/12/1354545812.db2.gz FJOQYBUYHCCIAX-HNNXBMFYSA-N -1 3 344.459 2.497 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001684060638 1358217923 /nfs/dbraw/zinc/21/79/23/1358217923.db2.gz OGZPYBADEDIYOE-CABCVRRESA-N -1 3 346.427 2.046 10 30 EEEEHM C=C(C)CCC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)=CCC)n1 ZINC001684815865 1358281662 /nfs/dbraw/zinc/28/16/62/1358281662.db2.gz POEZLOMGXKQOOM-AWNIVKPZSA-N -1 3 346.431 2.127 10 30 EEEEHM C=C[C@H](CC)CC(=O)N(CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001688400584 1358945751 /nfs/dbraw/zinc/94/57/51/1358945751.db2.gz HLGIUPYOXHWRTR-CYBMUJFWSA-N -1 3 343.431 2.139 10 30 EEEEHM C#CCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780513992 761225669 /nfs/dbraw/zinc/22/56/69/761225669.db2.gz RDUJCZQYVQCBLM-SFHVURJKSA-N -1 3 336.391 2.393 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCCc1ccccc1)C(=O)OC ZINC000918792619 769398404 /nfs/dbraw/zinc/39/84/04/769398404.db2.gz NEOBNAADVLHGLY-HNNXBMFYSA-N -1 3 325.430 2.046 10 30 EEEEHM O=C(CCc1cccc(OC2CCCC2)c1)N[C@H]1CCN([O-])C1=O ZINC000816693210 784200558 /nfs/dbraw/zinc/20/05/58/784200558.db2.gz FTMJIHGVZZCFLZ-INIZCTEOSA-N -1 3 332.400 2.047 10 30 EEEEHM CC(C)(C)c1ccc(OCCCC(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000816693722 784200903 /nfs/dbraw/zinc/20/09/03/784200903.db2.gz QOIOZVQKZGAQBG-HNNXBMFYSA-N -1 3 334.416 2.249 10 30 EEEEHM CCc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br ZINC000908407301 785390041 /nfs/dbraw/zinc/39/00/41/785390041.db2.gz VLRVBJFCBVUDQI-LBPRGKRZSA-N -1 3 341.205 2.122 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908858113 785797668 /nfs/dbraw/zinc/79/76/68/785797668.db2.gz GOADIISDEMMFJZ-HZPDHXFCSA-N -1 3 333.432 2.316 10 30 EEEEHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820179694 785824106 /nfs/dbraw/zinc/82/41/06/785824106.db2.gz OKBWDPFCMKAUKT-OAHLLOKOSA-N -1 3 327.384 2.122 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(OCC2CCCCC2)cc1 ZINC000820179382 785825225 /nfs/dbraw/zinc/82/52/25/785825225.db2.gz JWSOFLJVVWNCIN-INIZCTEOSA-N -1 3 332.400 2.366 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCCCC1 ZINC000922028369 798718309 /nfs/dbraw/zinc/71/83/09/798718309.db2.gz FQJMICNOYWREFZ-UHFFFAOYSA-N -1 3 329.853 2.386 10 30 EEEEHM CC[C@@H](C#N)C(=O)Nc1ccc(I)cc1[O-] ZINC001447631644 1102999483 /nfs/dbraw/zinc/99/94/83/1102999483.db2.gz UNWWOMRUUWNRPD-ZETCQYMHSA-N -1 3 330.125 2.485 10 30 EEEEHM C=CCCSCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001464037564 1110385769 /nfs/dbraw/zinc/38/57/69/1110385769.db2.gz VQPURDSCTREMSF-UHFFFAOYSA-N -1 3 347.849 2.464 10 30 EEEEHM C=CCCC(=O)NCC1(NC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC001499486872 1112317688 /nfs/dbraw/zinc/31/76/88/1112317688.db2.gz BMLKNXNDZMYTTJ-UHFFFAOYSA-N -1 3 341.415 2.083 10 30 EEEEHM C#CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001508262452 1115463414 /nfs/dbraw/zinc/46/34/14/1115463414.db2.gz ZIXNZDAIJUDTHW-OAHLLOKOSA-N -1 3 328.412 2.259 10 30 EEEEHM C#CCCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001511412069 1118123855 /nfs/dbraw/zinc/12/38/55/1118123855.db2.gz NDRJJVPGELXCTJ-CABCVRRESA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCN1CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000442739681 242104774 /nfs/dbraw/zinc/10/47/74/242104774.db2.gz CTWOGISTBJOJEC-UHFFFAOYSA-N -1 3 349.378 2.029 10 30 EEEEHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)o1 ZINC000451961567 243328029 /nfs/dbraw/zinc/32/80/29/243328029.db2.gz TWGLIHDQUWCIGZ-UHFFFAOYSA-N -1 3 337.376 2.257 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000416649815 268182609 /nfs/dbraw/zinc/18/26/09/268182609.db2.gz JIYBPNIGNVEZJP-MFKMUULPSA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C#N)cc2C)C2CC2)no1 ZINC000567430513 319378653 /nfs/dbraw/zinc/37/86/53/319378653.db2.gz KKAYMGBJTIZQBR-INIZCTEOSA-N -1 3 346.412 2.162 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C2CCCC2)c(Cl)c1 ZINC000096001977 463136767 /nfs/dbraw/zinc/13/67/67/463136767.db2.gz HRCYDGNHPSRSTA-ZDUSSCGKSA-N -1 3 328.821 2.041 10 30 EEEEHM CCOC(=O)c1ccc(C(=O)[N-]c2snc(C)c2C#N)nc1C ZINC000298601637 465447261 /nfs/dbraw/zinc/44/72/61/465447261.db2.gz JSDHTEMVKMHBSW-UHFFFAOYSA-N -1 3 330.369 2.456 10 30 EEEEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000274366831 464742650 /nfs/dbraw/zinc/74/26/50/464742650.db2.gz NSUQPESZSXSOAR-AWEZNQCLSA-N -1 3 341.389 2.210 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)cs1 ZINC000360234119 465546622 /nfs/dbraw/zinc/54/66/22/465546622.db2.gz LUVSCFBVVQLBMP-UHFFFAOYSA-N -1 3 339.417 2.336 10 30 EEEEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000352863841 465561926 /nfs/dbraw/zinc/56/19/26/465561926.db2.gz WZDIFRLCEAMYNR-UHFFFAOYSA-N -1 3 349.456 2.191 10 30 EEEEHM CC(=O)c1ccc(C#N)cc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000302658840 466163318 /nfs/dbraw/zinc/16/33/18/466163318.db2.gz ONRKKCBIFJICHO-UHFFFAOYSA-N -1 3 349.390 2.429 10 30 EEEEHM COc1cc(CNC(=O)NCc2ccc([O-])c(F)c2)ccc1C#N ZINC000358253002 466572370 /nfs/dbraw/zinc/57/23/70/466572370.db2.gz GFSHOMNXVHVTFH-UHFFFAOYSA-N -1 3 329.331 2.411 10 30 EEEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000528412991 467683193 /nfs/dbraw/zinc/68/31/93/467683193.db2.gz WXQLFXCCJVDNSZ-OWCLPIDISA-N -1 3 343.420 2.166 10 30 EEEEHM COCC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(C)o1 ZINC000489708819 468162051 /nfs/dbraw/zinc/16/20/51/468162051.db2.gz ZPFKVSKFEHBYRX-OAHLLOKOSA-N -1 3 349.412 2.219 10 30 EEEEHM CCCN(C)CC(C)(C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000595380742 468832197 /nfs/dbraw/zinc/83/21/97/468832197.db2.gz CGXFDGYWLDSENT-UHFFFAOYSA-N -1 3 345.415 2.235 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2c(c1)CCCO2 ZINC000595417017 468845429 /nfs/dbraw/zinc/84/54/29/468845429.db2.gz WZIHZCRGNXLWHS-LBPRGKRZSA-N -1 3 343.408 2.318 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000593545014 469027765 /nfs/dbraw/zinc/02/77/65/469027765.db2.gz OYMODLUROZJRNZ-CYBMUJFWSA-N -1 3 334.422 2.212 10 30 EEEEHM COC(=O)CC1([N-]S(=O)(=O)c2ccsc2C#N)CCCCC1 ZINC000593557884 469034746 /nfs/dbraw/zinc/03/47/46/469034746.db2.gz SVFLYDWSKHEJPM-UHFFFAOYSA-N -1 3 342.442 2.164 10 30 EEEEHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1(C)C ZINC000593577141 469044417 /nfs/dbraw/zinc/04/44/17/469044417.db2.gz AWUWYWUCYMBAHE-STQMWFEESA-N -1 3 328.459 2.490 10 30 EEEEHM N#CC1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC1 ZINC000593623767 469064459 /nfs/dbraw/zinc/06/44/59/469064459.db2.gz PKVCAWAINZCAPR-UHFFFAOYSA-N -1 3 333.335 2.463 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593631500 469069435 /nfs/dbraw/zinc/06/94/35/469069435.db2.gz IZXCPKKALSVXJS-MRXNPFEDSA-N -1 3 338.404 2.181 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1CCCCO1 ZINC000619548092 469636902 /nfs/dbraw/zinc/63/69/02/469636902.db2.gz MEESHTSKLHKZEB-LBPRGKRZSA-N -1 3 328.459 2.493 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000620314760 469810086 /nfs/dbraw/zinc/81/00/86/469810086.db2.gz PQMJJZRLAVOFHA-RWMBFGLXSA-N -1 3 340.470 2.125 10 30 EEEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c1 ZINC000656619325 471785337 /nfs/dbraw/zinc/78/53/37/471785337.db2.gz MXCHUZIOFXMHMN-CJNGLKHVSA-N -1 3 341.429 2.045 10 30 EEEEHM Cc1cc(=O)[n-]c(CN2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000769921286 577587155 /nfs/dbraw/zinc/58/71/55/577587155.db2.gz OJMKFDYDQUAJDB-UHFFFAOYSA-N -1 3 343.818 2.338 10 30 EEEEHM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc([O-])cn2)C1=O ZINC000755610885 577827915 /nfs/dbraw/zinc/82/79/15/577827915.db2.gz YZAKZQIOCSRIHU-GOSISDBHSA-N -1 3 338.367 2.064 10 30 EEEEHM O=C(CNC(=O)c1ccc([O-])cc1)OCC#Cc1ccccc1Cl ZINC000747049219 577938502 /nfs/dbraw/zinc/93/85/02/577938502.db2.gz HIAXSFJVEZLMET-UHFFFAOYSA-N -1 3 343.766 2.370 10 30 EEEEHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)n1ccc(C=N[O-])nc1=O ZINC000736302745 578194332 /nfs/dbraw/zinc/19/43/32/578194332.db2.gz PFNAPPLLIJIDKN-CQSZACIVSA-N -1 3 342.399 2.050 10 30 EEEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cnc2ccccc2n1 ZINC000125113845 686919451 /nfs/dbraw/zinc/91/94/51/686919451.db2.gz LXPYGVKQFGEEGJ-MYSGNRETSA-N -1 3 343.346 2.386 10 30 EEEEHM CC(C)[C@@H]1C[C@@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184483 694314815 /nfs/dbraw/zinc/31/48/15/694314815.db2.gz RPYQHXZHVHMJCW-GJZGRUSLSA-N -1 3 330.384 2.183 10 30 EEEEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192867 694324265 /nfs/dbraw/zinc/32/42/65/694324265.db2.gz ZARNHIBLVQWYMV-QWHCGFSZSA-N -1 3 341.791 2.416 10 30 EEEEHM C=CCN(C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1)C1CC1 ZINC000897599509 691668481 /nfs/dbraw/zinc/66/84/81/691668481.db2.gz NXAYCGVOYLDKAR-CYBMUJFWSA-N -1 3 345.447 2.244 10 30 EEEEHM C=C1CCN(C(=O)N[C@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)CC1 ZINC000897603167 691673217 /nfs/dbraw/zinc/67/32/17/691673217.db2.gz MYLYEIHOTJYTFV-AWEZNQCLSA-N -1 3 345.447 2.246 10 30 EEEEHM COc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000122996280 1200541494 /nfs/dbraw/zinc/54/14/94/1200541494.db2.gz UDPJNRVJOFFOKT-DIECRNLCSA-N -1 3 339.351 2.042 10 30 EEEEHM C#CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000881890937 1201783381 /nfs/dbraw/zinc/78/33/81/1201783381.db2.gz UMINFWFHAWMRAM-UHFFFAOYSA-N -1 3 347.190 2.047 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001299506477 1205310995 /nfs/dbraw/zinc/31/09/95/1205310995.db2.gz YAAPRVBGYCYMKZ-AUUYWEPGSA-N -1 3 346.427 2.094 10 30 EEEEHM C#CCC1(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001488163138 1286877228 /nfs/dbraw/zinc/87/72/28/1286877228.db2.gz AUCFCHBRKOSDLM-CABCVRRESA-N -1 3 340.423 2.305 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000862394794 1295824542 /nfs/dbraw/zinc/82/45/42/1295824542.db2.gz QXBXHDJQGHOJLA-UHFFFAOYSA-N -1 3 345.374 2.206 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000862394794 1295824550 /nfs/dbraw/zinc/82/45/50/1295824550.db2.gz QXBXHDJQGHOJLA-UHFFFAOYSA-N -1 3 345.374 2.206 10 30 EEEEHM C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001691711558 1296820955 /nfs/dbraw/zinc/82/09/55/1296820955.db2.gz FYKIJBGLIZXSER-DOMZBBRYSA-N -1 3 344.459 2.351 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@](C)(CC)CCC)n1 ZINC001264028260 1322588523 /nfs/dbraw/zinc/58/85/23/1322588523.db2.gz PVAHTSMPDGRROO-SFHVURJKSA-N -1 3 332.448 2.128 10 30 EEEEHM N#CCNC[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC001264038138 1322594885 /nfs/dbraw/zinc/59/48/85/1322594885.db2.gz FKXIXLMPPIIJLN-YPMHNXCESA-N -1 3 341.333 2.146 10 30 EEEEHM C#CCCCC(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001280956813 1324671222 /nfs/dbraw/zinc/67/12/22/1324671222.db2.gz MNZBPDDJXWALDX-INIZCTEOSA-N -1 3 328.412 2.163 10 30 EEEEHM C=CC1(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H]2C)CCCCC1 ZINC001281144126 1324790747 /nfs/dbraw/zinc/79/07/47/1324790747.db2.gz DIJMXIWLQRPFTC-ZIAGYGMSSA-N -1 3 345.447 2.051 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001282408696 1325712710 /nfs/dbraw/zinc/71/27/10/1325712710.db2.gz ZVUGHPGOSHLTPC-UONOGXRCSA-N -1 3 347.463 2.154 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001284111119 1326412042 /nfs/dbraw/zinc/41/20/42/1326412042.db2.gz COOJCXNMDKNLMF-HNNXBMFYSA-N -1 3 328.412 2.020 10 30 EEEEHM C[C@H](CCNC(=O)CC(F)(F)C(F)(F)F)[N-]C(=O)C(C)(F)F ZINC001284440482 1326556267 /nfs/dbraw/zinc/55/62/67/1326556267.db2.gz YLFDOERFFHZIQK-ZCFIWIBFSA-N -1 3 340.239 2.240 10 30 EEEEHM C=CCC1(C(=O)NC2CN(C(=O)c3ccccc3[O-])C2)CCCC1 ZINC001284922302 1326777635 /nfs/dbraw/zinc/77/76/35/1326777635.db2.gz LNMDSZVBSDXTIU-UHFFFAOYSA-N -1 3 328.412 2.469 10 30 EEEEHM C=CCC(C)(C)C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288216111 1327672400 /nfs/dbraw/zinc/67/24/00/1327672400.db2.gz FVPDORWKCQCACE-ZDUSSCGKSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCNC(=O)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001291851013 1328340784 /nfs/dbraw/zinc/34/07/84/1328340784.db2.gz VCDULKGSANRLBK-UHFFFAOYSA-N -1 3 338.367 2.228 10 30 EEEEHM C=C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC001298800461 1330122668 /nfs/dbraw/zinc/12/26/68/1330122668.db2.gz QQYNNKGSIFWACO-ZDUSSCGKSA-N -1 3 337.379 2.491 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001323277348 1333429753 /nfs/dbraw/zinc/42/97/53/1333429753.db2.gz KWJKLIZXEOZXBI-HNNXBMFYSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001334417477 1336251165 /nfs/dbraw/zinc/25/11/65/1336251165.db2.gz CEFFYEGMIRUGDI-AUUYWEPGSA-N -1 3 348.443 2.198 10 30 EEEEHM C#CCCCCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001350825629 1337758758 /nfs/dbraw/zinc/75/87/58/1337758758.db2.gz XIAAMCZKHSKCJE-UHFFFAOYSA-N -1 3 328.412 2.307 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@@H](OC3CCC3)CC1)cc2=O ZINC001434483156 1341854568 /nfs/dbraw/zinc/85/45/68/1341854568.db2.gz HCTSYHKLEGLOKK-MRXNPFEDSA-N -1 3 341.415 2.230 10 30 EEEEHM C#CCCCC(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001576441600 1344016486 /nfs/dbraw/zinc/01/64/86/1344016486.db2.gz HRTKFMOIJKLXGB-UHFFFAOYSA-N -1 3 328.412 2.164 10 30 EEEEHM C#CC[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)OC ZINC001626188321 1351270782 /nfs/dbraw/zinc/27/07/82/1351270782.db2.gz VTDBYWLDGUENMV-QGZVFWFLSA-N -1 3 337.375 2.278 10 30 EEEEHM CCCCCCCN1CC(N(C)C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001671197308 1352718750 /nfs/dbraw/zinc/71/87/50/1352718750.db2.gz KJBJSWUDAJEVNZ-UHFFFAOYSA-N -1 3 348.491 2.455 10 30 EEEEHM C=CC(C)(C)CC(=O)NCc1nc(CNCC(=C)Cl)cc(=O)[n-]1 ZINC001656639748 1354255409 /nfs/dbraw/zinc/25/54/09/1354255409.db2.gz OFYYATRPNZEYDT-UHFFFAOYSA-N -1 3 338.839 2.243 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OCC ZINC001663905398 1355051760 /nfs/dbraw/zinc/05/17/60/1355051760.db2.gz MVMSZONEVMSTSS-CYBMUJFWSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001675417384 1356974921 /nfs/dbraw/zinc/97/49/21/1356974921.db2.gz HHMDYTBYOYZOCD-KXBFYZLASA-N -1 3 345.443 2.059 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C(=O)OC ZINC000918791875 769397183 /nfs/dbraw/zinc/39/71/83/769397183.db2.gz BJUBEBZISGPJFZ-SOUVJXGZSA-N -1 3 341.404 2.109 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H](C)C(=O)OCc2ccccc2)c1[O-] ZINC000846755545 790499216 /nfs/dbraw/zinc/49/92/16/790499216.db2.gz BRGVWDQKMWXKEC-QOJWJBQSSA-N -1 3 328.368 2.139 10 30 EEEEHM C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCN([O-])C4=O)cc3c2C1 ZINC000816692947 784200725 /nfs/dbraw/zinc/20/07/25/784200725.db2.gz YUEMLBCASSWONL-QLJPJBMISA-N -1 3 327.384 2.013 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000816696410 784202497 /nfs/dbraw/zinc/20/24/97/784202497.db2.gz YALMDDOSVQMWPV-QJPTWQEYSA-N -1 3 329.183 2.203 10 30 EEEEHM C=CCCC[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908742461 785681495 /nfs/dbraw/zinc/68/14/95/785681495.db2.gz OPOWXLQBGPSZEA-JKSUJKDBSA-N -1 3 333.432 2.398 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc2ccccc2cc1OC(F)F ZINC000820179741 785824141 /nfs/dbraw/zinc/82/41/41/785824141.db2.gz PLDAUDKNDZNWHN-GFCCVEGCSA-N -1 3 336.294 2.161 10 30 EEEEHM Cc1ccc(-n2ncc(C(=O)N[C@H]3CCN([O-])C3=O)c2C(C)C)cc1 ZINC000820185410 785828328 /nfs/dbraw/zinc/82/83/28/785828328.db2.gz ODCZIXHUIQZBBT-HNNXBMFYSA-N -1 3 342.399 2.024 10 30 EEEEHM C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001445382876 1091125667 /nfs/dbraw/zinc/12/56/67/1091125667.db2.gz VNTASOBQKKSIGK-UONOGXRCSA-N -1 3 329.400 2.005 10 30 EEEEHM Cc1cc(C#N)cc(N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001458458410 1109876005 /nfs/dbraw/zinc/87/60/05/1109876005.db2.gz UYUKITHTKBVQEK-VXGBXAGGSA-N -1 3 325.372 2.438 10 30 EEEEHM C#CCCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001511143442 1117964882 /nfs/dbraw/zinc/96/48/82/1117964882.db2.gz KUKJPKPMNAINDL-HOCLYGCPSA-N -1 3 328.412 2.305 10 30 EEEEHM C=CCOCCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511210151 1118000929 /nfs/dbraw/zinc/00/09/29/1118000929.db2.gz CFASSLCASYHPOO-CABCVRRESA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCN(CC(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000058212809 214505993 /nfs/dbraw/zinc/50/59/93/214505993.db2.gz SAIAFPDCPRWGQX-UHFFFAOYSA-N -1 3 327.262 2.152 10 30 EEEEHM N#Cc1ccccc1[N-]C(=O)c1nn2c(nnc2C(F)(F)F)s1 ZINC000049660906 214025207 /nfs/dbraw/zinc/02/52/07/214025207.db2.gz FYIWOYRLONQELI-UHFFFAOYSA-N -1 3 338.274 2.329 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NOCc1ccc(F)cc1 ZINC000184240711 235344514 /nfs/dbraw/zinc/34/45/14/235344514.db2.gz CUDMPXCBFGOLAO-UHFFFAOYSA-N -1 3 343.358 2.183 10 30 EEEEHM COC(=O)c1cccc(C(=O)NC(=S)[N-]c2ccccc2C#N)c1 ZINC000010011723 211141335 /nfs/dbraw/zinc/14/13/35/211141335.db2.gz PIMJPBURGIUADF-UHFFFAOYSA-N -1 3 339.376 2.472 10 30 EEEEHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000352246565 153021366 /nfs/dbraw/zinc/02/13/66/153021366.db2.gz IOCLVAKQYBIRFN-JTQLQIEISA-N -1 3 335.360 2.140 10 30 EEEEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416476178 267139985 /nfs/dbraw/zinc/13/99/85/267139985.db2.gz XDTFBKDLKIPQLP-VIFPVBQESA-N -1 3 347.234 2.024 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000582520528 324467994 /nfs/dbraw/zinc/46/79/94/324467994.db2.gz COWUEKNSXYCYSA-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2=CCOCC2)c(C(F)(F)F)c1 ZINC000583606362 324695458 /nfs/dbraw/zinc/69/54/58/324695458.db2.gz QZXBYRFQEJRUDC-UHFFFAOYSA-N -1 3 346.330 2.202 10 30 EEEEHM C[C@H](CN1CCOCC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000328592710 465063828 /nfs/dbraw/zinc/06/38/28/465063828.db2.gz KWCWTPUPYPZHPG-SNVBAGLBSA-N -1 3 332.322 2.436 10 30 EEEEHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000351109776 465074842 /nfs/dbraw/zinc/07/48/42/465074842.db2.gz OSIIFYUXPYENOA-JTQLQIEISA-N -1 3 339.364 2.024 10 30 EEEEHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)nc2ccccc12 ZINC000544722715 468402181 /nfs/dbraw/zinc/40/21/81/468402181.db2.gz FLCBEJNUCVXAFX-UHFFFAOYSA-N -1 3 344.440 2.442 10 30 EEEEHM COc1ccccc1N1CC[C@@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000268066154 464947965 /nfs/dbraw/zinc/94/79/65/464947965.db2.gz HKIPZUVMNRYWIS-SBUZPKSBSA-N -1 3 341.411 2.294 10 30 EEEEHM N#CCCC[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccccc1 ZINC000342857201 465361043 /nfs/dbraw/zinc/36/10/43/465361043.db2.gz KCMVLUZPYYUFMI-GFCCVEGCSA-N -1 3 329.385 2.028 10 30 EEEEHM COC(=O)c1cc(C(=O)[N-]c2nc(C)c(SCC#N)s2)no1 ZINC000362679629 465933591 /nfs/dbraw/zinc/93/35/91/465933591.db2.gz CXBWKAVUTNMTFP-UHFFFAOYSA-N -1 3 338.370 2.094 10 30 EEEEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(Cl)c1 ZINC000416670631 466746042 /nfs/dbraw/zinc/74/60/42/466746042.db2.gz LWYYLYJCJRPZKE-UHFFFAOYSA-N -1 3 342.804 2.099 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000425180626 467087687 /nfs/dbraw/zinc/08/76/87/467087687.db2.gz SXTYFSDVPPUIQV-AAEUAGOBSA-N -1 3 326.805 2.081 10 30 EEEEHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2cc(F)c(C#N)c(F)c2)c1 ZINC000572060581 468879354 /nfs/dbraw/zinc/87/93/54/468879354.db2.gz PMWQAFRQVXALPS-UHFFFAOYSA-N -1 3 340.355 2.092 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OC ZINC000601502631 468897846 /nfs/dbraw/zinc/89/78/46/468897846.db2.gz RLNDMHXJTSHFEB-LLVKDONJSA-N -1 3 335.784 2.265 10 30 EEEEHM C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001719818289 1179576095 /nfs/dbraw/zinc/57/60/95/1179576095.db2.gz IEHXIHPQZZLOFW-PVAVHDDUSA-N -1 3 340.423 2.448 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)CC1 ZINC000872669679 1198325126 /nfs/dbraw/zinc/32/51/26/1198325126.db2.gz NYSJEYBTLRVOIF-AULYBMBSSA-N -1 3 339.388 2.083 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)[C@H](CCC)C(=O)OCC)c1ccc(F)cc1 ZINC000882212236 1201832304 /nfs/dbraw/zinc/83/23/04/1201832304.db2.gz GYULCBPEFDKEPO-LSDHHAIUSA-N -1 3 341.404 2.151 10 30 EEEEHM C#CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CCN(C)CC1 ZINC000886576186 1202526310 /nfs/dbraw/zinc/52/63/10/1202526310.db2.gz ZLDNNGGMIRKTAR-UHFFFAOYSA-N -1 3 329.425 2.286 10 30 EEEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001189864247 1280524539 /nfs/dbraw/zinc/52/45/39/1280524539.db2.gz XWHZLEVKHRTORJ-QMMMGPOBSA-N -1 3 329.834 2.425 10 30 EEEEHM C[C@@H]1C(NN=c2ncc(Cl)c[n-]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000857221292 1293761736 /nfs/dbraw/zinc/76/17/36/1293761736.db2.gz XSHCTRCVKAMEOG-MRVPVSSYSA-N -1 3 339.783 2.454 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](OC)CC[C@@H]1C ZINC001122585199 1310340579 /nfs/dbraw/zinc/34/05/79/1310340579.db2.gz AVEVJGLGEJYVPC-NWDGAFQWSA-N -1 3 333.392 2.219 10 30 EEEEHM CC(C)C#CC(=O)N1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001287357030 1327483416 /nfs/dbraw/zinc/48/34/16/1327483416.db2.gz IVRSSFGINLLHBL-UHFFFAOYSA-N -1 3 328.412 2.115 10 30 EEEEHM C=C(C)CCC(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)(C)C)n1 ZINC001290364630 1328182480 /nfs/dbraw/zinc/18/24/80/1328182480.db2.gz VARJXOCPUIDWQH-UHFFFAOYSA-N -1 3 348.447 2.207 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001298425973 1330076863 /nfs/dbraw/zinc/07/68/63/1330076863.db2.gz MBTOVDZFLQGKHH-CYBMUJFWSA-N -1 3 347.758 2.247 10 30 EEEEHM C#CC[C@@H](CCOC)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001301815619 1331312262 /nfs/dbraw/zinc/31/22/62/1331312262.db2.gz ZIUXTVQNJZAQPB-NSHDSACASA-N -1 3 332.787 2.340 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001346356220 1337483231 /nfs/dbraw/zinc/48/32/31/1337483231.db2.gz RVNLTDXGHDAWLO-YPMHNXCESA-N -1 3 332.383 2.201 10 30 EEEEHM CCCCCCN([O-])C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC001611655694 1352303244 /nfs/dbraw/zinc/30/32/44/1352303244.db2.gz NTTBHCXTFWGXSC-UHFFFAOYSA-N -1 3 346.424 2.292 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCc1nc(CNC(=O)C(C)(C)C)cc(=O)[n-]1 ZINC001573248564 1343624726 /nfs/dbraw/zinc/62/47/26/1343624726.db2.gz GYFBANHLEUJXLV-GOSISDBHSA-N -1 3 348.447 2.063 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001647016094 1353107102 /nfs/dbraw/zinc/10/71/02/1353107102.db2.gz NKIJRQGIZMSNNL-RHSMWYFYSA-N -1 3 343.427 2.236 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(F)c1 ZINC001647267004 1353212134 /nfs/dbraw/zinc/21/21/34/1353212134.db2.gz OYMSDDZVJHKKSC-MXWKQRLJSA-N -1 3 330.331 2.409 10 30 EEEEHM C=CCNc1ncc(C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC001648224556 1353421023 /nfs/dbraw/zinc/42/10/23/1353421023.db2.gz WQDPKRAGNNFYKQ-UHFFFAOYSA-N -1 3 327.373 2.173 10 30 EEEEHM C=CCNc1ncc(C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC001648224556 1353421026 /nfs/dbraw/zinc/42/10/26/1353421026.db2.gz WQDPKRAGNNFYKQ-UHFFFAOYSA-N -1 3 327.373 2.173 10 30 EEEEHM N#Cc1csc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n1 ZINC001652903775 1354107511 /nfs/dbraw/zinc/10/75/11/1354107511.db2.gz DJSRHUZBHOWPJT-UHFFFAOYSA-N -1 3 346.318 2.064 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC=CCCC2)n1 ZINC001656640075 1354255168 /nfs/dbraw/zinc/25/51/68/1354255168.db2.gz ZCXYCRIFXVGKNQ-HNNXBMFYSA-N -1 3 342.443 2.048 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@@H](CC)C(C)(C)C)n1 ZINC001656647057 1354256448 /nfs/dbraw/zinc/25/64/48/1354256448.db2.gz RLTUTYGCKMUZHE-CQSZACIVSA-N -1 3 346.475 2.374 10 30 EEEEHM Cn1ncc2c1nc(SCCOc1ccc(C#N)cc1)[n-]c2=O ZINC001656733115 1354270054 /nfs/dbraw/zinc/27/00/54/1354270054.db2.gz TUIFUQIJYXJBOZ-UHFFFAOYSA-N -1 3 327.369 2.112 10 30 EEEEHM C=CCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001686276004 1358375391 /nfs/dbraw/zinc/37/53/91/1358375391.db2.gz JFMFJLZPHOFAFI-LIRRHRJNSA-N -1 3 328.412 2.469 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1cccc(F)c1)C(=O)OCC ZINC000919726240 770232873 /nfs/dbraw/zinc/23/28/73/770232873.db2.gz JURHVCOFKCUSJU-OAHLLOKOSA-N -1 3 343.420 2.186 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccccc1 ZINC001212292820 775203456 /nfs/dbraw/zinc/20/34/56/775203456.db2.gz YOTWBOJGWPIPDT-ZDUSSCGKSA-N -1 3 333.365 2.027 10 30 EEEEHM N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816692634 784199265 /nfs/dbraw/zinc/19/92/65/784199265.db2.gz SBPAYDVHEGMWSW-AWEZNQCLSA-N -1 3 337.335 2.070 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000816692276 784200702 /nfs/dbraw/zinc/20/07/02/784200702.db2.gz KGDFPWYYKQYGDB-JBLDHEPKSA-N -1 3 329.183 2.203 10 30 EEEEHM C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCN([O-])C4=O)cc3c2C1 ZINC000816692944 784201285 /nfs/dbraw/zinc/20/12/85/784201285.db2.gz YUEMLBCASSWONL-HWPZZCPQSA-N -1 3 327.384 2.013 10 30 EEEEHM Cc1cccc(C#N)c1S(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000921852667 797499753 /nfs/dbraw/zinc/49/97/53/797499753.db2.gz AGPWBMQFQQSAJY-AAEUAGOBSA-N -1 3 348.346 2.112 10 30 EEEEHM C#CCCOc1ccc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1 ZINC001454462231 1107265817 /nfs/dbraw/zinc/26/58/17/1107265817.db2.gz NFDQZHSYGDMIBN-UHFFFAOYSA-N -1 3 327.340 2.241 10 30 EEEEHM C#CCCOc1ccc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1 ZINC001454462231 1107265830 /nfs/dbraw/zinc/26/58/30/1107265830.db2.gz NFDQZHSYGDMIBN-UHFFFAOYSA-N -1 3 327.340 2.241 10 30 EEEEHM N#Cc1cccc([N+](=O)[O-])c1NCCNC(=O)c1ccc([O-])cc1 ZINC001458110727 1109833540 /nfs/dbraw/zinc/83/35/40/1109833540.db2.gz ZEFXAKBPFFZTFI-UHFFFAOYSA-N -1 3 326.312 2.014 10 30 EEEEHM C#Cc1cncc(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)c1 ZINC001463313344 1110371489 /nfs/dbraw/zinc/37/14/89/1110371489.db2.gz FWQSPWUHGUJXCN-UHFFFAOYSA-N -1 3 334.335 2.368 10 30 EEEEHM C[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])CN1C(=O)C#CC(C)(C)C ZINC001511253010 1118020347 /nfs/dbraw/zinc/02/03/47/1118020347.db2.gz APPNOXJYIYOZPE-UONOGXRCSA-N -1 3 328.412 2.161 10 30 EEEEHM O=C(CC#Cc1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001524116373 1119985550 /nfs/dbraw/zinc/98/55/50/1119985550.db2.gz PTCNFOHDPALSIS-QGZVFWFLSA-N -1 3 348.402 2.165 10 30 EEEEHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000063198975 462632585 /nfs/dbraw/zinc/63/25/85/462632585.db2.gz FXDVIUBXPCIHPT-UHFFFAOYSA-N -1 3 325.777 2.295 10 30 EEEEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cs1 ZINC000048671048 462928759 /nfs/dbraw/zinc/92/87/59/462928759.db2.gz BNSGUCCOABXCGU-UHFFFAOYSA-N -1 3 327.818 2.455 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000293559991 464411485 /nfs/dbraw/zinc/41/14/85/464411485.db2.gz URELSYBLWPAUCY-CQSZACIVSA-N -1 3 333.338 2.381 10 30 EEEEHM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000594487626 468605993 /nfs/dbraw/zinc/60/59/93/468605993.db2.gz NUIUJZFNDORUMH-UKRRQHHQSA-N -1 3 348.428 2.027 10 30 EEEEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000600668957 468615747 /nfs/dbraw/zinc/61/57/47/468615747.db2.gz WPUSQAWGLNLGDS-HZPDHXFCSA-N -1 3 342.436 2.241 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000594867034 468712086 /nfs/dbraw/zinc/71/20/86/468712086.db2.gz VRCWMWLEHIDVAY-UHFFFAOYSA-N -1 3 340.832 2.041 10 30 EEEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000595353008 468822713 /nfs/dbraw/zinc/82/27/13/468822713.db2.gz HGACJBLYUHTNGY-HOTGVXAUSA-N -1 3 334.397 2.188 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000595380150 468832638 /nfs/dbraw/zinc/83/26/38/468832638.db2.gz KWEKPJJZWHYHBF-NILFDRSVSA-N -1 3 334.397 2.375 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)OC ZINC000601501466 468896157 /nfs/dbraw/zinc/89/61/57/468896157.db2.gz AHSFCPZDGNRKAM-ZDUSSCGKSA-N -1 3 349.811 2.406 10 30 EEEEHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593538832 469024646 /nfs/dbraw/zinc/02/46/46/469024646.db2.gz QKRDAVWICCWMKS-UHFFFAOYSA-N -1 3 342.442 2.020 10 30 EEEEHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1(C)C ZINC000593577140 469044237 /nfs/dbraw/zinc/04/42/37/469044237.db2.gz AWUWYWUCYMBAHE-QWHCGFSZSA-N -1 3 328.459 2.490 10 30 EEEEHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccsc1C#N)C(C)C ZINC000593579156 469045135 /nfs/dbraw/zinc/04/51/35/469045135.db2.gz UDSASUVSKOXSCV-AWEZNQCLSA-N -1 3 344.458 2.266 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619489613 469623129 /nfs/dbraw/zinc/62/31/29/469623129.db2.gz UROCGCAIFCCFMC-AWEZNQCLSA-N -1 3 336.438 2.135 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(=O)CC(C)(C)C1 ZINC000628688826 470139848 /nfs/dbraw/zinc/13/98/48/470139848.db2.gz SKSRKPVDHIKGTL-UHFFFAOYSA-N -1 3 343.427 2.426 10 30 EEEEHM N#CCCCC[C@H](N)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000655422558 471317886 /nfs/dbraw/zinc/31/78/86/471317886.db2.gz RJVRFKMCICTHKZ-KRWDZBQOSA-N -1 3 343.427 2.225 10 30 EEEEHM N#Cc1ccc(CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135559138 490673243 /nfs/dbraw/zinc/67/32/43/490673243.db2.gz SISOYRNIPWDRHV-UHFFFAOYSA-N -1 3 332.367 2.233 10 30 EEEEHM N#Cc1ccc(CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000135559138 490673250 /nfs/dbraw/zinc/67/32/50/490673250.db2.gz SISOYRNIPWDRHV-UHFFFAOYSA-N -1 3 332.367 2.233 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccccc3)C2=O)c1[O-] ZINC000733903642 577263351 /nfs/dbraw/zinc/26/33/51/577263351.db2.gz NPBJWTPKIMETIZ-LASGFXPTSA-N -1 3 339.395 2.202 10 30 EEEEHM C=CCCC[C@H](C)OC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000765413588 577500553 /nfs/dbraw/zinc/50/05/53/577500553.db2.gz JZLZJNXNSMOSER-LBPRGKRZSA-N -1 3 329.393 2.392 10 30 EEEEHM CC#CCCOC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000760282942 577659877 /nfs/dbraw/zinc/65/98/77/577659877.db2.gz GETVLOHLFZPWTH-UHFFFAOYSA-N -1 3 339.413 2.172 10 30 EEEEHM O=C(c1cn(C2CCOCC2)nn1)N([O-])CCCCc1ccccc1 ZINC000904195357 694325509 /nfs/dbraw/zinc/32/55/09/694325509.db2.gz CNUUGFPSZPGRBY-UHFFFAOYSA-N -1 3 344.415 2.484 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001486549154 1194060961 /nfs/dbraw/zinc/06/09/61/1194060961.db2.gz JNSLRLFXPDHWMD-HNNXBMFYSA-N -1 3 328.412 2.115 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001486708935 1194181161 /nfs/dbraw/zinc/18/11/61/1194181161.db2.gz HEJPRGPRIYKPNE-RYUDHWBXSA-N -1 3 346.431 2.039 10 30 EEEEHM C=C(C)CCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001487287175 1197347526 /nfs/dbraw/zinc/34/75/26/1197347526.db2.gz YMWOQDZGKDHAJY-PHZGNYQRSA-N -1 3 328.412 2.183 10 30 EEEEHM N#CCCCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866736648 1201592853 /nfs/dbraw/zinc/59/28/53/1201592853.db2.gz ZFKSTUYHBSDLBV-UHFFFAOYSA-N -1 3 330.822 2.317 10 30 EEEEHM C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001490805637 1201687200 /nfs/dbraw/zinc/68/72/00/1201687200.db2.gz LAIFEQIKOOKMLF-BETUJISGSA-N -1 3 342.399 2.183 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ncc1C#N ZINC001412787208 1208454888 /nfs/dbraw/zinc/45/48/88/1208454888.db2.gz ZKYOWFPKAPBPHR-MQMHXKEQSA-N -1 3 337.383 2.214 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCN(CC(F)(F)F)C1 ZINC000900436332 1234353660 /nfs/dbraw/zinc/35/36/60/1234353660.db2.gz KJLCQZMVLUYBPW-NSHDSACASA-N -1 3 347.287 2.403 10 30 EEEEHM O=C([N-]C1(C(F)F)CC1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000800661903 1234414790 /nfs/dbraw/zinc/41/47/90/1234414790.db2.gz NINCQSYLFIEIFO-UHFFFAOYSA-N -1 3 344.186 2.235 10 30 EEEEHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1ccco1 ZINC000867072299 1281969929 /nfs/dbraw/zinc/96/99/29/1281969929.db2.gz ZPXXIKJBONSWJF-CQSZACIVSA-N -1 3 338.360 2.346 10 30 EEEEHM C=C(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001489635136 1290632189 /nfs/dbraw/zinc/63/21/89/1290632189.db2.gz DTQAQKIIWHHPJD-GDBMZVCRSA-N -1 3 328.412 2.421 10 30 EEEEHM C=CCC1(C(=O)N[C@@H]2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001278619685 1317391120 /nfs/dbraw/zinc/39/11/20/1317391120.db2.gz YZVWOBRCHRNRKS-ZIAGYGMSSA-N -1 3 347.463 2.021 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3csc(C#N)c3)c2c1=O ZINC001161521580 1320525776 /nfs/dbraw/zinc/52/57/76/1320525776.db2.gz QQMTWHJPGFRFPS-UHFFFAOYSA-N -1 3 327.369 2.238 10 30 EEEEHM C[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)CN1C(=O)c1ccccc1[O-] ZINC001281160823 1324808739 /nfs/dbraw/zinc/80/87/39/1324808739.db2.gz VTNKTTOPJNKWMD-UONOGXRCSA-N -1 3 328.412 2.161 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@H](CC)NC(=O)c1cccc2n[n-]nc21 ZINC001285098213 1326865115 /nfs/dbraw/zinc/86/51/15/1326865115.db2.gz YAAFLSPVMDHSQY-KPZWWZAWSA-N -1 3 343.431 2.185 10 30 EEEEHM CC(C)N(CCN(C)C(=O)c1ccccc1[O-])C(=O)C#CC1CC1 ZINC001288165037 1327649753 /nfs/dbraw/zinc/64/97/53/1327649753.db2.gz UMFFHTWOIJTURU-UHFFFAOYSA-N -1 3 328.412 2.115 10 30 EEEEHM N#Cc1ccc(F)cc1CNC/C=C\CNC(=O)c1ccccc1[O-] ZINC001320971426 1332990010 /nfs/dbraw/zinc/99/00/10/1332990010.db2.gz OHSNWPCYVHGMFH-ARJAWSKDSA-N -1 3 339.370 2.479 10 30 EEEEHM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001334417482 1336251186 /nfs/dbraw/zinc/25/11/86/1336251186.db2.gz CEFFYEGMIRUGDI-KUHUBIRLSA-N -1 3 348.443 2.198 10 30 EEEEHM C=CCCCC(=O)NCC1(NC(=O)c2cnc[n-]c2=O)CCCCC1 ZINC001334774228 1336296116 /nfs/dbraw/zinc/29/61/16/1336296116.db2.gz NWLYEBQQUCNQNP-UHFFFAOYSA-N -1 3 346.431 2.087 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(CC)CCSC ZINC001340593010 1337211956 /nfs/dbraw/zinc/21/19/56/1337211956.db2.gz GEYFJWGGEMYVMF-UHFFFAOYSA-N -1 3 327.845 2.092 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(CC)CCSC ZINC001340593010 1337211957 /nfs/dbraw/zinc/21/19/57/1337211957.db2.gz GEYFJWGGEMYVMF-UHFFFAOYSA-N -1 3 327.845 2.092 10 30 EEEEHM COC(=O)c1cc(NC(=O)C#Cc2ccccc2)c([O-])c(OC)c1 ZINC001636734126 1352668554 /nfs/dbraw/zinc/66/85/54/1352668554.db2.gz FYERJNZBYUKGBH-UHFFFAOYSA-N -1 3 325.320 2.178 10 30 EEEEHM C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001657079640 1354319198 /nfs/dbraw/zinc/31/91/98/1354319198.db2.gz MDHZGYPLGKMAMC-LBPRGKRZSA-N -1 3 330.388 2.041 10 30 EEEEHM C#CCN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC001665457629 1355314188 /nfs/dbraw/zinc/31/41/88/1355314188.db2.gz YKRJWNPHBWNUOU-LLVKDONJSA-N -1 3 347.267 2.369 10 30 EEEEHM CC(C)(C)C#CC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001682213234 1358153284 /nfs/dbraw/zinc/15/32/84/1358153284.db2.gz MBAMBUHQZDGJSN-GOEBONIOSA-N -1 3 340.423 2.115 10 30 EEEEHM CC[C@H](C(=O)N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816696044 784201758 /nfs/dbraw/zinc/20/17/58/784201758.db2.gz QDCVQUOMEOEAIA-RYUDHWBXSA-N -1 3 330.306 2.305 10 30 EEEEHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H]3CCN([O-])C3=O)c2c1 ZINC000820185168 785827237 /nfs/dbraw/zinc/82/72/37/785827237.db2.gz JHRCIYDMLJTNQU-HNNXBMFYSA-N -1 3 339.395 2.449 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000820186293 785829421 /nfs/dbraw/zinc/82/94/21/785829421.db2.gz XIULSVXEYZBXIU-DYVFJYSZSA-N -1 3 341.411 2.434 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000908991051 785921136 /nfs/dbraw/zinc/92/11/36/785921136.db2.gz WNTJBPZHUBRESF-GDBMZVCRSA-N -1 3 333.432 2.226 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908993732 785924190 /nfs/dbraw/zinc/92/41/90/785924190.db2.gz LFFCSEAAKOGIKY-ZJUUUORDSA-N -1 3 347.159 2.396 10 30 EEEEHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000846551419 790230333 /nfs/dbraw/zinc/23/03/33/790230333.db2.gz USCVWRVUQYKWKR-DZGCQCFKSA-N -1 3 334.391 2.229 10 30 EEEEHM C=CCc1cc(C(=O)NCc2ncccc2[O-])cc(OC)c1OC ZINC000792610311 809877217 /nfs/dbraw/zinc/87/72/17/809877217.db2.gz PSXOHFCYMSZERB-UHFFFAOYSA-N -1 3 328.368 2.463 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H](CC)CC2CCCC2)n1 ZINC001565991427 1125486752 /nfs/dbraw/zinc/48/67/52/1125486752.db2.gz HEBVPIGCSFQKIY-HNNXBMFYSA-N -1 3 344.459 2.128 10 30 EEEEHM O=C(Cn1c(=O)cnc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001458001167 1109821099 /nfs/dbraw/zinc/82/10/99/1109821099.db2.gz DFCJMUPTJPMXDZ-UHFFFAOYSA-N -1 3 343.770 2.468 10 30 EEEEHM C#CCCCCC(=O)N1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509381107 1115815737 /nfs/dbraw/zinc/81/57/37/1115815737.db2.gz MBMIKWKFNMUWBH-CQSZACIVSA-N -1 3 328.412 2.163 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001533103168 1123081252 /nfs/dbraw/zinc/08/12/52/1123081252.db2.gz LQUGNUKKFFCINK-GOEBONIOSA-N -1 3 342.439 2.456 10 30 EEEEHM N#Cc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000328587667 258046631 /nfs/dbraw/zinc/04/66/31/258046631.db2.gz DXCMUNIFFQPLMQ-UHFFFAOYSA-N -1 3 330.351 2.409 10 30 EEEEHM N#Cc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000328587667 258046632 /nfs/dbraw/zinc/04/66/32/258046632.db2.gz DXCMUNIFFQPLMQ-UHFFFAOYSA-N -1 3 330.351 2.409 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1O ZINC000121325284 292263129 /nfs/dbraw/zinc/26/31/29/292263129.db2.gz ASSFSLFRDCUSMB-GWCFXTLKSA-N -1 3 328.821 2.041 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1O ZINC000121325661 292263355 /nfs/dbraw/zinc/26/33/55/292263355.db2.gz ASSFSLFRDCUSMB-ZWNOBZJWSA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000104745437 159291117 /nfs/dbraw/zinc/29/11/17/159291117.db2.gz DXMAWCIVUUIHND-UHFFFAOYSA-N -1 3 327.818 2.455 10 30 EEEEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCCC1 ZINC000435427638 269864554 /nfs/dbraw/zinc/86/45/54/269864554.db2.gz MWPGOLWFDNNAFF-CQSZACIVSA-N -1 3 328.459 2.229 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000528460545 268326149 /nfs/dbraw/zinc/32/61/49/268326149.db2.gz DTXYKQSYHJSCIW-UHOFOFEASA-N -1 3 345.811 2.223 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000528460533 268326295 /nfs/dbraw/zinc/32/62/95/268326295.db2.gz DTXYKQSYHJSCIW-APHBMKBZSA-N -1 3 345.811 2.223 10 30 EEEEHM CCOc1ccc(-n2ncc(C([O-])=C(C#N)c3ccccn3)c2C)nn1 ZINC000049456822 462969517 /nfs/dbraw/zinc/96/95/17/462969517.db2.gz AFJGPXDHGNNRDT-CYBMUJFWSA-N -1 3 348.366 2.255 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000269401515 463977385 /nfs/dbraw/zinc/97/73/85/463977385.db2.gz ZAMLVDWHBNSFIZ-LEBHLANCSA-N -1 3 336.457 2.452 10 30 EEEEHM C#CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1 ZINC000270187338 464213852 /nfs/dbraw/zinc/21/38/52/464213852.db2.gz KKRBQCAJRPOASI-CYBMUJFWSA-N -1 3 337.832 2.425 10 30 EEEEHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccco1 ZINC000272411197 464598315 /nfs/dbraw/zinc/59/83/15/464598315.db2.gz LLSGRDCYKHXTGD-AWEZNQCLSA-N -1 3 338.360 2.346 10 30 EEEEHM C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2[O-])CCCC3)C1=O ZINC000281875835 464618111 /nfs/dbraw/zinc/61/81/11/464618111.db2.gz ZVXLVTBMNRHJBH-MRXNPFEDSA-N -1 3 328.412 2.130 10 30 EEEEHM CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436982308 467555256 /nfs/dbraw/zinc/55/52/56/467555256.db2.gz GILZMQKBNQICCJ-AWEZNQCLSA-N -1 3 329.400 2.005 10 30 EEEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000440058595 467569127 /nfs/dbraw/zinc/56/91/27/467569127.db2.gz CNENJEDGHGJPQO-CQSZACIVSA-N -1 3 328.409 2.178 10 30 EEEEHM COc1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)c1 ZINC000443220584 467579204 /nfs/dbraw/zinc/57/92/04/467579204.db2.gz AKWAUZHDGYWUNT-UHFFFAOYSA-N -1 3 326.393 2.443 10 30 EEEEHM CCc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1[O-] ZINC000487157198 468025279 /nfs/dbraw/zinc/02/52/79/468025279.db2.gz OGTVNORTQZFDTD-UHFFFAOYSA-N -1 3 336.395 2.184 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000594485896 468604311 /nfs/dbraw/zinc/60/43/11/468604311.db2.gz CMSWPYJFZXUFBB-AAEUAGOBSA-N -1 3 348.346 2.337 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)s1 ZINC000594488603 468606275 /nfs/dbraw/zinc/60/62/75/468606275.db2.gz OKJAGCOQYPGCGM-LLVKDONJSA-N -1 3 326.443 2.390 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@H](O)C(C)C ZINC000594759879 468676332 /nfs/dbraw/zinc/67/63/32/468676332.db2.gz OUJVFNJOWVLKAK-ZDUSSCGKSA-N -1 3 338.454 2.377 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594850072 468704160 /nfs/dbraw/zinc/70/41/60/468704160.db2.gz KKQWJYJPFVOOLN-UHFFFAOYSA-N -1 3 348.346 2.448 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594852585 468705700 /nfs/dbraw/zinc/70/57/00/468705700.db2.gz LSXCUAMJISIFMF-WOPDTQHZSA-N -1 3 335.385 2.181 10 30 EEEEHM Cc1csc(C2([N-]S(=O)(=O)CC3(C#N)CCC3)CCC2)n1 ZINC000571960548 468862247 /nfs/dbraw/zinc/86/22/47/468862247.db2.gz LFTDCVWCYKFMCX-UHFFFAOYSA-N -1 3 325.459 2.444 10 30 EEEEHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000595525785 468889157 /nfs/dbraw/zinc/88/91/57/468889157.db2.gz HVGWLLXTFZOWCP-UHFFFAOYSA-N -1 3 327.344 2.295 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)OC ZINC000601502338 468897588 /nfs/dbraw/zinc/89/75/88/468897588.db2.gz NVUHBOMWJOJPBC-NSHDSACASA-N -1 3 335.784 2.265 10 30 EEEEHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593530280 469019145 /nfs/dbraw/zinc/01/91/45/469019145.db2.gz JGALLCCTIUGGIQ-NWDGAFQWSA-N -1 3 328.459 2.493 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000599361281 469227725 /nfs/dbraw/zinc/22/77/25/469227725.db2.gz UEAHBXRMBUNIMJ-UHFFFAOYSA-N -1 3 328.390 2.484 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)cn1 ZINC000599503054 469278788 /nfs/dbraw/zinc/27/87/88/469278788.db2.gz QEXOWCIOYMAFNT-UHFFFAOYSA-N -1 3 333.335 2.354 10 30 EEEEHM C=CC(C)(C)CCNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000624466297 469945908 /nfs/dbraw/zinc/94/59/08/469945908.db2.gz RPVIYHNCTGMEMJ-UHFFFAOYSA-N -1 3 345.443 2.462 10 30 EEEEHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000773989763 577377203 /nfs/dbraw/zinc/37/72/03/577377203.db2.gz QWBWSNDYOPUKDY-HIFRSBDPSA-N -1 3 349.394 2.284 10 30 EEEEHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C#N)ccc2C(C)=O)s1 ZINC000754012164 577798620 /nfs/dbraw/zinc/79/86/20/577798620.db2.gz HHCAFJFXZKXXMX-UHFFFAOYSA-N -1 3 349.437 2.343 10 30 EEEEHM COC(=O)[C@@H](OC(=O)c1ccc(F)cc1[O-])c1ccc(C#N)cc1 ZINC000750144222 577987780 /nfs/dbraw/zinc/98/77/80/577987780.db2.gz KINKTPDCCAFKJW-HNNXBMFYSA-N -1 3 329.283 2.474 10 30 EEEEHM C=CCC1(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCCC1 ZINC000898815063 693472667 /nfs/dbraw/zinc/47/26/67/693472667.db2.gz YDOSIHQTGKLKIU-CQSZACIVSA-N -1 3 345.447 2.339 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001687332727 1177369987 /nfs/dbraw/zinc/36/99/87/1177369987.db2.gz KOSYROPOHMIEDZ-GJZGRUSLSA-N -1 3 346.427 2.094 10 30 EEEEHM O=C(CNC(=O)c1cccc(O)c1)N([O-])Cc1ccccc1Cl ZINC001649046305 1193494039 /nfs/dbraw/zinc/49/40/39/1193494039.db2.gz RGHCFTUGQPMUIQ-UHFFFAOYSA-N -1 3 334.759 2.193 10 30 EEEEHM C=CCCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001746922167 1190870115 /nfs/dbraw/zinc/87/01/15/1190870115.db2.gz DKDZUYIJVLVFPQ-GOEBONIOSA-N -1 3 328.412 2.421 10 30 EEEEHM C=CCCC[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC001133172093 1200526086 /nfs/dbraw/zinc/52/60/86/1200526086.db2.gz WEKWBHFZEXIYNI-GFCCVEGCSA-N -1 3 328.372 2.297 10 30 EEEEHM CCCCCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867552401 1201632532 /nfs/dbraw/zinc/63/25/32/1201632532.db2.gz JSVVXRRBWXWWPN-UHFFFAOYSA-N -1 3 338.271 2.431 10 30 EEEEHM Cc1cc(=O)[n-]c(N2CCN(Cc3c(C)cc(C#N)cc3C)CC2)n1 ZINC000931747408 1207454771 /nfs/dbraw/zinc/45/47/71/1207454771.db2.gz OJUFYOAMNILGLK-UHFFFAOYSA-N -1 3 337.427 2.301 10 30 EEEEHM CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C#N)cc1 ZINC000860955074 1295189860 /nfs/dbraw/zinc/18/98/60/1295189860.db2.gz JITRAEWUFIGVEI-UHFFFAOYSA-N -1 3 337.305 2.289 10 30 EEEEHM C#CCOc1ccc(F)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001294180484 1328918887 /nfs/dbraw/zinc/91/88/87/1328918887.db2.gz KCHHPKFITJBMGM-UHFFFAOYSA-N -1 3 327.315 2.463 10 30 EEEEHM C[C@@H](CC(=O)NCc1nc(CNCC#N)cc(=O)[n-]1)C1CCCCC1 ZINC001264584383 1322738877 /nfs/dbraw/zinc/73/88/77/1322738877.db2.gz TZLOMGNSCOUQRF-ZDUSSCGKSA-N -1 3 345.447 2.018 10 30 EEEEHM C[C@H](CC(=O)NCc1nc(CNCC#N)cc(=O)[n-]1)C1CCCCC1 ZINC001264584382 1322739048 /nfs/dbraw/zinc/73/90/48/1322739048.db2.gz TZLOMGNSCOUQRF-CYBMUJFWSA-N -1 3 345.447 2.018 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1ccccc1[O-])OCC ZINC001280981448 1324694026 /nfs/dbraw/zinc/69/40/26/1324694026.db2.gz SOHCOUXNKBVLQV-WMLDXEAASA-N -1 3 348.443 2.340 10 30 EEEEHM CC(C)C[C@@H](CNC(=O)C#CC1CC1)NC(=O)c1ccccc1[O-] ZINC001285250744 1326928494 /nfs/dbraw/zinc/92/84/94/1326928494.db2.gz WAMRYQGGAGHGGU-HNNXBMFYSA-N -1 3 328.412 2.066 10 30 EEEEHM C#CCCCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001290818606 1328281968 /nfs/dbraw/zinc/28/19/68/1328281968.db2.gz ZLKIPOYFENFXMW-MGPUTAFESA-N -1 3 340.423 2.116 10 30 EEEEHM C=CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001333934495 1336176867 /nfs/dbraw/zinc/17/68/67/1336176867.db2.gz LTDFWXATKMYXHT-VXGBXAGGSA-N -1 3 346.431 2.039 10 30 EEEEHM C=CCOCCCC(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001344149918 1337369856 /nfs/dbraw/zinc/36/98/56/1337369856.db2.gz QJCCKUXJFWLHDB-OAHLLOKOSA-N -1 3 346.427 2.048 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(=O)OC ZINC001622449862 1352383306 /nfs/dbraw/zinc/38/33/06/1352383306.db2.gz DBXKAWUFEJSXNB-NPCAHTBFSA-N -1 3 329.462 2.384 10 30 EEEEHM COc1cccc(-n2cc(C(=O)N([O-])Cc3ccc(F)cc3)nn2)c1 ZINC001654829047 1354158747 /nfs/dbraw/zinc/15/87/47/1354158747.db2.gz QJXHTEUUJZZAOX-UHFFFAOYSA-N -1 3 342.330 2.447 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)[C@H]1CCCO1 ZINC001661508916 1354647025 /nfs/dbraw/zinc/64/70/25/1354647025.db2.gz JRDZIHBWFYFKOY-UONOGXRCSA-N -1 3 348.449 2.269 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N(CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001688400585 1358945667 /nfs/dbraw/zinc/94/56/67/1358945667.db2.gz HLGIUPYOXHWRTR-ZDUSSCGKSA-N -1 3 343.431 2.139 10 30 EEEEHM C#CCN1CCC[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000923559181 789768980 /nfs/dbraw/zinc/76/89/80/789768980.db2.gz IETCQPKKEYJWMH-CYBMUJFWSA-N -1 3 326.318 2.238 10 30 EEEEHM COCC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccnc1 ZINC000952994345 796140342 /nfs/dbraw/zinc/14/03/42/796140342.db2.gz RRJUTIYZBZSNSV-GFCCVEGCSA-N -1 3 337.426 2.071 10 30 EEEEHM C=CCn1c(SCC2(S(C)(=O)=O)CCCCC2)n[n-]c1=O ZINC000917216685 798140781 /nfs/dbraw/zinc/14/07/81/798140781.db2.gz BYRNMMCNEHLABX-UHFFFAOYSA-N -1 3 331.463 2.009 10 30 EEEEHM C=CCCCC(=O)N[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001479908131 1099300365 /nfs/dbraw/zinc/30/03/65/1099300365.db2.gz IVQMRCDEMQPMHL-OAHLLOKOSA-N -1 3 344.459 2.497 10 30 EEEEHM C=CCCCC(=O)N1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001512278366 1118488448 /nfs/dbraw/zinc/48/84/48/1118488448.db2.gz QWUWHAXHSMFNJH-UHFFFAOYSA-N -1 3 328.412 2.423 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@H](CC)C1 ZINC001520596350 1119179230 /nfs/dbraw/zinc/17/92/30/1119179230.db2.gz MQLFVAZJRKBJDP-SECBINFHSA-N -1 3 339.856 2.234 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@H](CC)C1 ZINC001520596350 1119179232 /nfs/dbraw/zinc/17/92/32/1119179232.db2.gz MQLFVAZJRKBJDP-SECBINFHSA-N -1 3 339.856 2.234 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NC[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001532247293 1122697585 /nfs/dbraw/zinc/69/75/85/1122697585.db2.gz NTWACQRDSNLHJW-OLZOCXBDSA-N -1 3 343.431 2.042 10 30 EEEEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl ZINC000052299850 214125605 /nfs/dbraw/zinc/12/56/05/214125605.db2.gz GWSZSNHSBJWXRE-QPUJVOFHSA-N -1 3 334.224 2.024 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127361562 292323922 /nfs/dbraw/zinc/32/39/22/292323922.db2.gz MSJMJYFOESHYKG-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM Cc1cc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)on1 ZINC000352641431 162224544 /nfs/dbraw/zinc/22/45/44/162224544.db2.gz QBAXPFAONIHSMC-UHFFFAOYSA-N -1 3 325.777 2.029 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000529981377 270022301 /nfs/dbraw/zinc/02/23/01/270022301.db2.gz FRWJYPXNPPQFHI-KJUWYFRYSA-N -1 3 331.416 2.136 10 30 EEEEHM Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C#N)c(C)n1 ZINC000301764246 267337037 /nfs/dbraw/zinc/33/70/37/267337037.db2.gz GTXJMZHQRXWSQV-UHFFFAOYSA-N -1 3 336.395 2.238 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000443502753 303178377 /nfs/dbraw/zinc/17/83/77/303178377.db2.gz SQLLZBZBEKAHCH-SECBINFHSA-N -1 3 345.327 2.323 10 30 EEEEHM COCC1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000567777439 319418269 /nfs/dbraw/zinc/41/82/69/319418269.db2.gz FYMYRSIRGUJVMG-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccnc3)C2)s1 ZINC000590762949 468332370 /nfs/dbraw/zinc/33/23/70/468332370.db2.gz UJIRXKOSXOBWPR-TZMCWYRMSA-N -1 3 349.437 2.213 10 30 EEEEHM C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973022 463676050 /nfs/dbraw/zinc/67/60/50/463676050.db2.gz CYOAHOVCVVBYSW-SNVBAGLBSA-N -1 3 325.328 2.471 10 30 EEEEHM C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973022 463676054 /nfs/dbraw/zinc/67/60/54/463676054.db2.gz CYOAHOVCVVBYSW-SNVBAGLBSA-N -1 3 325.328 2.471 10 30 EEEEHM C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973022 463676058 /nfs/dbraw/zinc/67/60/58/463676058.db2.gz CYOAHOVCVVBYSW-SNVBAGLBSA-N -1 3 325.328 2.471 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000277884942 463934388 /nfs/dbraw/zinc/93/43/88/463934388.db2.gz ZMZFRTIXDHLZLK-LBPRGKRZSA-N -1 3 334.420 2.290 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000277884942 463934390 /nfs/dbraw/zinc/93/43/90/463934390.db2.gz ZMZFRTIXDHLZLK-LBPRGKRZSA-N -1 3 334.420 2.290 10 30 EEEEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)O1 ZINC000188739803 464356961 /nfs/dbraw/zinc/35/69/61/464356961.db2.gz IGJGOEIXLOMFDD-NSHDSACASA-N -1 3 328.821 2.448 10 30 EEEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000373820741 466931630 /nfs/dbraw/zinc/93/16/30/466931630.db2.gz YTHHNSSLJZONBP-GOEBONIOSA-N -1 3 347.465 2.343 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c(F)c1 ZINC000594472337 468598784 /nfs/dbraw/zinc/59/87/84/468598784.db2.gz AAZQSYQCWOCNNE-ZBFHGGJFSA-N -1 3 338.404 2.323 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccccc1CC#N ZINC000601364990 468842390 /nfs/dbraw/zinc/84/23/90/468842390.db2.gz OXFCFMMGJSTFHP-CYBMUJFWSA-N -1 3 336.438 2.135 10 30 EEEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000561125281 468865204 /nfs/dbraw/zinc/86/52/04/468865204.db2.gz NHWDJKSXZYLYED-PJXYFTJBSA-N -1 3 341.230 2.398 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccccc1 ZINC000601476086 468889899 /nfs/dbraw/zinc/88/98/99/468889899.db2.gz XYUNLZJSUXBNQH-DOMZBBRYSA-N -1 3 334.422 2.428 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OC ZINC000601502632 468898391 /nfs/dbraw/zinc/89/83/91/468898391.db2.gz RLNDMHXJTSHFEB-NSHDSACASA-N -1 3 335.784 2.265 10 30 EEEEHM CCc1cc(=O)[n-]c(CNC2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595763821 468994979 /nfs/dbraw/zinc/99/49/79/468994979.db2.gz DJNSLXXNMZDQBL-UHFFFAOYSA-N -1 3 338.411 2.412 10 30 EEEEHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593577919 469044966 /nfs/dbraw/zinc/04/49/66/469044966.db2.gz CJPRWBUSACOHLA-NWDGAFQWSA-N -1 3 328.459 2.492 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000593592256 469051055 /nfs/dbraw/zinc/05/10/55/469051055.db2.gz SWLUZMWZGRBNQC-ZDUSSCGKSA-N -1 3 326.443 2.247 10 30 EEEEHM CC[C@@H](OCC[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000593626842 469065836 /nfs/dbraw/zinc/06/58/36/469065836.db2.gz HDULTPWSJWLNCY-MRXNPFEDSA-N -1 3 345.424 2.399 10 30 EEEEHM Cn1[n-]c([C@H]2CCCN2c2nc(C(C)(C)C)ccc2C#N)nc1=N ZINC000596252007 469221504 /nfs/dbraw/zinc/22/15/04/469221504.db2.gz CLHNFHHWZJMPRC-GFCCVEGCSA-N -1 3 325.420 2.133 10 30 EEEEHM C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728724764 576521056 /nfs/dbraw/zinc/52/10/56/576521056.db2.gz LDIRIEMNNZEFGK-VIFPVBQESA-N -1 3 337.332 2.023 10 30 EEEEHM N#CCn1cc([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)cn1 ZINC000765069331 577494011 /nfs/dbraw/zinc/49/40/11/577494011.db2.gz XBBGYIXVEAMRDI-UHFFFAOYSA-N -1 3 337.449 2.110 10 30 EEEEHM CC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000765590694 577503644 /nfs/dbraw/zinc/50/36/44/577503644.db2.gz AJOXTRCEQILYDL-UHFFFAOYSA-N -1 3 346.799 2.395 10 30 EEEEHM C=CCN(CC=C)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897592579 691656446 /nfs/dbraw/zinc/65/64/46/691656446.db2.gz XSPHCIQHKYENRF-AWEZNQCLSA-N -1 3 345.447 2.268 10 30 EEEEHM C=CCOc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC000898205073 691893811 /nfs/dbraw/zinc/89/38/11/691893811.db2.gz JFMZYPYESRMETJ-CYBMUJFWSA-N -1 3 343.383 2.318 10 30 EEEEHM N#Cc1ccc(F)c(CNC/C=C/CNC(=O)c2ccccc2[O-])c1 ZINC001268512999 1183151350 /nfs/dbraw/zinc/15/13/50/1183151350.db2.gz IELNRVVHCDBXOE-ONEGZZNKSA-N -1 3 339.370 2.479 10 30 EEEEHM N#CCc1cccc2c1CCN(C(=O)c1cc3c(cc1[O-])OCO3)C2 ZINC000863716606 1197832088 /nfs/dbraw/zinc/83/20/88/1197832088.db2.gz XPQXYFPRAMWTLP-UHFFFAOYSA-N -1 3 336.347 2.385 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000872669351 1198324173 /nfs/dbraw/zinc/32/41/73/1198324173.db2.gz GMHTUWXWIFCAEK-XYPYZODXSA-N -1 3 326.349 2.204 10 30 EEEEHM CC(C)(C)c1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc(Cl)n1 ZINC000868563275 1201836025 /nfs/dbraw/zinc/83/60/25/1201836025.db2.gz PSNNMSQJNWMZCS-SNVBAGLBSA-N -1 3 325.796 2.143 10 30 EEEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000882846953 1201956272 /nfs/dbraw/zinc/95/62/72/1201956272.db2.gz YMMSRWCDOUMQMW-ZDUSSCGKSA-N -1 3 338.454 2.416 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(C)C ZINC000867224736 1284414140 /nfs/dbraw/zinc/41/41/40/1284414140.db2.gz SIHFIYWGRALIBS-QMMMGPOBSA-N -1 3 329.834 2.281 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(F)cc3)C2)c1[O-] ZINC000840714006 1315402098 /nfs/dbraw/zinc/40/20/98/1315402098.db2.gz WOERRNHFHHTHAD-PZEXIZOFSA-N -1 3 329.375 2.425 10 30 EEEEHM Cn1[n-]ccc1=NN=C1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842529605 1315720880 /nfs/dbraw/zinc/72/08/80/1315720880.db2.gz DXFRQTSHMQQFDU-QWHCGFSZSA-N -1 3 333.436 2.277 10 30 EEEEHM C#CCN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CSC1 ZINC001166131237 1321660456 /nfs/dbraw/zinc/66/04/56/1321660456.db2.gz HMBZRADDEYWZGZ-UHFFFAOYSA-N -1 3 332.812 2.372 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001263323491 1322461002 /nfs/dbraw/zinc/46/10/02/1322461002.db2.gz RHMYQWGFYXSTQN-TZMCWYRMSA-N -1 3 345.403 2.220 10 30 EEEEHM CCCC[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC1CC1 ZINC001280593188 1324323206 /nfs/dbraw/zinc/32/32/06/1324323206.db2.gz VJGMWLIBFMKJLL-HNNXBMFYSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NC(=O)c1cccc2n[n-]nc21 ZINC001285098216 1326865305 /nfs/dbraw/zinc/86/53/05/1326865305.db2.gz YAAFLSPVMDHSQY-XIKOKIGWSA-N -1 3 343.431 2.185 10 30 EEEEHM C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001286327361 1327374458 /nfs/dbraw/zinc/37/44/58/1327374458.db2.gz DXXGPXVOOXZKSO-UONOGXRCSA-N -1 3 346.431 2.004 10 30 EEEEHM C=CCN(C)CCN(CC)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC001297373578 1329966187 /nfs/dbraw/zinc/96/61/87/1329966187.db2.gz YLGJZXFZBJWEEZ-UHFFFAOYSA-N -1 3 342.443 2.054 10 30 EEEEHM C=CCCC(=O)N[C@H](C)CN(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC001337288953 1336677311 /nfs/dbraw/zinc/67/73/11/1336677311.db2.gz LMTUFKZRERFHPS-CYBMUJFWSA-N -1 3 341.411 2.071 10 30 EEEEHM C=CCOc1cccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001658622835 1354363215 /nfs/dbraw/zinc/36/32/15/1354363215.db2.gz LTKKNYAYXGSJRC-UHFFFAOYSA-N -1 3 332.385 2.357 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC001662896080 1354874104 /nfs/dbraw/zinc/87/41/04/1354874104.db2.gz VBIUDYRKZKICHJ-KBPBESRZSA-N -1 3 348.449 2.269 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000921383375 773319773 /nfs/dbraw/zinc/31/97/73/773319773.db2.gz VMZMMUZHPDEILZ-HRCADAONSA-N -1 3 337.441 2.360 10 30 EEEEHM C=C(C)C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908819628 785755797 /nfs/dbraw/zinc/75/57/97/785755797.db2.gz GXCYTPIKZOXIIV-KRWDZBQOSA-N -1 3 345.443 2.153 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000820138015 785805394 /nfs/dbraw/zinc/80/53/94/785805394.db2.gz VGZLAJRBBXDWLE-YGOYTEALSA-N -1 3 329.183 2.203 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095217 785993539 /nfs/dbraw/zinc/99/35/39/785993539.db2.gz UKWMRESRTGEZHD-OIISXLGYSA-N -1 3 345.443 2.368 10 30 EEEEHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(C#N)c(F)c2)cc1 ZINC000791286297 809174148 /nfs/dbraw/zinc/17/41/48/809174148.db2.gz HKNZXIJNAFVIAY-UHFFFAOYSA-N -1 3 348.355 2.426 10 30 EEEEHM CCc1ccc(C#CC(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)cc1 ZINC001469293716 1110488728 /nfs/dbraw/zinc/48/87/28/1110488728.db2.gz LCDUGMQHGNYHCF-UHFFFAOYSA-N -1 3 334.379 2.123 10 30 EEEEHM CCc1ccc(C#CC(=O)Nc2n[n-]c3cc(C)n(C)c(=O)c32)cc1 ZINC001469293716 1110488729 /nfs/dbraw/zinc/48/87/29/1110488729.db2.gz LCDUGMQHGNYHCF-UHFFFAOYSA-N -1 3 334.379 2.123 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001500483731 1112873766 /nfs/dbraw/zinc/87/37/66/1112873766.db2.gz HSVFHEFWNMYTDR-SCLBCKFNSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCOCCCC(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001506394339 1114594340 /nfs/dbraw/zinc/59/43/40/1114594340.db2.gz GYQRNKPSKOWPSY-IBGZPJMESA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCCOCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001508294204 1115475623 /nfs/dbraw/zinc/47/56/23/1115475623.db2.gz SNEMVBNWQFVZDT-OAHLLOKOSA-N -1 3 346.427 2.048 10 30 EEEEHM C=CCCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001509771307 1115901497 /nfs/dbraw/zinc/90/14/97/1115901497.db2.gz MDKJXOBFIORNJF-ZIAGYGMSSA-N -1 3 346.431 2.004 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001520596847 1119179305 /nfs/dbraw/zinc/17/93/05/1119179305.db2.gz SRSZXIWQJDFKJL-IUCAKERBSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001520596847 1119179306 /nfs/dbraw/zinc/17/93/06/1119179306.db2.gz SRSZXIWQJDFKJL-IUCAKERBSA-N -1 3 339.856 2.233 10 30 EEEEHM CSc1ccc([O-])c(C(=O)NCCNc2ccc(C#N)cn2)c1 ZINC001540697790 1124091108 /nfs/dbraw/zinc/09/11/08/1124091108.db2.gz ORUDJLZDCUSPNO-UHFFFAOYSA-N -1 3 328.397 2.223 10 30 EEEEHM N#Cc1ccc(OCCNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000359464251 153381457 /nfs/dbraw/zinc/38/14/57/153381457.db2.gz SRRYRKHYYUHBQV-UHFFFAOYSA-N -1 3 333.347 2.209 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000124382592 292289141 /nfs/dbraw/zinc/28/91/41/292289141.db2.gz ZCWKMPZGIFRZDA-UHFFFAOYSA-N -1 3 340.326 2.497 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127800965 292331138 /nfs/dbraw/zinc/33/11/38/292331138.db2.gz LECSPVZCIMVMED-DOMZBBRYSA-N -1 3 340.420 2.307 10 30 EEEEHM N#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000522150980 468357542 /nfs/dbraw/zinc/35/75/42/468357542.db2.gz MFDMAVQRTRJTAI-ZDUSSCGKSA-N -1 3 346.184 2.323 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(F)c1 ZINC000178537529 463916844 /nfs/dbraw/zinc/91/68/44/463916844.db2.gz QLAQTGXEHNOJRY-UHFFFAOYSA-N -1 3 333.319 2.187 10 30 EEEEHM Cn1nnc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc21 ZINC000183450939 464866983 /nfs/dbraw/zinc/86/69/83/464866983.db2.gz HDLUHCBMFOPTPU-LBPRGKRZSA-N -1 3 330.351 2.345 10 30 EEEEHM C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000337498731 465399732 /nfs/dbraw/zinc/39/97/32/465399732.db2.gz ATQXMYQJJLLORZ-UHFFFAOYSA-N -1 3 345.424 2.361 10 30 EEEEHM C[C@@H]1CCCCN1CCNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330805835 465810490 /nfs/dbraw/zinc/81/04/90/465810490.db2.gz KYIJXRQTQPNXNA-LLVKDONJSA-N -1 3 325.482 2.458 10 30 EEEEHM C=CCN(CC=C)[C@@H](CNC(=O)NCc1ncccc1[O-])C(C)C ZINC000349350985 466079451 /nfs/dbraw/zinc/07/94/51/466079451.db2.gz DLCPUOZSWUKWLA-INIZCTEOSA-N -1 3 332.448 2.285 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000425178730 467087578 /nfs/dbraw/zinc/08/75/78/467087578.db2.gz MYQVVVIPVBPCCV-GWCFXTLKSA-N -1 3 326.805 2.081 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420696144 467456296 /nfs/dbraw/zinc/45/62/96/467456296.db2.gz XZPJSAFBCDANEI-VIFPVBQESA-N -1 3 341.763 2.157 10 30 EEEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000591821447 468527550 /nfs/dbraw/zinc/52/75/50/468527550.db2.gz ZGEITGNNGZVIPL-PEGIJTEDSA-N -1 3 341.230 2.398 10 30 EEEEHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)n1 ZINC000601442762 468875710 /nfs/dbraw/zinc/87/57/10/468875710.db2.gz JTDGXCWGDYXMQH-JTQLQIEISA-N -1 3 336.442 2.320 10 30 EEEEHM COCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(C)o1 ZINC000572080043 468881645 /nfs/dbraw/zinc/88/16/45/468881645.db2.gz DVBCLEFZZMNCPK-ZDUSSCGKSA-N -1 3 326.418 2.279 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OC ZINC000601502880 468897722 /nfs/dbraw/zinc/89/77/22/468897722.db2.gz VTIIBNMBWHEFKT-GFCCVEGCSA-N -1 3 333.356 2.059 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000593565113 469038553 /nfs/dbraw/zinc/03/85/53/469038553.db2.gz FDXSKOTYFSWKRM-RYUDHWBXSA-N -1 3 328.459 2.229 10 30 EEEEHM C=CCN1CC[C@H](N(C)C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1=O ZINC000621991327 470144592 /nfs/dbraw/zinc/14/45/92/470144592.db2.gz NQXIPDRYLJXDRP-ZDUSSCGKSA-N -1 3 342.317 2.270 10 30 EEEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1 ZINC000656619324 471784663 /nfs/dbraw/zinc/78/46/63/471784663.db2.gz MXCHUZIOFXMHMN-BBRMVZONSA-N -1 3 341.429 2.045 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)CCC1 ZINC000349580460 534561808 /nfs/dbraw/zinc/56/18/08/534561808.db2.gz CFPYTHRYNZLBJC-UHFFFAOYSA-N -1 3 331.397 2.455 10 30 EEEEHM N#C[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1C1CC1 ZINC000732679307 577188323 /nfs/dbraw/zinc/18/83/23/577188323.db2.gz XHQNWKWCUFZLKG-INIZCTEOSA-N -1 3 325.412 2.083 10 30 EEEEHM N#Cc1ccnc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c1 ZINC000766956140 577527832 /nfs/dbraw/zinc/52/78/32/577527832.db2.gz IBTSFLUNSBUQCQ-UHFFFAOYSA-N -1 3 343.336 2.263 10 30 EEEEHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccc([O-])cn1 ZINC000755519074 577826076 /nfs/dbraw/zinc/82/60/76/577826076.db2.gz GWUQSVBKJJOBHK-UHFFFAOYSA-N -1 3 327.369 2.225 10 30 EEEEHM COC[C@H](C)C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000755887472 577833543 /nfs/dbraw/zinc/83/35/43/577833543.db2.gz KPEVTYISQZPNJY-ZWNOBZJWSA-N -1 3 334.401 2.196 10 30 EEEEHM C=C1CC(C)(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000904186106 694315237 /nfs/dbraw/zinc/31/52/37/694315237.db2.gz QWKOBHBIIIFEEH-UHFFFAOYSA-N -1 3 328.368 2.247 10 30 EEEEHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904187321 694315938 /nfs/dbraw/zinc/31/59/38/694315938.db2.gz IZFHKKDEFSRYBN-CAPXZKIUSA-N -1 3 342.395 2.183 10 30 EEEEHM O=C(CN1CCCCC(=O)C1=O)N([O-])Cc1cccc2ccccc21 ZINC000904174030 694319653 /nfs/dbraw/zinc/31/96/53/694319653.db2.gz ZCCAMZNSRAUQAC-UHFFFAOYSA-N -1 3 340.379 2.139 10 30 EEEEHM O=C(c1cn(C[C@H]2CCOC2)nn1)N([O-])CCCCc1ccccc1 ZINC000904195340 694325496 /nfs/dbraw/zinc/32/54/96/694325496.db2.gz BXODCPSKFQLWIR-MRXNPFEDSA-N -1 3 344.415 2.169 10 30 EEEEHM C#CCCCCC(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233702 692068515 /nfs/dbraw/zinc/06/85/15/692068515.db2.gz PQCVDUGDSPWQJC-AWEZNQCLSA-N -1 3 330.432 2.194 10 30 EEEEHM O=C(c1ccc(Cl)o1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001649040656 1193486085 /nfs/dbraw/zinc/48/60/85/1193486085.db2.gz HVTSTUSHILXQQT-UHFFFAOYSA-N -1 3 348.742 2.451 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000872671852 1198326352 /nfs/dbraw/zinc/32/63/52/1198326352.db2.gz YBAYCZSYKCXRPP-XYPYZODXSA-N -1 3 327.427 2.005 10 30 EEEEHM COc1c(F)nccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001134624884 1199708996 /nfs/dbraw/zinc/70/89/96/1199708996.db2.gz ZRPLABDAVBPFDA-UHFFFAOYSA-N -1 3 344.346 2.390 10 30 EEEEHM COc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000122996071 1200542047 /nfs/dbraw/zinc/54/20/47/1200542047.db2.gz UDPJNRVJOFFOKT-BPJJOFIESA-N -1 3 339.351 2.042 10 30 EEEEHM C=CC1(S(=O)(=O)[N-]C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000870838218 1200902446 /nfs/dbraw/zinc/90/24/46/1200902446.db2.gz QJSMZOCNLCRQTD-UHFFFAOYSA-N -1 3 348.468 2.063 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(=O)OCC ZINC000882645174 1201913251 /nfs/dbraw/zinc/91/32/51/1201913251.db2.gz XNQMRAPLSJJDBJ-CQSZACIVSA-N -1 3 329.393 2.143 10 30 EEEEHM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001275386934 1205333316 /nfs/dbraw/zinc/33/33/16/1205333316.db2.gz SFCSWRXELWXZDV-UONOGXRCSA-N -1 3 341.386 2.074 10 30 EEEEHM C#C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCOCC1 ZINC000862219705 1295754766 /nfs/dbraw/zinc/75/47/66/1295754766.db2.gz OESLUXBZTJPRTO-CQSZACIVSA-N -1 3 338.201 2.313 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001159331394 1319742085 /nfs/dbraw/zinc/74/20/85/1319742085.db2.gz GMLBWUDJEJRNAP-ZDUSSCGKSA-N -1 3 347.758 2.247 10 30 EEEEHM C=CC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001276413328 1321916140 /nfs/dbraw/zinc/91/61/40/1321916140.db2.gz CHGVOPKLQAIRSU-LBPRGKRZSA-N -1 3 344.459 2.208 10 30 EEEEHM C=CCCCN1CC2(C1)CC[C@H](CNC(=O)c1ccccc1[O-])O2 ZINC001280917248 1324634445 /nfs/dbraw/zinc/63/44/45/1324634445.db2.gz BIZIFRDEVHGDDN-OAHLLOKOSA-N -1 3 330.428 2.322 10 30 EEEEHM C=CCC(CC=C)C(=O)N1CCCCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001282314525 1325687543 /nfs/dbraw/zinc/68/75/43/1325687543.db2.gz BFINZMJMWYHLBJ-HNNXBMFYSA-N -1 3 345.447 2.074 10 30 EEEEHM C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001283682320 1326199435 /nfs/dbraw/zinc/19/94/35/1326199435.db2.gz IXDNUAUSFSURSP-UKRRQHHQSA-N -1 3 346.431 2.038 10 30 EEEEHM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001286262696 1327362004 /nfs/dbraw/zinc/36/20/04/1327362004.db2.gz LXDXRCPNGJLVMR-OSYLJGHBSA-N -1 3 340.423 2.020 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001340571558 1337208519 /nfs/dbraw/zinc/20/85/19/1337208519.db2.gz NLORAURCBCUDHS-JQWIXIFHSA-N -1 3 332.383 2.119 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)Cc1ccno1)c1ccc(Cl)cc1F ZINC001663868325 1355044869 /nfs/dbraw/zinc/04/48/69/1355044869.db2.gz NQMDQNPOUGGGHN-CYBMUJFWSA-N -1 3 328.752 2.261 10 30 EEEEHM Cn1ncc2c1nc(SCc1ccc(C#N)cc1[N+](=O)[O-])[n-]c2=O ZINC001559440317 1342503806 /nfs/dbraw/zinc/50/38/06/1342503806.db2.gz HJUXYCQXXYDNIF-UHFFFAOYSA-N -1 3 342.340 2.141 10 30 EEEEHM C#CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572044655 1343370150 /nfs/dbraw/zinc/37/01/50/1343370150.db2.gz WHUNONNVPKYOQZ-SHTZXODSSA-N -1 3 328.412 2.210 10 30 EEEEHM Cc1ccc(Nc2scnc2C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001625082765 1352439752 /nfs/dbraw/zinc/43/97/52/1352439752.db2.gz SEUJCACVVLXPTM-LBPRGKRZSA-N -1 3 346.412 2.305 10 30 EEEEHM C=CCC1(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)CCOCC1 ZINC001645533208 1352782387 /nfs/dbraw/zinc/78/23/87/1352782387.db2.gz LCQUQXNVBVRCJK-SECBINFHSA-N -1 3 332.326 2.374 10 30 EEEEHM C[C@@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)c1ncccc1[O-] ZINC001669800076 1356212380 /nfs/dbraw/zinc/21/23/80/1356212380.db2.gz GQRBKLABGHFPDZ-AWEZNQCLSA-N -1 3 341.386 2.028 10 30 EEEEHM C=C(C)CN1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1 ZINC000908945222 785868257 /nfs/dbraw/zinc/86/82/57/785868257.db2.gz CEAJSTRBMMROHB-UHFFFAOYSA-N -1 3 337.464 2.456 10 30 EEEEHM C=CCN1CCC(NC(=O)N[C@H](CCCC(C)C)C(=O)[O-])CC1 ZINC000908947160 785869910 /nfs/dbraw/zinc/86/99/10/785869910.db2.gz ZTGGKYKENYLTPN-OAHLLOKOSA-N -1 3 325.453 2.216 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnc2cccnc21 ZINC000821656290 786844362 /nfs/dbraw/zinc/84/43/62/786844362.db2.gz DIWLFVMABJZLIU-UHFFFAOYSA-N -1 3 347.378 2.212 10 30 EEEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC001466284920 1110432741 /nfs/dbraw/zinc/43/27/41/1110432741.db2.gz UGQVABZFQAKXHO-UHFFFAOYSA-N -1 3 328.416 2.058 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)nc1 ZINC001472240970 1110549434 /nfs/dbraw/zinc/54/94/34/1110549434.db2.gz JEHWIJPOSPERNY-UHFFFAOYSA-N -1 3 346.346 2.395 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)nc1 ZINC001472240970 1110549435 /nfs/dbraw/zinc/54/94/35/1110549435.db2.gz JEHWIJPOSPERNY-UHFFFAOYSA-N -1 3 346.346 2.395 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccccc1[O-])OCC ZINC001505612382 1114084863 /nfs/dbraw/zinc/08/48/63/1114084863.db2.gz PYWXFKFUJWDGGM-WMLDXEAASA-N -1 3 346.427 2.094 10 30 EEEEHM C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC001507276749 1115170281 /nfs/dbraw/zinc/17/02/81/1115170281.db2.gz DJRLRXGBKZIWAQ-DOTOQJQBSA-N -1 3 335.407 2.032 10 30 EEEEHM C=CCCCC(=O)N1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H]1C ZINC001511195052 1117995744 /nfs/dbraw/zinc/99/57/44/1117995744.db2.gz APMLSHFPUROLRA-GXTWGEPZSA-N -1 3 341.415 2.033 10 30 EEEEHM CCn1nc(C)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)n1 ZINC001534442696 1123327535 /nfs/dbraw/zinc/32/75/35/1123327535.db2.gz NIANEYDZDZKEKI-UHFFFAOYSA-N -1 3 334.723 2.292 10 30 EEEEHM N/C(=N/[O-])c1nccnc1Sc1cccc(Br)c1 ZINC000055307839 214304415 /nfs/dbraw/zinc/30/44/15/214304415.db2.gz QWGVMEBCCCLDSL-UHFFFAOYSA-N -1 3 325.191 2.485 10 30 EEEEHM Cc1csc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000067863471 215234390 /nfs/dbraw/zinc/23/43/90/215234390.db2.gz KDLOIWWWYRXVEV-LBPRGKRZSA-N -1 3 344.440 2.438 10 30 EEEEHM COC(=O)c1ccc(OC)cc1Oc1nc[n-]c(=O)c1C=CC(C)=O ZINC000072177537 216066034 /nfs/dbraw/zinc/06/60/34/216066034.db2.gz SLOXIBORVSHHTG-GQCTYLIASA-N -1 3 344.323 2.372 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000184879085 160019480 /nfs/dbraw/zinc/01/94/80/160019480.db2.gz XZBFTNGNHRGWCB-GOEBONIOSA-N -1 3 348.811 2.148 10 30 EEEEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000295324345 270018368 /nfs/dbraw/zinc/01/83/68/270018368.db2.gz PXRDPMMTMWJWMB-LBPRGKRZSA-N -1 3 348.346 2.423 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000431612994 268167494 /nfs/dbraw/zinc/16/74/94/268167494.db2.gz BVWKZLFXDUFMTC-GCZXYKMCSA-N -1 3 335.385 2.323 10 30 EEEEHM Cc1nc(N2CCOCC2)ccc1[N-]c1ncc(C#N)cc1[N+](=O)[O-] ZINC000297550092 465260412 /nfs/dbraw/zinc/26/04/12/465260412.db2.gz QSTSTOHFTSDIFF-UHFFFAOYSA-N -1 3 340.343 2.145 10 30 EEEEHM CC(=O)NCc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)s1 ZINC000067591977 463023216 /nfs/dbraw/zinc/02/32/16/463023216.db2.gz HWCXMYNVXMUMHZ-UHFFFAOYSA-N -1 3 342.384 2.201 10 30 EEEEHM CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)s1 ZINC000067591977 463023219 /nfs/dbraw/zinc/02/32/19/463023219.db2.gz HWCXMYNVXMUMHZ-UHFFFAOYSA-N -1 3 342.384 2.201 10 30 EEEEHM CCOC(=O)C(C#N)=N[N-]c1ccccc1I ZINC000034856801 463430465 /nfs/dbraw/zinc/43/04/65/463430465.db2.gz YTAXXXGGRISGEV-GDNBJRDFSA-N -1 3 343.124 2.146 10 30 EEEEHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000151141380 463482781 /nfs/dbraw/zinc/48/27/81/463482781.db2.gz IJDCMEHSOCEDOL-HNNXBMFYSA-N -1 3 334.372 2.363 10 30 EEEEHM N#CC1(c2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)CC1 ZINC000180708308 464375420 /nfs/dbraw/zinc/37/54/20/464375420.db2.gz GHCSXOGURHNKMI-UHFFFAOYSA-N -1 3 349.390 2.107 10 30 EEEEHM CC[C@]1(C[N-]S(=O)(=O)CC2(C#N)CCC2)OCCc2ccccc21 ZINC000589235974 468135977 /nfs/dbraw/zinc/13/59/77/468135977.db2.gz YAPKRVLAMACUEQ-GOSISDBHSA-N -1 3 348.468 2.478 10 30 EEEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000591821299 468527004 /nfs/dbraw/zinc/52/70/04/468527004.db2.gz BHMWAPPSFUSVNI-ILWJIGKKSA-N -1 3 341.230 2.398 10 30 EEEEHM N#Cc1ccc(OC2CCN(C(=O)Cc3cncc([O-])c3)CC2)cc1 ZINC000594419852 468579309 /nfs/dbraw/zinc/57/93/09/468579309.db2.gz AXNYLSAUNCCDQE-UHFFFAOYSA-N -1 3 337.379 2.271 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)CCc1ccccc1F)C(=O)OCC ZINC000594780511 468683240 /nfs/dbraw/zinc/68/32/40/468683240.db2.gz QTGSIYFOQBLMTG-OAHLLOKOSA-N -1 3 343.420 2.186 10 30 EEEEHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574037 469042257 /nfs/dbraw/zinc/04/22/57/469042257.db2.gz XJBMNJSWRHQXIB-RYUDHWBXSA-N -1 3 328.459 2.492 10 30 EEEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1(CO)CCC1 ZINC000593599779 469053631 /nfs/dbraw/zinc/05/36/31/469053631.db2.gz YPEHGTNEDYRDET-CYBMUJFWSA-N -1 3 328.459 2.085 10 30 EEEEHM CO[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593602773 469054577 /nfs/dbraw/zinc/05/45/77/469054577.db2.gz GLCRGBKOGJFVRJ-CYBMUJFWSA-N -1 3 336.438 2.156 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC2(CO)CCC2)c1 ZINC000593664316 469084259 /nfs/dbraw/zinc/08/42/59/469084259.db2.gz KCJXTAYBMNFFAW-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000599359850 469226035 /nfs/dbraw/zinc/22/60/35/469226035.db2.gz GXIWZWDFBKAJPG-UHFFFAOYSA-N -1 3 328.390 2.484 10 30 EEEEHM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)CO2 ZINC000599374094 469233858 /nfs/dbraw/zinc/23/38/58/469233858.db2.gz GZNAEKRXFWNUJF-CQSZACIVSA-N -1 3 334.441 2.302 10 30 EEEEHM N#C[C@@]1(F)CCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000615932150 469341087 /nfs/dbraw/zinc/34/10/87/469341087.db2.gz CLUQROBEOIBVCZ-ZDUSSCGKSA-N -1 3 327.153 2.161 10 30 EEEEHM C=C1CC(C)(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])C1 ZINC000632139213 470204165 /nfs/dbraw/zinc/20/41/65/470204165.db2.gz LUNQUNBSBIOFPM-UHFFFAOYSA-N -1 3 336.413 2.227 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000632207660 470207906 /nfs/dbraw/zinc/20/79/06/470207906.db2.gz LPGGGPMEPPOLKZ-CYBMUJFWSA-N -1 3 338.454 2.334 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000350005034 527210474 /nfs/dbraw/zinc/21/04/74/527210474.db2.gz CVEKKMCSOGTGGX-MRVPVSSYSA-N -1 3 340.228 2.217 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)nc1 ZINC000728818635 576533662 /nfs/dbraw/zinc/53/36/62/576533662.db2.gz OHMIJZNDGVKQKF-UHFFFAOYSA-N -1 3 330.347 2.374 10 30 EEEEHM C#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000733287629 577219504 /nfs/dbraw/zinc/21/95/04/577219504.db2.gz KLGIZMUOJZQOOH-UHFFFAOYSA-N -1 3 346.383 2.380 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc[nH]cc-2n1 ZINC000760703826 577668335 /nfs/dbraw/zinc/66/83/35/577668335.db2.gz SYQNJTBEFMOEJR-UHFFFAOYSA-N -1 3 336.355 2.118 10 30 EEEEHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744034688 577892394 /nfs/dbraw/zinc/89/23/94/577892394.db2.gz FAYFBALQXPVFMU-RNOHYWCBSA-N -1 3 325.368 2.002 10 30 EEEEHM O=C1[C@@H](NCc2cccc(F)c2OCC(F)(F)F)CCCN1[O-] ZINC000895156452 684142321 /nfs/dbraw/zinc/14/23/21/684142321.db2.gz CHHXRIWXIKLHRX-NSHDSACASA-N -1 3 336.285 2.237 10 30 EEEEHM CC#CCCCC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001745385276 1179770283 /nfs/dbraw/zinc/77/02/83/1179770283.db2.gz BPMACYMJTSUMPL-HNNXBMFYSA-N -1 3 328.412 2.307 10 30 EEEEHM C#CCC1(C(=O)N[C@@H](CC)CNC(=O)c2ccccc2[O-])CCC1 ZINC001746114927 1187440836 /nfs/dbraw/zinc/44/08/36/1187440836.db2.gz XMAHGLKQMVOWGV-AWEZNQCLSA-N -1 3 328.412 2.210 10 30 EEEEHM C#CCOCCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468299 1201083977 /nfs/dbraw/zinc/08/39/77/1201083977.db2.gz RGSRTEMIUFMQBD-ZDUSSCGKSA-N -1 3 340.345 2.309 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)nn1 ZINC000867486037 1201621054 /nfs/dbraw/zinc/62/10/54/1201621054.db2.gz JSKQXXNZOVQCAT-UHFFFAOYSA-N -1 3 328.397 2.014 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC)c1ccc(F)cc1 ZINC000882212234 1201832580 /nfs/dbraw/zinc/83/25/80/1201832580.db2.gz GYULCBPEFDKEPO-GJZGRUSLSA-N -1 3 341.404 2.151 10 30 EEEEHM Cc1nc2cccc(Cl)c2cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000868563900 1201835913 /nfs/dbraw/zinc/83/59/13/1201835913.db2.gz XNFQUZSFVXMBLN-AWEZNQCLSA-N -1 3 333.775 2.307 10 30 EEEEHM C=CCCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OC ZINC000928315508 1206372068 /nfs/dbraw/zinc/37/20/68/1206372068.db2.gz RXVWCNHNHKZCLN-AWEZNQCLSA-N -1 3 328.368 2.156 10 30 EEEEHM C#CCN1CCC(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000928661032 1206408899 /nfs/dbraw/zinc/40/88/99/1206408899.db2.gz LKEPIHVTNBCMJP-UHFFFAOYSA-N -1 3 336.819 2.272 10 30 EEEEHM C#CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)C(C)(C)C ZINC000932465076 1207612226 /nfs/dbraw/zinc/61/22/26/1207612226.db2.gz RWKYWSMIZJFUJJ-UHFFFAOYSA-N -1 3 347.440 2.313 10 30 EEEEHM CCOC(=O)C[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccncc1 ZINC000840709659 1315401176 /nfs/dbraw/zinc/40/11/76/1315401176.db2.gz KWRVSPADLKVYJQ-CTJICSLTSA-N -1 3 343.383 2.096 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001280714722 1324432676 /nfs/dbraw/zinc/43/26/76/1324432676.db2.gz XZOWNAKWZRCVMY-MFCZKXCZSA-N -1 3 342.439 2.429 10 30 EEEEHM C=C(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001280718361 1324435296 /nfs/dbraw/zinc/43/52/96/1324435296.db2.gz BYWVXHIYCUROFW-WMLDXEAASA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCC1(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001283837687 1326281191 /nfs/dbraw/zinc/28/11/91/1326281191.db2.gz RAHODBGDSZYBQR-AWEZNQCLSA-N -1 3 328.412 2.469 10 30 EEEEHM C=CC[C@@H](CO)CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001295810190 1329846225 /nfs/dbraw/zinc/84/62/25/1329846225.db2.gz ZAFYHXZJZJLUEJ-SNVBAGLBSA-N -1 3 341.433 2.405 10 30 EEEEHM C#CC[C@H](CCOC)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001301815618 1331311932 /nfs/dbraw/zinc/31/19/32/1331311932.db2.gz ZIUXTVQNJZAQPB-LLVKDONJSA-N -1 3 332.787 2.340 10 30 EEEEHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001329654023 1334691196 /nfs/dbraw/zinc/69/11/96/1334691196.db2.gz SCTKUZZUDOSJOM-GFCCVEGCSA-N -1 3 342.298 2.311 10 30 EEEEHM CC(C)C#CC(=O)N1CC2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001335546249 1336392949 /nfs/dbraw/zinc/39/29/49/1336392949.db2.gz QWRMOVDQNRBLEZ-UHFFFAOYSA-N -1 3 340.423 2.116 10 30 EEEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001339606918 1337036653 /nfs/dbraw/zinc/03/66/53/1337036653.db2.gz OWXXOEMWTJAEAE-OAHLLOKOSA-N -1 3 348.357 2.252 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)OC2(CCC2)C1 ZINC001339880371 1337089604 /nfs/dbraw/zinc/08/96/04/1337089604.db2.gz PMEMARROVSFYEO-JTQLQIEISA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)OC2(CCC2)C1 ZINC001339880371 1337089607 /nfs/dbraw/zinc/08/96/07/1337089607.db2.gz PMEMARROVSFYEO-JTQLQIEISA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001340571561 1337208420 /nfs/dbraw/zinc/20/84/20/1337208420.db2.gz NLORAURCBCUDHS-ZYHUDNBSSA-N -1 3 332.383 2.119 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C(C)C)C1 ZINC001343580533 1337338879 /nfs/dbraw/zinc/33/88/79/1337338879.db2.gz GTRMCRVZWJLRBV-CYBMUJFWSA-N -1 3 328.420 2.499 10 30 EEEEHM Cc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1NC(=O)OC(C)(C)C ZINC001556750290 1342434314 /nfs/dbraw/zinc/43/43/14/1342434314.db2.gz FZQBRBZJCKNKJR-GFCCVEGCSA-N -1 3 349.387 2.062 10 30 EEEEHM C#CCOCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC001559310253 1342501000 /nfs/dbraw/zinc/50/10/00/1342501000.db2.gz XAUAUJCCAVBSNI-UHFFFAOYSA-N -1 3 326.381 2.263 10 30 EEEEHM C=CCCCC(=O)NCC(C)(C)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001678041092 1357459104 /nfs/dbraw/zinc/45/91/04/1357459104.db2.gz UNXGFADGDJDVCP-UHFFFAOYSA-N -1 3 348.447 2.061 10 30 EEEEHM C=C(C)[C@@H](CC(=O)NC[C@H](C)N(C)C(=O)c1ccccc1[O-])OCC ZINC001678195853 1357481645 /nfs/dbraw/zinc/48/16/45/1357481645.db2.gz DJFWCXBHIIOBLL-WMLDXEAASA-N -1 3 348.443 2.340 10 30 EEEEHM C=CCC[C@H](NCc1ccc([O-])c(OC)c1[N+](=O)[O-])C(=O)OCC ZINC001621340117 1352366745 /nfs/dbraw/zinc/36/67/45/1352366745.db2.gz BDNSNBMWYFOWQD-LBPRGKRZSA-N -1 3 338.360 2.297 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC001662896083 1354874032 /nfs/dbraw/zinc/87/40/32/1354874032.db2.gz VBIUDYRKZKICHJ-ZIAGYGMSSA-N -1 3 348.449 2.269 10 30 EEEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001664039359 1355079010 /nfs/dbraw/zinc/07/90/10/1355079010.db2.gz PTKPHBALDIZHSW-OAHLLOKOSA-N -1 3 327.377 2.083 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CCCC1 ZINC001213514186 757121346 /nfs/dbraw/zinc/12/13/46/757121346.db2.gz AUUATFLAMNILRR-UHFFFAOYSA-N -1 3 341.816 2.351 10 30 EEEEHM C#CC1(F)CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000919960982 770473129 /nfs/dbraw/zinc/47/31/29/770473129.db2.gz GWXASSJVBVKPCT-UHFFFAOYSA-N -1 3 325.365 2.287 10 30 EEEEHM Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H]2CCN([O-])C2=O)c(C)c1 ZINC000816691135 784199506 /nfs/dbraw/zinc/19/95/06/784199506.db2.gz LQCHTRFOFNQBBQ-CQSZACIVSA-N -1 3 332.400 2.071 10 30 EEEEHM C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820137725 785805523 /nfs/dbraw/zinc/80/55/23/785805523.db2.gz QQGLAVNDBJTREW-IDVQTMNDSA-N -1 3 344.289 2.095 10 30 EEEEHM N#Cc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000171820475 791486219 /nfs/dbraw/zinc/48/62/19/791486219.db2.gz DGJRITZXTVUOFE-MDZDMXLPSA-N -1 3 330.351 2.068 10 30 EEEEHM N#Cc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000171820475 791486222 /nfs/dbraw/zinc/48/62/22/791486222.db2.gz DGJRITZXTVUOFE-MDZDMXLPSA-N -1 3 330.351 2.068 10 30 EEEEHM COCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000790168338 808475998 /nfs/dbraw/zinc/47/59/98/808475998.db2.gz SAJDOBJHTNELNA-UHFFFAOYSA-N -1 3 332.425 2.199 10 30 EEEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@H](C)CCC)C(=O)OCC ZINC001475578677 1110615027 /nfs/dbraw/zinc/61/50/27/1110615027.db2.gz LFWOSPQSDIZPDK-PWSUYJOCSA-N -1 3 325.858 2.416 10 30 EEEEHM C#CC1(F)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC001471609325 1110525576 /nfs/dbraw/zinc/52/55/76/1110525576.db2.gz RKOSPQMZAQEVSZ-UHFFFAOYSA-N -1 3 349.159 2.088 10 30 EEEEHM N#Cc1cnc(NCc2cc(=O)[n-]c(C3CCC3)n2)c([N+](=O)[O-])c1 ZINC001472844086 1110564357 /nfs/dbraw/zinc/56/43/57/1110564357.db2.gz DFXHIAWOROSKRK-UHFFFAOYSA-N -1 3 326.316 2.237 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001506445959 1114613047 /nfs/dbraw/zinc/61/30/47/1114613047.db2.gz LLWHPBUTKBKYIF-IBGZPJMESA-N -1 3 328.412 2.163 10 30 EEEEHM C=CC1(CC(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001506898729 1114958498 /nfs/dbraw/zinc/95/84/98/1114958498.db2.gz XTGXZVJFOSXDTD-HDJSIYSDSA-N -1 3 347.463 2.021 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N(CC)[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001512465813 1118550093 /nfs/dbraw/zinc/55/00/93/1118550093.db2.gz QBEMHEQQPZJELG-OCCSQVGLSA-N -1 3 348.447 2.060 10 30 EEEEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000089783242 159185365 /nfs/dbraw/zinc/18/53/65/159185365.db2.gz VVWMABKOZPTKKJ-JTQLQIEISA-N -1 3 344.820 2.222 10 30 EEEEHM CCc1cnc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1 ZINC000360253387 164268733 /nfs/dbraw/zinc/26/87/33/164268733.db2.gz YLYPWJUTPNQAIL-UHFFFAOYSA-N -1 3 339.417 2.336 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000528500112 268326080 /nfs/dbraw/zinc/32/60/80/268326080.db2.gz GEWNUTIHCCKUPI-INIZCTEOSA-N -1 3 328.397 2.168 10 30 EEEEHM N#Cc1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)ccc1Cl ZINC000130811139 462777223 /nfs/dbraw/zinc/77/72/23/462777223.db2.gz PIKLMXWQZLQZAF-UHFFFAOYSA-N -1 3 333.760 2.284 10 30 EEEEHM N#Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)ccc1Cl ZINC000130811139 462777225 /nfs/dbraw/zinc/77/72/25/462777225.db2.gz PIKLMXWQZLQZAF-UHFFFAOYSA-N -1 3 333.760 2.284 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)c2c(F)cc(C#N)cc2F)n[n-]1 ZINC000119359487 462892994 /nfs/dbraw/zinc/89/29/94/462892994.db2.gz LLZOPIHEYNBHTD-UHFFFAOYSA-N -1 3 328.282 2.212 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)c2c(F)cc(C#N)cc2F)[n-]n1 ZINC000119359487 462893000 /nfs/dbraw/zinc/89/30/00/462893000.db2.gz LLZOPIHEYNBHTD-UHFFFAOYSA-N -1 3 328.282 2.212 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000171620525 463895095 /nfs/dbraw/zinc/89/50/95/463895095.db2.gz LKCSPIBNWACTOR-UHFFFAOYSA-N -1 3 335.316 2.084 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000274387023 464744813 /nfs/dbraw/zinc/74/48/13/464744813.db2.gz RTJMMXPIPBYSMT-HNNXBMFYSA-N -1 3 342.417 2.290 10 30 EEEEHM C=CCCCCCn1cc(I)c(=O)[n-]c1=O ZINC000579860326 468426399 /nfs/dbraw/zinc/42/63/99/468426399.db2.gz CUENDBRFSVZQOA-UHFFFAOYSA-N -1 3 334.157 2.300 10 30 EEEEHM N#CCCC[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccccc1 ZINC000342857202 465360297 /nfs/dbraw/zinc/36/02/97/465360297.db2.gz KCMVLUZPYYUFMI-LBPRGKRZSA-N -1 3 329.385 2.028 10 30 EEEEHM COC(=O)c1cc(C(=O)Nc2nc(C)c(SCC#N)s2)c[n-]1 ZINC000339650582 465418750 /nfs/dbraw/zinc/41/87/50/465418750.db2.gz JWNMCIRXBWKCHE-UHFFFAOYSA-N -1 3 336.398 2.434 10 30 EEEEHM C=CC[C@H]1CCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000600027596 468438280 /nfs/dbraw/zinc/43/82/80/468438280.db2.gz XIAYWXLMLHUMBN-NSHDSACASA-N -1 3 336.413 2.288 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000353717076 466091211 /nfs/dbraw/zinc/09/12/11/466091211.db2.gz GYISTAXCSZUIIN-LEWSCRJBSA-N -1 3 331.416 2.233 10 30 EEEEHM CC[C@H](C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000362104791 466560957 /nfs/dbraw/zinc/56/09/57/466560957.db2.gz DKJJRQZPASLKKF-SECBINFHSA-N -1 3 334.173 2.323 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1C#N ZINC000434424669 467397400 /nfs/dbraw/zinc/39/74/00/467397400.db2.gz KIXSVOSGXDXEKY-ZDUSSCGKSA-N -1 3 346.456 2.127 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000452917920 467439512 /nfs/dbraw/zinc/43/95/12/467439512.db2.gz AXFIOXNECXGZEI-YPMHNXCESA-N -1 3 326.190 2.157 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)CCCC1 ZINC000566002598 468141926 /nfs/dbraw/zinc/14/19/26/468141926.db2.gz SZSRXIJJGOXDRI-AWEZNQCLSA-N -1 3 338.404 2.133 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594489080 468607171 /nfs/dbraw/zinc/60/71/71/468607171.db2.gz QURXHJSYXQSBRI-LLVKDONJSA-N -1 3 326.443 2.390 10 30 EEEEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000595392792 468836357 /nfs/dbraw/zinc/83/63/57/468836357.db2.gz PUAHKNBCHSFWJB-LLVKDONJSA-N -1 3 328.821 2.305 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000601502858 468898233 /nfs/dbraw/zinc/89/82/33/468898233.db2.gz VCURNVLVZOTPQI-NWDGAFQWSA-N -1 3 339.404 2.239 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c([nH]c2=O)CCCC3)cc1F ZINC000593285290 468927933 /nfs/dbraw/zinc/92/79/33/468927933.db2.gz QQNCYTCUSHYUNS-UHFFFAOYSA-N -1 3 347.371 2.478 10 30 EEEEHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593567441 469039392 /nfs/dbraw/zinc/03/93/92/469039392.db2.gz QZOINBFJQGWUJI-QMMMGPOBSA-N -1 3 325.415 2.307 10 30 EEEEHM C=CC(C)(C)CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000626471343 469619413 /nfs/dbraw/zinc/61/94/13/469619413.db2.gz AIBFMDVRYGHEMA-AWEZNQCLSA-N -1 3 344.415 2.161 10 30 EEEEHM C=CCN1CCC(N=c2[n-]c(-c3cc(F)cc(OC)c3)no2)CC1 ZINC000623951660 469804327 /nfs/dbraw/zinc/80/43/27/469804327.db2.gz VKXKLHFHWWMIDW-UHFFFAOYSA-N -1 3 332.379 2.369 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H](c2nnc3ccccn32)C(C)C)c1[O-] ZINC000726119140 576238693 /nfs/dbraw/zinc/23/86/93/576238693.db2.gz VVZYIDYSTAZBGN-UGNSCYDZSA-N -1 3 339.399 2.447 10 30 EEEEHM CC(C)(C)OC(=O)c1ccc(CN[C@H]2CCCN([O-])C2=O)s1 ZINC000895157972 684146473 /nfs/dbraw/zinc/14/64/73/684146473.db2.gz VAFRJAFJDZOAQB-NSHDSACASA-N -1 3 326.418 2.173 10 30 EEEEHM COCC(=O)N[C@H](C(=O)N([O-])CCCCc1ccccc1)C(C)C ZINC000904196668 694325880 /nfs/dbraw/zinc/32/58/80/694325880.db2.gz BUIGCDPUOPQUPK-KRWDZBQOSA-N -1 3 336.432 2.014 10 30 EEEEHM C[C@H](NCc1cc(C#N)ccc1F)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001485135106 1191659394 /nfs/dbraw/zinc/65/93/94/1191659394.db2.gz BUEUUCKHGJVRGJ-RYUDHWBXSA-N -1 3 342.374 2.095 10 30 EEEEHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccccc1[O-] ZINC001486529582 1194053326 /nfs/dbraw/zinc/05/33/26/1194053326.db2.gz FUBXGBLXGPWTTL-XHBKTUGNSA-N -1 3 349.390 2.064 10 30 EEEEHM C=CCCn1cc(CO[N-]C(=O)CCc2ccc(OC)cc2)nn1 ZINC000871798367 1197908841 /nfs/dbraw/zinc/90/88/41/1197908841.db2.gz HQRRPIMIYAAZEK-UHFFFAOYSA-N -1 3 330.388 2.043 10 30 EEEEHM C=CCOc1ccccc1CN1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000877777729 1200096110 /nfs/dbraw/zinc/09/61/10/1200096110.db2.gz CTEWENXZMRAKPJ-UHFFFAOYSA-N -1 3 328.334 2.362 10 30 EEEEHM C=CCCc1ccc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)cc1 ZINC000886406377 1202503277 /nfs/dbraw/zinc/50/32/77/1202503277.db2.gz XHMBYCLUDWMQKT-UHFFFAOYSA-N -1 3 348.472 2.364 10 30 EEEEHM N#CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)C(F)(F)F ZINC000901771705 1236298912 /nfs/dbraw/zinc/29/89/12/1236298912.db2.gz LHNORDUOOCGLDG-CYBMUJFWSA-N -1 3 346.330 2.328 10 30 EEEEHM C#CCC1(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCCCC1 ZINC000902985042 1239266799 /nfs/dbraw/zinc/26/67/99/1239266799.db2.gz JBTBYKUAAUTGJP-UHFFFAOYSA-N -1 3 325.368 2.418 10 30 EEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000859427828 1294436308 /nfs/dbraw/zinc/43/63/08/1294436308.db2.gz OKDKTXGOSVPQJK-JTQLQIEISA-N -1 3 339.310 2.161 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(=O)OC ZINC001213735325 1296151688 /nfs/dbraw/zinc/15/16/88/1296151688.db2.gz QZMIRVDBBCBDOM-NPCAHTBFSA-N -1 3 329.462 2.384 10 30 EEEEHM C=CCCC(=O)N[C@@H](CNC(=O)c1cccc2n[n-]nc21)CC(C)C ZINC001746680462 1321447761 /nfs/dbraw/zinc/44/77/61/1321447761.db2.gz FKGRSNJNMURQQF-CYBMUJFWSA-N -1 3 343.431 2.185 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001265299403 1323049457 /nfs/dbraw/zinc/04/94/57/1323049457.db2.gz OHXAUEZGHYDVJA-ZFWWWQNUSA-N -1 3 344.459 2.352 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@@H](C)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001280824844 1324544457 /nfs/dbraw/zinc/54/44/57/1324544457.db2.gz NVVWCXBONHGEQO-LBPRGKRZSA-N -1 3 348.447 2.108 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001287892297 1327559313 /nfs/dbraw/zinc/55/93/13/1327559313.db2.gz MYGZNRCGRATMNS-GOEBONIOSA-N -1 3 328.412 2.305 10 30 EEEEHM CCCCCCCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001287900538 1327561193 /nfs/dbraw/zinc/56/11/93/1327561193.db2.gz NMHJNJLOYSDESY-KGLIPLIRSA-N -1 3 335.452 2.275 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001288290586 1327704212 /nfs/dbraw/zinc/70/42/12/1327704212.db2.gz SWDPMAULSUTYNO-NFOMZHRRSA-N -1 3 346.427 2.093 10 30 EEEEHM COc1ccccc1Nc1ccccc1C(=O)N[C@H]1CCN([O-])C1=O ZINC001298427954 1330076971 /nfs/dbraw/zinc/07/69/71/1330076971.db2.gz YGAXFPUYQQMPKG-HNNXBMFYSA-N -1 3 341.367 2.159 10 30 EEEEHM C#CCCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001497974095 1342103278 /nfs/dbraw/zinc/10/32/78/1342103278.db2.gz BCMVVOBDFFQGNW-HNNXBMFYSA-N -1 3 328.412 2.307 10 30 EEEEHM O=C(CC#Cc1ccccc1)NC/C=C/CNC(=O)c1ccccc1[O-] ZINC001583075294 1344870402 /nfs/dbraw/zinc/87/04/02/1344870402.db2.gz YGBCTRLRXOXEFJ-VOTSOKGWSA-N -1 3 348.402 2.236 10 30 EEEEHM C#CCOc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001638549069 1352688928 /nfs/dbraw/zinc/68/89/28/1352688928.db2.gz QJZJDPYLWCVBIS-UHFFFAOYSA-N -1 3 333.351 2.055 10 30 EEEEHM C#CCOc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001638549069 1352688930 /nfs/dbraw/zinc/68/89/30/1352688930.db2.gz QJZJDPYLWCVBIS-UHFFFAOYSA-N -1 3 333.351 2.055 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCCC1 ZINC001656624476 1354253137 /nfs/dbraw/zinc/25/31/37/1354253137.db2.gz PMUSILIBYQISCT-UHFFFAOYSA-N -1 3 326.349 2.267 10 30 EEEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001661750606 1354689674 /nfs/dbraw/zinc/68/96/74/1354689674.db2.gz CUURXPKTXLGQGK-GFCCVEGCSA-N -1 3 327.377 2.001 10 30 EEEEHM C=CCC[N-]S(=O)(=O)c1ccc(I)s1 ZINC000907278941 784494213 /nfs/dbraw/zinc/49/42/13/784494213.db2.gz OGFOHPRJZDFAEO-UHFFFAOYSA-N -1 3 343.211 2.207 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000820186297 785829377 /nfs/dbraw/zinc/82/93/77/785829377.db2.gz XIULSVXEYZBXIU-SUMWQHHRSA-N -1 3 341.411 2.434 10 30 EEEEHM C=C[C@H](C)O[N-]C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000824034245 788018989 /nfs/dbraw/zinc/01/89/89/788018989.db2.gz ZIUUPFJKGJRECJ-NSHDSACASA-N -1 3 338.408 2.322 10 30 EEEEHM C#CCN1CCC(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC000923176721 789071627 /nfs/dbraw/zinc/07/16/27/789071627.db2.gz JOLWGIPYVIGVNG-KRWDZBQOSA-N -1 3 334.460 2.119 10 30 EEEEHM C#CCCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001511143441 1117964805 /nfs/dbraw/zinc/96/48/05/1117964805.db2.gz KUKJPKPMNAINDL-GOEBONIOSA-N -1 3 328.412 2.305 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001514776993 1118868828 /nfs/dbraw/zinc/86/88/28/1118868828.db2.gz NXEZLGXQANNOPW-OKILXGFUSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C)n1 ZINC001519551490 1119086749 /nfs/dbraw/zinc/08/67/49/1119086749.db2.gz YUHFAINOFSLXSO-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001536217412 1123664883 /nfs/dbraw/zinc/66/48/83/1123664883.db2.gz WHFNTFOVHLEWBA-IYBDPMFKSA-N -1 3 340.423 2.401 10 30 EEEEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C[C@H](C)C#N)C1CC1 ZINC000441926924 242091898 /nfs/dbraw/zinc/09/18/98/242091898.db2.gz PKDZCMIOKFNICE-SNVBAGLBSA-N -1 3 349.412 2.014 10 30 EEEEHM CC1(C)C[C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C(C)(C)O1 ZINC000360023740 164217583 /nfs/dbraw/zinc/21/75/83/164217583.db2.gz LNOKGNFIRMNQRD-AWEZNQCLSA-N -1 3 340.420 2.463 10 30 EEEEHM CCNC(=O)N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000155056887 462841446 /nfs/dbraw/zinc/84/14/46/462841446.db2.gz ZNWAAVONOPPNEC-VQGSWFTOSA-N -1 3 340.221 2.377 10 30 EEEEHM CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000119041828 462870018 /nfs/dbraw/zinc/87/00/18/462870018.db2.gz XCDUKTFTYPGNJY-DZGCQCFKSA-N -1 3 329.400 2.005 10 30 EEEEHM C=CCn1nnnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000069437547 463247056 /nfs/dbraw/zinc/24/70/56/463247056.db2.gz JCEJZICLUXHORS-UHFFFAOYSA-N -1 3 340.368 2.134 10 30 EEEEHM COCCN(CCC#N)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000072688986 463534269 /nfs/dbraw/zinc/53/42/69/463534269.db2.gz ZGWAYXTZNZIVRY-UHFFFAOYSA-N -1 3 326.356 2.031 10 30 EEEEHM N#CCC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000542904551 468390883 /nfs/dbraw/zinc/39/08/83/468390883.db2.gz YKIYRGZEIQNVGY-MRXNPFEDSA-N -1 3 341.411 2.149 10 30 EEEEHM C[C@H](CC#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000346982806 466296811 /nfs/dbraw/zinc/29/68/11/466296811.db2.gz HCHWPDHLSSIKBG-MRVPVSSYSA-N -1 3 334.173 2.323 10 30 EEEEHM Cc1ncc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)cc1C#N ZINC000427759282 467176207 /nfs/dbraw/zinc/17/62/07/467176207.db2.gz AXTFDYZTGBEBNM-UHFFFAOYSA-N -1 3 344.440 2.167 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594490977 468608312 /nfs/dbraw/zinc/60/83/12/468608312.db2.gz LMISRPGGGXKVOZ-AWEZNQCLSA-N -1 3 338.404 2.467 10 30 EEEEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000600668111 468614961 /nfs/dbraw/zinc/61/49/61/468614961.db2.gz LVJAHIDRNJRZNI-GJZGRUSLSA-N -1 3 342.436 2.241 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)[C@@H]1OCCc2sccc21 ZINC000583298807 468673981 /nfs/dbraw/zinc/67/39/81/468673981.db2.gz IXJSRHYIYGRQEF-RISCZKNCSA-N -1 3 340.470 2.364 10 30 EEEEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594792319 468687325 /nfs/dbraw/zinc/68/73/25/468687325.db2.gz PIIXWVSHCMZDPN-CYBMUJFWSA-N -1 3 341.864 2.363 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)NCC2(C#N)CCCCC2)c([O-])c1 ZINC000598310314 468827624 /nfs/dbraw/zinc/82/76/24/468827624.db2.gz HCSWNFJTJIDSOU-UHFFFAOYSA-N -1 3 343.427 2.411 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OC ZINC000601502057 468896985 /nfs/dbraw/zinc/89/69/85/468896985.db2.gz SBCYLNDBHBMSSV-JTQLQIEISA-N -1 3 333.356 2.059 10 30 EEEEHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccsc1 ZINC000593528698 469018746 /nfs/dbraw/zinc/01/87/46/469018746.db2.gz FGKSSBXXMFMELN-NSHDSACASA-N -1 3 341.483 2.262 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599483268 469272519 /nfs/dbraw/zinc/27/25/19/469272519.db2.gz UPXPIPZZTFCAOY-WCQYABFASA-N -1 3 326.805 2.057 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000758617568 577628512 /nfs/dbraw/zinc/62/85/12/577628512.db2.gz HJFYCDHPMQNVRE-JTQLQIEISA-N -1 3 344.795 2.243 10 30 EEEEHM C#CCCCOc1cccnc1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897347356 687263618 /nfs/dbraw/zinc/26/36/18/687263618.db2.gz KXYPEAVFDKKFCR-CQSZACIVSA-N -1 3 339.399 2.060 10 30 EEEEHM O=C(C[C@H]1CCCS1(=O)=O)N([O-])CCCCc1ccccc1 ZINC000904196271 694326292 /nfs/dbraw/zinc/32/62/92/694326292.db2.gz RZKWINGJIGZELL-OAHLLOKOSA-N -1 3 325.430 2.194 10 30 EEEEHM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888234177 692182884 /nfs/dbraw/zinc/18/28/84/692182884.db2.gz ZIGXQODNYSLHRT-CQSZACIVSA-N -1 3 330.432 2.194 10 30 EEEEHM CSc1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1C#N ZINC000899379682 693724404 /nfs/dbraw/zinc/72/44/04/693724404.db2.gz VCNDBIVAGSHJNV-UHFFFAOYSA-N -1 3 342.424 2.252 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001483678215 1190737886 /nfs/dbraw/zinc/73/78/86/1190737886.db2.gz PXPNFPZYAWQHBY-BEFAXECRSA-N -1 3 344.459 2.352 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000870692396 1200816644 /nfs/dbraw/zinc/81/66/44/1200816644.db2.gz CIPIFEZVRKPGAU-QGZVFWFLSA-N -1 3 336.395 2.275 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)C(=O)OCC ZINC000882644465 1201912624 /nfs/dbraw/zinc/91/26/24/1201912624.db2.gz GQSOGFHYYJDGJP-VXGBXAGGSA-N -1 3 339.404 2.239 10 30 EEEEHM N#CC[C@H]([N-]S(=O)(=O)c1cccc2c1OCCC2)C(F)(F)F ZINC000901773387 1236301746 /nfs/dbraw/zinc/30/17/46/1236301746.db2.gz YBCDNODZBGZVHX-NSHDSACASA-N -1 3 334.319 2.134 10 30 EEEEHM C#Cc1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c(Cl)c1 ZINC000901963643 1236729250 /nfs/dbraw/zinc/72/92/50/1236729250.db2.gz XODDSIQZXJLZFF-UHFFFAOYSA-N -1 3 332.834 2.240 10 30 EEEEHM C#CCC1(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001488163139 1286876676 /nfs/dbraw/zinc/87/66/76/1286876676.db2.gz AUCFCHBRKOSDLM-GJZGRUSLSA-N -1 3 340.423 2.305 10 30 EEEEHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000856105582 1293406013 /nfs/dbraw/zinc/40/60/13/1293406013.db2.gz ABMCGAOAEWSQKI-AWEZNQCLSA-N -1 3 338.310 2.231 10 30 EEEEHM CC(C)[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001297945915 1330019623 /nfs/dbraw/zinc/01/96/23/1330019623.db2.gz KHWNHITWDGTKTO-OAHLLOKOSA-N -1 3 330.428 2.312 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001340595586 1337212447 /nfs/dbraw/zinc/21/24/47/1337212447.db2.gz ZWVKFWUZUMGLQB-MNOVXSKESA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001340595586 1337212450 /nfs/dbraw/zinc/21/24/50/1337212450.db2.gz ZWVKFWUZUMGLQB-MNOVXSKESA-N -1 3 349.826 2.050 10 30 EEEEHM Cc1nc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1C#N ZINC001343939340 1337357505 /nfs/dbraw/zinc/35/75/05/1337357505.db2.gz WFQWWZHIGGGQGS-UHFFFAOYSA-N -1 3 336.307 2.374 10 30 EEEEHM C#Cc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2CC)c1 ZINC001663861728 1355044715 /nfs/dbraw/zinc/04/47/15/1355044715.db2.gz LUXVAOMJEDCQLM-UHFFFAOYSA-N -1 3 347.392 2.088 10 30 EEEEHM Cc1nccnc1[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001433553870 1341624902 /nfs/dbraw/zinc/62/49/02/1341624902.db2.gz YYEZDFWCDHJCLH-ZDUSSCGKSA-N -1 3 339.399 2.184 10 30 EEEEHM COc1nsc(OC)c1C(=O)[N-]c1ncccc1OCCCC#N ZINC001627664057 1352505603 /nfs/dbraw/zinc/50/56/03/1352505603.db2.gz XJQZVIUGBCIXEA-UHFFFAOYSA-N -1 3 348.384 2.490 10 30 EEEEHM COC(=O)c1cc(NC(=O)c2cccc(C#N)c2)c([O-])c(OC)c1 ZINC001653217609 1354116981 /nfs/dbraw/zinc/11/69/81/1354116981.db2.gz HJYGPXWFVAFKBS-UHFFFAOYSA-N -1 3 326.308 2.311 10 30 EEEEHM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908858114 785797233 /nfs/dbraw/zinc/79/72/33/785797233.db2.gz GOADIISDEMMFJZ-JKSUJKDBSA-N -1 3 333.432 2.316 10 30 EEEEHM C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820137727 785805565 /nfs/dbraw/zinc/80/55/65/785805565.db2.gz QQGLAVNDBJTREW-LAUAKBEESA-N -1 3 344.289 2.095 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(COc2cccc(F)c2)c1 ZINC000820174155 785822026 /nfs/dbraw/zinc/82/20/26/785822026.db2.gz GUUSWLKBWTYBPX-MRXNPFEDSA-N -1 3 344.342 2.125 10 30 EEEEHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820186045 785828685 /nfs/dbraw/zinc/82/86/85/785828685.db2.gz UEADZVWELQXZLC-AAEUAGOBSA-N -1 3 344.333 2.380 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000911854482 787780442 /nfs/dbraw/zinc/78/04/42/787780442.db2.gz KRTFDTMXPRTNCO-UZYOAWRESA-N -1 3 325.368 2.179 10 30 EEEEHM C#CC[C@H](COC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000913348141 788805690 /nfs/dbraw/zinc/80/56/90/788805690.db2.gz HDZYPIFUZMMDCM-SECBINFHSA-N -1 3 347.159 2.090 10 30 EEEEHM C=CCn1cc2ccc([N-]C(=O)c3nc(-c4cnccn4)no3)cc2n1 ZINC001178764992 799614521 /nfs/dbraw/zinc/61/45/21/799614521.db2.gz CDAPMWRRBWUPKL-UHFFFAOYSA-N -1 3 347.338 2.315 10 30 EEEEHM CSc1ccc([O-])c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 ZINC001467530185 1110458136 /nfs/dbraw/zinc/45/81/36/1110458136.db2.gz JZGKANLBQJBXEQ-UHFFFAOYSA-N -1 3 332.381 2.163 10 30 EEEEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C2 ZINC001470674230 1110509865 /nfs/dbraw/zinc/50/98/65/1110509865.db2.gz MUQUKZWPCQDIMK-UHFFFAOYSA-N -1 3 347.296 2.403 10 30 EEEEHM Cn1ncc(Br)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472623427 1110560755 /nfs/dbraw/zinc/56/07/55/1110560755.db2.gz XFKHAPRZHWACJF-UHFFFAOYSA-N -1 3 328.141 2.353 10 30 EEEEHM C=CCCCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001509723714 1115884419 /nfs/dbraw/zinc/88/44/19/1115884419.db2.gz NTONZCZJSHONRH-RHSMWYFYSA-N -1 3 346.427 2.094 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000456052106 244140003 /nfs/dbraw/zinc/14/00/03/244140003.db2.gz QWDQNPUJSYYCLD-JQWIXIFHSA-N -1 3 339.399 2.363 10 30 EEEEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000121085180 292260923 /nfs/dbraw/zinc/26/09/23/292260923.db2.gz MYPWHFSBKWWQPV-HNNXBMFYSA-N -1 3 328.409 2.163 10 30 EEEEHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119589813 159380551 /nfs/dbraw/zinc/38/05/51/159380551.db2.gz VOVUQCQABWPXAH-LLVKDONJSA-N -1 3 336.355 2.088 10 30 EEEEHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119589813 159380553 /nfs/dbraw/zinc/38/05/53/159380553.db2.gz VOVUQCQABWPXAH-LLVKDONJSA-N -1 3 336.355 2.088 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000184879130 160019792 /nfs/dbraw/zinc/01/97/92/160019792.db2.gz XZBFTNGNHRGWCB-HOCLYGCPSA-N -1 3 348.811 2.148 10 30 EEEEHM N#Cc1cccc(N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)n1 ZINC000346708985 161394901 /nfs/dbraw/zinc/39/49/01/161394901.db2.gz WVXOWWSTATUQRU-UHFFFAOYSA-N -1 3 342.786 2.275 10 30 EEEEHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000048665634 462928843 /nfs/dbraw/zinc/92/88/43/462928843.db2.gz BVTAXLKVZPRNDD-UHFFFAOYSA-N -1 3 327.818 2.455 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178301827 463876857 /nfs/dbraw/zinc/87/68/57/463876857.db2.gz QBQOKVUVAWZLJM-GJZGRUSLSA-N -1 3 327.428 2.445 10 30 EEEEHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000186424980 463998052 /nfs/dbraw/zinc/99/80/52/463998052.db2.gz QJHGNZIRPQEPPL-JTQLQIEISA-N -1 3 330.793 2.097 10 30 EEEEHM C#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000274688248 464752883 /nfs/dbraw/zinc/75/28/83/464752883.db2.gz PSOWQUHJTPTQAB-UHFFFAOYSA-N -1 3 331.821 2.057 10 30 EEEEHM N#CCN1CCC[C@H](CNC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000267114048 464917274 /nfs/dbraw/zinc/91/72/74/464917274.db2.gz CESBWRAIDUANPB-CQSZACIVSA-N -1 3 327.428 2.236 10 30 EEEEHM N#C[C@H]1CN(Cc2cc([O-])ccc2Br)CCN1C1CC1 ZINC000371327649 465716950 /nfs/dbraw/zinc/71/69/50/465716950.db2.gz OMUNKNHBDHPTNJ-ZDUSSCGKSA-N -1 3 336.233 2.327 10 30 EEEEHM CC1(C#N)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000361231969 465851843 /nfs/dbraw/zinc/85/18/43/465851843.db2.gz WDXBPIZKPKTVJX-UHFFFAOYSA-N -1 3 346.184 2.276 10 30 EEEEHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc([O-])c3)C2=O)cc1 ZINC000357574299 466145300 /nfs/dbraw/zinc/14/53/00/466145300.db2.gz JLKJYAVEKDTOTJ-KRWDZBQOSA-N -1 3 335.363 2.189 10 30 EEEEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000425187002 467088228 /nfs/dbraw/zinc/08/82/28/467088228.db2.gz CVXPBGZROPVOMJ-GXSJLCMTSA-N -1 3 342.804 2.097 10 30 EEEEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000528488365 467685672 /nfs/dbraw/zinc/68/56/72/467685672.db2.gz HWCYOOKXDTXDEZ-IINYFYTJSA-N -1 3 326.805 2.057 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1ccc(F)cc1 ZINC000600667366 468615237 /nfs/dbraw/zinc/61/52/37/468615237.db2.gz BAXRCFYISVCIMW-UONOGXRCSA-N -1 3 328.409 2.371 10 30 EEEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000594789986 468685796 /nfs/dbraw/zinc/68/57/96/468685796.db2.gz OWMZZXAABXVMRR-QWRGUYRKSA-N -1 3 344.458 2.343 10 30 EEEEHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000594869664 468713194 /nfs/dbraw/zinc/71/31/94/468713194.db2.gz PPRZFUYWBGFJBT-UHFFFAOYSA-N -1 3 342.442 2.287 10 30 EEEEHM CN(CCC[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593524823 469015943 /nfs/dbraw/zinc/01/59/43/469015943.db2.gz AZZRKDILLIXDOC-UHFFFAOYSA-N -1 3 335.454 2.425 10 30 EEEEHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1cccs1 ZINC000593525183 469016891 /nfs/dbraw/zinc/01/68/91/469016891.db2.gz LADVRGUKHQNNDD-JTQLQIEISA-N -1 3 341.483 2.262 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000593534882 469021358 /nfs/dbraw/zinc/02/13/58/469021358.db2.gz GQMUJASQRGYMMG-ZDUSSCGKSA-N -1 3 347.465 2.425 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000593613297 469059644 /nfs/dbraw/zinc/05/96/44/469059644.db2.gz MNXOFWLTANHNQO-VIFPVBQESA-N -1 3 330.431 2.018 10 30 EEEEHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c(F)c1 ZINC000616415155 469441780 /nfs/dbraw/zinc/44/17/80/469441780.db2.gz AQDSAIKSSZVHOP-UHFFFAOYSA-N -1 3 338.335 2.324 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H](c2nnc3ccccn32)C(C)C)c1[O-] ZINC000726119135 576238685 /nfs/dbraw/zinc/23/86/85/576238685.db2.gz VVZYIDYSTAZBGN-DMOKECBHSA-N -1 3 339.399 2.447 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)[C@H]1CCCO1 ZINC000773060357 577313457 /nfs/dbraw/zinc/31/34/57/577313457.db2.gz ZVGCMPUHRTWRPY-CHWSQXEVSA-N -1 3 331.796 2.247 10 30 EEEEHM Cc1cc(Cl)cc(C=NNc2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000774573606 577404877 /nfs/dbraw/zinc/40/48/77/577404877.db2.gz ALTADIYWVUJIRE-UHFFFAOYSA-N -1 3 339.804 2.447 10 30 EEEEHM O=C1N=C(NN=C(CCCc2ccccc2)c2ccccc2)[N-]C1=O ZINC000765595358 577503676 /nfs/dbraw/zinc/50/36/76/577503676.db2.gz JXPWKZIBKHZWER-UHFFFAOYSA-N -1 3 334.379 2.016 10 30 EEEEHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccc2c[nH]nc2c1 ZINC000755752826 577830514 /nfs/dbraw/zinc/83/05/14/577830514.db2.gz DLPBIZMTWHPAKS-UHFFFAOYSA-N -1 3 328.397 2.059 10 30 EEEEHM COC(=O)c1ccn(CCCC(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000904178157 694321306 /nfs/dbraw/zinc/32/13/06/694321306.db2.gz AAIYARMYDSMXSV-UHFFFAOYSA-N -1 3 335.335 2.007 10 30 EEEEHM CCCCCCN([O-])C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000904205247 694328132 /nfs/dbraw/zinc/32/81/32/694328132.db2.gz CZFOKVZSOBFIEK-UHFFFAOYSA-N -1 3 346.435 2.139 10 30 EEEEHM N#CCN(CCNC(=O)c1cccc2n[n-]nc21)C1CCCCCC1 ZINC001269604427 1184429549 /nfs/dbraw/zinc/42/95/49/1184429549.db2.gz BZBRGMRYFXGHMD-UHFFFAOYSA-N -1 3 340.431 2.236 10 30 EEEEHM C=C(C)C[C@@H](CO)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000883532685 1202083594 /nfs/dbraw/zinc/08/35/94/1202083594.db2.gz XIOJSHDHZFMPKJ-NSHDSACASA-N -1 3 343.221 2.281 10 30 EEEEHM C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001275386932 1205333479 /nfs/dbraw/zinc/33/34/79/1205333479.db2.gz SFCSWRXELWXZDV-KBPBESRZSA-N -1 3 341.386 2.074 10 30 EEEEHM C=CCN1CC[C@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1=O ZINC000924085822 1205933477 /nfs/dbraw/zinc/93/34/77/1205933477.db2.gz UBUQOPGJZGCANZ-NSHDSACASA-N -1 3 335.310 2.444 10 30 EEEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)CCOCC3CC3)cc21 ZINC000901953325 1236705382 /nfs/dbraw/zinc/70/53/82/1236705382.db2.gz AWWUUZGJBGQPAV-UHFFFAOYSA-N -1 3 335.429 2.391 10 30 EEEEHM C=CCC[C@H](C)N1CC2(C1)C[C@@H](NC(=O)c1ccccc1[O-])CO2 ZINC001273676095 1283020973 /nfs/dbraw/zinc/02/09/73/1283020973.db2.gz RHBUUZLPPBQISF-LSDHHAIUSA-N -1 3 330.428 2.320 10 30 EEEEHM C#CCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001488163141 1286878197 /nfs/dbraw/zinc/87/81/97/1286878197.db2.gz AUCFCHBRKOSDLM-LSDHHAIUSA-N -1 3 340.423 2.305 10 30 EEEEHM CC#CCCCC(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001283402436 1326051127 /nfs/dbraw/zinc/05/11/27/1326051127.db2.gz LKCNDXPQSWETLO-UHFFFAOYSA-N -1 3 328.412 2.260 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001284146181 1326434198 /nfs/dbraw/zinc/43/41/98/1326434198.db2.gz TXNPIGGSLDJHJO-UTXMOHQDSA-N -1 3 328.412 2.181 10 30 EEEEHM C=CCOCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC001287924812 1327566230 /nfs/dbraw/zinc/56/62/30/1327566230.db2.gz XFPNNYXXTMVCPT-CABCVRRESA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001345811537 1337468580 /nfs/dbraw/zinc/46/85/80/1337468580.db2.gz IFFDMGKMYNARKT-KUHUBIRLSA-N -1 3 328.412 2.279 10 30 EEEEHM CC(C)(C)C#CC(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358811747 1339103208 /nfs/dbraw/zinc/10/32/08/1339103208.db2.gz LJEPNVCGWPZMAR-FQEVSTJZSA-N -1 3 342.439 2.410 10 30 EEEEHM CCOC(=O)[C@@](C)([N-]C(=O)CC(F)(F)C(F)F)C(F)(F)F ZINC001610908549 1352291659 /nfs/dbraw/zinc/29/16/59/1352291659.db2.gz NAOZARHCXLXYMG-MRVPVSSYSA-N -1 3 327.196 2.277 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN[C@@H]1CC=CC[C@H]1C(F)(F)F)cc2=O ZINC001560090849 1342507385 /nfs/dbraw/zinc/50/73/85/1342507385.db2.gz OBUWZRUOLJMJON-VXGBXAGGSA-N -1 3 337.305 2.293 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H](C)CC2CCCCC2)n1 ZINC001656646391 1354255802 /nfs/dbraw/zinc/25/58/02/1354255802.db2.gz AHYTVOOQUSBRFG-CQSZACIVSA-N -1 3 344.459 2.128 10 30 EEEEHM C=CC[C@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1ccncc1 ZINC001661616506 1354665672 /nfs/dbraw/zinc/66/56/72/1354665672.db2.gz WQKMGRZRYFOQRH-NSHDSACASA-N -1 3 325.415 2.142 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001666763213 1355586950 /nfs/dbraw/zinc/58/69/50/1355586950.db2.gz YENQBHJYXJLXEB-GUYCJALGSA-N -1 3 337.441 2.448 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C(=O)OC ZINC000918791872 769397016 /nfs/dbraw/zinc/39/70/16/769397016.db2.gz BJUBEBZISGPJFZ-ILXRZTDVSA-N -1 3 341.404 2.109 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccccc2Cl)n1 ZINC000816696313 784201990 /nfs/dbraw/zinc/20/19/90/784201990.db2.gz WGFMLFVYTSAVPI-SNVBAGLBSA-N -1 3 337.788 2.183 10 30 EEEEHM CC[C@@H](C(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816696045 784202445 /nfs/dbraw/zinc/20/24/45/784202445.db2.gz QDCVQUOMEOEAIA-VXGBXAGGSA-N -1 3 330.306 2.305 10 30 EEEEHM Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCN([O-])C2=O)c1C(C)C ZINC000820174961 785821846 /nfs/dbraw/zinc/82/18/46/785821846.db2.gz PGUZVPCHTUBXQZ-CQSZACIVSA-N -1 3 342.399 2.024 10 30 EEEEHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901770939 786283118 /nfs/dbraw/zinc/28/31/18/786283118.db2.gz FJAQYJZJNCMIBM-LLVKDONJSA-N -1 3 336.335 2.435 10 30 EEEEHM C=CCn1cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2n1 ZINC001184357733 801980105 /nfs/dbraw/zinc/98/01/05/801980105.db2.gz SCFFKEKTOJLNFT-UHFFFAOYSA-N -1 3 339.311 2.483 10 30 EEEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001463689019 1110378748 /nfs/dbraw/zinc/37/87/48/1110378748.db2.gz AMNGIZKABFWOMO-UHFFFAOYSA-N -1 3 329.393 2.493 10 30 EEEEHM C=CCC1(C(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001506905158 1114963069 /nfs/dbraw/zinc/96/30/69/1114963069.db2.gz UGIOKZLFQWEKCH-HDJSIYSDSA-N -1 3 347.463 2.021 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001527572886 1120822360 /nfs/dbraw/zinc/82/23/60/1120822360.db2.gz NZGYAVXAMMHFHD-XIKOKIGWSA-N -1 3 343.431 2.185 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001542205365 1124111469 /nfs/dbraw/zinc/11/14/69/1124111469.db2.gz ZGHIRNHLKIRSLP-UHFFFAOYSA-N -1 3 340.293 2.469 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000184879153 160019393 /nfs/dbraw/zinc/01/93/93/160019393.db2.gz XZBFTNGNHRGWCB-ZBFHGGJFSA-N -1 3 348.811 2.148 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c(F)c1 ZINC000360256645 164269142 /nfs/dbraw/zinc/26/91/42/164269142.db2.gz HKEWYBPYSJSMJG-HNNXBMFYSA-N -1 3 346.383 2.120 10 30 EEEEHM CCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000490602188 270021014 /nfs/dbraw/zinc/02/10/14/270021014.db2.gz PETGATZWILLZEJ-UHFFFAOYSA-N -1 3 337.376 2.176 10 30 EEEEHM Cc1ccc([O-])c(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000272638600 269002043 /nfs/dbraw/zinc/00/20/43/269002043.db2.gz YYECFYPESPBMKT-INIZCTEOSA-N -1 3 336.395 2.253 10 30 EEEEHM COCC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000563884953 319052045 /nfs/dbraw/zinc/05/20/45/319052045.db2.gz JINFUVBLEWFVGP-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000576207541 320150678 /nfs/dbraw/zinc/15/06/78/320150678.db2.gz PBMJEMSXNDRVJR-QGZVFWFLSA-N -1 3 343.427 2.236 10 30 EEEEHM CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000119041716 462869793 /nfs/dbraw/zinc/86/97/93/462869793.db2.gz XCDUKTFTYPGNJY-HIFRSBDPSA-N -1 3 329.400 2.005 10 30 EEEEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570344 468397186 /nfs/dbraw/zinc/39/71/86/468397186.db2.gz SRGKOYQMWCSOEN-BETUJISGSA-N -1 3 339.436 2.239 10 30 EEEEHM C=CCN(C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC)C1CC1 ZINC000275951958 464792982 /nfs/dbraw/zinc/79/29/82/464792982.db2.gz BRAZDWQWMKCDAB-UHFFFAOYSA-N -1 3 336.413 2.349 10 30 EEEEHM C=CCCc1ccccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000337550029 465428670 /nfs/dbraw/zinc/42/86/70/465428670.db2.gz PAUJTDGDZMZVNK-UHFFFAOYSA-N -1 3 325.368 2.161 10 30 EEEEHM CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2ncccc2[O-])C1 ZINC000331014171 465897995 /nfs/dbraw/zinc/89/79/95/465897995.db2.gz KPVJKQYSTPITRA-CQSZACIVSA-N -1 3 348.447 2.076 10 30 EEEEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)nc1=N ZINC000570100299 468589639 /nfs/dbraw/zinc/58/96/39/468589639.db2.gz MHYSVXCYXSERRQ-CQSZACIVSA-N -1 3 338.415 2.006 10 30 EEEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594790666 468686500 /nfs/dbraw/zinc/68/65/00/468686500.db2.gz WDSFONDOWJYFPQ-WCQYABFASA-N -1 3 325.390 2.403 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000594863237 468711458 /nfs/dbraw/zinc/71/14/58/468711458.db2.gz NKIGYJPNJLZTAR-UHFFFAOYSA-N -1 3 346.408 2.444 10 30 EEEEHM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000595391585 468836343 /nfs/dbraw/zinc/83/63/43/468836343.db2.gz MRWHDPBKORQBFW-ZBFHGGJFSA-N -1 3 336.457 2.154 10 30 EEEEHM COC(=O)C1([N-]S(=O)(=O)c2ccsc2C#N)CCCCCC1 ZINC000593528374 469017577 /nfs/dbraw/zinc/01/75/77/469017577.db2.gz SZTWZGRSCVMOOG-UHFFFAOYSA-N -1 3 342.442 2.164 10 30 EEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)N(C)Cc1ccccc1 ZINC000593541739 469025788 /nfs/dbraw/zinc/02/57/88/469025788.db2.gz NQZXGAMLYDHWSX-ZDUSSCGKSA-N -1 3 349.481 2.419 10 30 EEEEHM Cc1cc(CC[N-]S(=O)(=O)c2ccsc2C#N)cc(C)c1O ZINC000593580998 469046844 /nfs/dbraw/zinc/04/68/44/469046844.db2.gz DZBQZSADDLBBEV-UHFFFAOYSA-N -1 3 336.438 2.463 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000593596078 469052547 /nfs/dbraw/zinc/05/25/47/469052547.db2.gz NQYUFGJDAABGIG-CJNGLKHVSA-N -1 3 348.449 2.064 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000599484734 469273638 /nfs/dbraw/zinc/27/36/38/469273638.db2.gz ZBFVKFOOQRPAAO-AAEUAGOBSA-N -1 3 326.805 2.057 10 30 EEEEHM COc1ccccc1-c1nc(NC(=O)CC2(C#N)CCOCC2)n[n-]1 ZINC000596895532 469400754 /nfs/dbraw/zinc/40/07/54/469400754.db2.gz RNRWPEVUZCPTQM-UHFFFAOYSA-N -1 3 341.371 2.129 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000655634097 471416376 /nfs/dbraw/zinc/41/63/76/471416376.db2.gz DVZKPQUVUQVLOY-UHFFFAOYSA-N -1 3 328.434 2.315 10 30 EEEEHM COC1CCC(C[N-]S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000751487655 577753999 /nfs/dbraw/zinc/75/39/99/577753999.db2.gz CWQMJAARPJFCIW-UHFFFAOYSA-N -1 3 326.393 2.181 10 30 EEEEHM COc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000756234629 577840740 /nfs/dbraw/zinc/84/07/40/577840740.db2.gz MZWPZQUJVFGOMA-CYBMUJFWSA-N -1 3 339.351 2.368 10 30 EEEEHM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)N([O-])Cc1ccc(F)cc1 ZINC000904178700 694312628 /nfs/dbraw/zinc/31/26/28/694312628.db2.gz RPCBBWRMNAJOJY-HUUCEWRRSA-N -1 3 339.363 2.244 10 30 EEEEHM CCCCN([O-])C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 ZINC000904216056 694328818 /nfs/dbraw/zinc/32/88/18/694328818.db2.gz WFHFRXRQEHHILV-INIZCTEOSA-N -1 3 330.425 2.326 10 30 EEEEHM C=C(Cl)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)OCC ZINC000870034280 1200422076 /nfs/dbraw/zinc/42/20/76/1200422076.db2.gz AUEIQCGRAADCQM-GFCCVEGCSA-N -1 3 329.755 2.264 10 30 EEEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867536076 1201629830 /nfs/dbraw/zinc/62/98/30/1201629830.db2.gz MOXMWPHUQPQZRY-UHFFFAOYSA-N -1 3 336.255 2.206 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(ccnc2Cl)s1 ZINC000868563332 1201836030 /nfs/dbraw/zinc/83/60/30/1201836030.db2.gz QWLXPGZMIODWOR-QMMMGPOBSA-N -1 3 325.777 2.060 10 30 EEEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000882848883 1201956658 /nfs/dbraw/zinc/95/66/58/1201956658.db2.gz UCPLECYTJWQCGB-JTQLQIEISA-N -1 3 341.326 2.450 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@H]([C@H]3CCCCO3)C1)cc2=O ZINC001413036893 1216974493 /nfs/dbraw/zinc/97/44/93/1216974493.db2.gz UGYNVTQMDZAICJ-XJKSGUPXSA-N -1 3 341.415 2.088 10 30 EEEEHM C[C@H](CNC(=O)c1ccccc1[O-])NCc1cc(F)ccc1C#N ZINC001491398203 1259041021 /nfs/dbraw/zinc/04/10/21/1259041021.db2.gz WLANCJSTQTVLMP-GFCCVEGCSA-N -1 3 327.359 2.311 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(C)(C)C ZINC001190909480 1281145332 /nfs/dbraw/zinc/14/53/32/1281145332.db2.gz HVKIXLSUOJKVSH-SNVBAGLBSA-N -1 3 327.793 2.202 10 30 EEEEHM C#C[C@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001120753220 1309729097 /nfs/dbraw/zinc/72/90/97/1309729097.db2.gz JPQSNJIYEWSMSV-NSHDSACASA-N -1 3 340.832 2.197 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856199421 1293441138 /nfs/dbraw/zinc/44/11/38/1293441138.db2.gz YFEKRLBGWIBFCF-BETUJISGSA-N -1 3 336.413 2.087 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(C#N)cc2)c1 ZINC001166517462 1321733032 /nfs/dbraw/zinc/73/30/32/1321733032.db2.gz CODNEKUWSBEEBW-UHFFFAOYSA-N -1 3 335.363 2.361 10 30 EEEEHM C=CC(C)(C)C(=O)N(C)CCN(C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001288179108 1327654207 /nfs/dbraw/zinc/65/42/07/1327654207.db2.gz XSKFNWAVIFSZSE-UHFFFAOYSA-N -1 3 348.447 2.012 10 30 EEEEHM CC[C@@H]1CN(C(=O)C#CC(C)C)CC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298955602 1330137360 /nfs/dbraw/zinc/13/73/60/1330137360.db2.gz BOZOYJWNXHFIDF-NVXWUHKLSA-N -1 3 342.439 2.409 10 30 EEEEHM C=CCO[C@@H]1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC001320056551 1332817025 /nfs/dbraw/zinc/81/70/25/1332817025.db2.gz CXDWZMGPPYQZSX-CQSZACIVSA-N -1 3 329.400 2.012 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001340595584 1337212137 /nfs/dbraw/zinc/21/21/37/1337212137.db2.gz ZWVKFWUZUMGLQB-GHMZBOCLSA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001340595584 1337212134 /nfs/dbraw/zinc/21/21/34/1337212134.db2.gz ZWVKFWUZUMGLQB-GHMZBOCLSA-N -1 3 349.826 2.050 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@H](OC3CCC3)CC1)cc2=O ZINC001434483155 1341854393 /nfs/dbraw/zinc/85/43/93/1341854393.db2.gz HCTSYHKLEGLOKK-INIZCTEOSA-N -1 3 341.415 2.230 10 30 EEEEHM Cn1ncc2c1nc(SCc1c(C#N)cccc1[N+](=O)[O-])[n-]c2=O ZINC001559440074 1342503756 /nfs/dbraw/zinc/50/37/56/1342503756.db2.gz BLAGIOFKMBYKAH-UHFFFAOYSA-N -1 3 342.340 2.141 10 30 EEEEHM C#CCCCC(=O)N[C@@]12CCC[C@@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572419009 1343486423 /nfs/dbraw/zinc/48/64/23/1343486423.db2.gz RIKVSUMGHWLVMY-FXAWDEMLSA-N -1 3 340.423 2.449 10 30 EEEEHM C/C(=C/C(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820179537 785825497 /nfs/dbraw/zinc/82/54/97/785825497.db2.gz MDPRZRJSRDYZIO-ZVTBTPLYSA-N -1 3 328.290 2.215 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000908991052 785920576 /nfs/dbraw/zinc/92/05/76/785920576.db2.gz WNTJBPZHUBRESF-GOEBONIOSA-N -1 3 333.432 2.226 10 30 EEEEHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cn2c(n1)CCCC2 ZINC000807974512 812414437 /nfs/dbraw/zinc/41/44/37/812414437.db2.gz JQVGQBDYGQLQRC-UHFFFAOYSA-N -1 3 346.456 2.106 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001500483732 1112873566 /nfs/dbraw/zinc/87/35/66/1112873566.db2.gz HSVFHEFWNMYTDR-UGSOOPFHSA-N -1 3 348.447 2.045 10 30 EEEEHM CC#CCCCC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001508405834 1115509342 /nfs/dbraw/zinc/50/93/42/1115509342.db2.gz AIMBLVZVKDTVIG-UHFFFAOYSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCCC(=O)N(C)CC[C@H](NC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001509221485 1115760828 /nfs/dbraw/zinc/76/08/28/1115760828.db2.gz WVNQQSNBPSBCRZ-AWEZNQCLSA-N -1 3 348.447 2.060 10 30 EEEEHM C=CCN(CCc1ccco1)c1nnc(-c2nnc(Cl)[n-]2)n1C ZINC001519445038 1119079862 /nfs/dbraw/zinc/07/98/62/1119079862.db2.gz AVGRCVPRLSDYNG-UHFFFAOYSA-N -1 3 333.783 2.082 10 30 EEEEHM C=CCN(CCc1ccco1)c1nnc(-c2n[n-]c(Cl)n2)n1C ZINC001519445038 1119079867 /nfs/dbraw/zinc/07/98/67/1119079867.db2.gz AVGRCVPRLSDYNG-UHFFFAOYSA-N -1 3 333.783 2.082 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000428392041 299331082 /nfs/dbraw/zinc/33/10/82/299331082.db2.gz SFTBYIBHVNLHIP-PEBVRCNWSA-N -1 3 343.408 2.185 10 30 EEEEHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)OC ZINC000451684127 243204187 /nfs/dbraw/zinc/20/41/87/243204187.db2.gz WRXGXYUAZSLCGF-ABAIWWIYSA-N -1 3 328.409 2.178 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000264361128 246402709 /nfs/dbraw/zinc/40/27/09/246402709.db2.gz GMRGGXXNIDYXSU-JTQLQIEISA-N -1 3 334.319 2.034 10 30 EEEEHM COc1cc(C(=O)NCCOc2ccc(C#N)cc2)cc(OC)c1[O-] ZINC000343493957 161141213 /nfs/dbraw/zinc/14/12/13/161141213.db2.gz KYMVIFLNEILJRI-UHFFFAOYSA-N -1 3 342.351 2.090 10 30 EEEEHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccn1 ZINC000360243670 164266171 /nfs/dbraw/zinc/26/61/71/164266171.db2.gz WYPPRHLYANJNOH-UHFFFAOYSA-N -1 3 336.804 2.473 10 30 EEEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489208015 270020873 /nfs/dbraw/zinc/02/08/73/270020873.db2.gz QBMWARZFYJFOHN-INIZCTEOSA-N -1 3 343.408 2.291 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443908278 268067662 /nfs/dbraw/zinc/06/76/62/268067662.db2.gz OJUGLLQBSSIJQO-CQSZACIVSA-N -1 3 336.438 2.249 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000328879197 465155195 /nfs/dbraw/zinc/15/51/95/465155195.db2.gz VBSRKABEPWCPSB-YOEHRIQHSA-N -1 3 343.427 2.236 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c(Cl)c1 ZINC000351579733 465233768 /nfs/dbraw/zinc/23/37/68/465233768.db2.gz IREXVRVTYICLJA-GFCCVEGCSA-N -1 3 342.829 2.285 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(C)C)ccc1F ZINC000045296440 462574317 /nfs/dbraw/zinc/57/43/17/462574317.db2.gz UJPSTACKCMGBHF-NSHDSACASA-N -1 3 328.409 2.064 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2F)c(F)c1 ZINC000105621300 463457673 /nfs/dbraw/zinc/45/76/73/463457673.db2.gz GFKBIXVKXPBYAR-UHFFFAOYSA-N -1 3 326.299 2.454 10 30 EEEEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185543916 463842415 /nfs/dbraw/zinc/84/24/15/463842415.db2.gz IZWDJKRDZQCAPN-JTQLQIEISA-N -1 3 344.820 2.222 10 30 EEEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000287431701 463897101 /nfs/dbraw/zinc/89/71/01/463897101.db2.gz QBGHDHPQNXUIAG-UHFFFAOYSA-N -1 3 331.800 2.482 10 30 EEEEHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000180857204 464408544 /nfs/dbraw/zinc/40/85/44/464408544.db2.gz WDDXUHARCLIPNO-LBPRGKRZSA-N -1 3 331.459 2.113 10 30 EEEEHM CN(C)c1nc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc(=O)[n-]1 ZINC000330435550 465660161 /nfs/dbraw/zinc/66/01/61/465660161.db2.gz QQXJLPVPTSWNIC-SMDDNHRTSA-N -1 3 336.436 2.394 10 30 EEEEHM N#CC(=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccncn1 ZINC000354473311 466593001 /nfs/dbraw/zinc/59/30/01/466593001.db2.gz VQOJVLYYSQAXKW-ZBFHGGJFSA-N -1 3 336.351 2.084 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)OCC1CC1 ZINC000416600739 466743576 /nfs/dbraw/zinc/74/35/76/466743576.db2.gz RDGVYLLJAGHCKQ-UHFFFAOYSA-N -1 3 340.420 2.322 10 30 EEEEHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3)nc1-2 ZINC000429569234 467348651 /nfs/dbraw/zinc/34/86/51/467348651.db2.gz QKMCXLJMRJWMLY-CQSZACIVSA-N -1 3 343.350 2.337 10 30 EEEEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435444977 467470177 /nfs/dbraw/zinc/47/01/77/467470177.db2.gz BURORHKQVOFJSQ-TXEJJXNPSA-N -1 3 327.475 2.161 10 30 EEEEHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000556335258 468522604 /nfs/dbraw/zinc/52/26/04/468522604.db2.gz LIPGIXRJEQANTM-DZGCQCFKSA-N -1 3 340.420 2.427 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c(F)c1 ZINC000594472334 468598763 /nfs/dbraw/zinc/59/87/63/468598763.db2.gz AAZQSYQCWOCNNE-GDBMZVCRSA-N -1 3 338.404 2.323 10 30 EEEEHM C[C@@]1(c2ccc(-c3noc(CCCCC#N)n3)cc2)NC(=O)[N-]C1=O ZINC000594533049 468616476 /nfs/dbraw/zinc/61/64/76/468616476.db2.gz XMCQLNABCSVVLT-KRWDZBQOSA-N -1 3 339.355 2.028 10 30 EEEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000557844951 468656257 /nfs/dbraw/zinc/65/62/57/468656257.db2.gz UOSVKZGRTXTQLP-JOYOIKCWSA-N -1 3 341.230 2.398 10 30 EEEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000595353011 468822384 /nfs/dbraw/zinc/82/23/84/468822384.db2.gz HGACJBLYUHTNGY-JKSUJKDBSA-N -1 3 334.397 2.188 10 30 EEEEHM CC1(C)CCC(O)(C[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000595354875 468823328 /nfs/dbraw/zinc/82/33/28/468823328.db2.gz YEYGWZIQCBSARC-UHFFFAOYSA-N -1 3 328.459 2.229 10 30 EEEEHM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000595396121 468838792 /nfs/dbraw/zinc/83/87/92/468838792.db2.gz XZTBLYQCZWMMFT-YPMHNXCESA-N -1 3 336.438 2.063 10 30 EEEEHM CC1CCC(O)(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000595409205 468841514 /nfs/dbraw/zinc/84/15/14/468841514.db2.gz BKPXXWVQHXELTB-UHFFFAOYSA-N -1 3 340.420 2.058 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](O)CC12CCC2 ZINC000598743652 468982864 /nfs/dbraw/zinc/98/28/64/468982864.db2.gz BYWMRIGHHYUPSK-AWEZNQCLSA-N -1 3 343.427 2.114 10 30 EEEEHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccsc1 ZINC000593528697 469018862 /nfs/dbraw/zinc/01/88/62/469018862.db2.gz FGKSSBXXMFMELN-LLVKDONJSA-N -1 3 341.483 2.262 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000593589143 469048905 /nfs/dbraw/zinc/04/89/05/469048905.db2.gz SDMFYXAOMLXHCW-GFCCVEGCSA-N -1 3 334.422 2.161 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612370246 469448810 /nfs/dbraw/zinc/44/88/10/469448810.db2.gz YEJRIZVBBLSMPO-GOSISDBHSA-N -1 3 339.399 2.317 10 30 EEEEHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)OC ZINC000451684129 535948657 /nfs/dbraw/zinc/94/86/57/535948657.db2.gz WRXGXYUAZSLCGF-NHYWBVRUSA-N -1 3 328.409 2.178 10 30 EEEEHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000773989764 577377111 /nfs/dbraw/zinc/37/71/11/577377111.db2.gz QWBWSNDYOPUKDY-UKRRQHHQSA-N -1 3 349.394 2.284 10 30 EEEEHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1S(C)(=O)=O ZINC000759033994 577635980 /nfs/dbraw/zinc/63/59/80/577635980.db2.gz BTUIDNOXIDFYSQ-UHFFFAOYSA-N -1 3 334.397 2.050 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000905002870 694498748 /nfs/dbraw/zinc/49/87/48/694498748.db2.gz SLYFHERLFOHJMZ-PDOPGVMGSA-N -1 3 349.431 2.262 10 30 EEEEHM C#CCCCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001746788173 1178776026 /nfs/dbraw/zinc/77/60/26/1178776026.db2.gz YBPJHHZRQVAHDN-MRXNPFEDSA-N -1 3 330.428 2.456 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OCC ZINC000882645150 1201913046 /nfs/dbraw/zinc/91/30/46/1201913046.db2.gz WMCSTVNFWFUFTN-CQSZACIVSA-N -1 3 329.393 2.143 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001299506484 1205311040 /nfs/dbraw/zinc/31/10/40/1205311040.db2.gz YAAPRVBGYCYMKZ-LIRRHRJNSA-N -1 3 346.427 2.094 10 30 EEEEHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(Cl)n1 ZINC000113654292 1225242020 /nfs/dbraw/zinc/24/20/20/1225242020.db2.gz FWUGRFAQAOHXDF-NSHDSACASA-N -1 3 343.774 2.157 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001488256774 1287116532 /nfs/dbraw/zinc/11/65/32/1287116532.db2.gz CJBGHMYFVZWVGW-GDBMZVCRSA-N -1 3 328.412 2.161 10 30 EEEEHM CCOC(=O)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccncc1 ZINC000840709664 1315401415 /nfs/dbraw/zinc/40/14/15/1315401415.db2.gz KWRVSPADLKVYJQ-QZPXRHMKSA-N -1 3 343.383 2.096 10 30 EEEEHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc[nH]c2C)C1=O ZINC001156413506 1318000743 /nfs/dbraw/zinc/00/07/43/1318000743.db2.gz DBDDKWCTIDUPGV-MRXNPFEDSA-N -1 3 335.408 2.034 10 30 EEEEHM O=C(Cn1nc2ccccn2c1=O)N([O-])Cc1cccc2ccccc21 ZINC001161842964 1320643509 /nfs/dbraw/zinc/64/35/09/1320643509.db2.gz VPEOTLGGLIWKIY-UHFFFAOYSA-N -1 3 348.362 2.067 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001284856491 1326746675 /nfs/dbraw/zinc/74/66/75/1326746675.db2.gz BAZKROOPYJYFDV-GJZGRUSLSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001491926878 1330316705 /nfs/dbraw/zinc/31/67/05/1330316705.db2.gz WFXBAZSGZVYMPK-CABCVRRESA-N -1 3 346.427 2.046 10 30 EEEEHM C=C(C)CCC(=O)NC1CCC(N(C)C(=O)c2cnc[n-]c2=O)CC1 ZINC001333978295 1336186535 /nfs/dbraw/zinc/18/65/35/1336186535.db2.gz WFXLTMFNVUJZAF-UHFFFAOYSA-N -1 3 346.431 2.038 10 30 EEEEHM CCCCN([O-])C(=O)c1nnn(CCOc2ccc(F)cc2)c1C ZINC001559035342 1342496150 /nfs/dbraw/zinc/49/61/50/1342496150.db2.gz MOYSXKIVKPELAE-UHFFFAOYSA-N -1 3 336.367 2.436 10 30 EEEEHM C=CCCC1(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC001577884035 1344210106 /nfs/dbraw/zinc/21/01/06/1344210106.db2.gz SZXPDTUIZGVPSA-AWEZNQCLSA-N -1 3 328.412 2.469 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Oc2ccccc2)ccc1O ZINC001625082335 1352439831 /nfs/dbraw/zinc/43/98/31/1352439831.db2.gz FTKUTYINEIPFBH-HNNXBMFYSA-N -1 3 342.351 2.295 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(C2SCCCS2)cc1 ZINC000816690559 784196797 /nfs/dbraw/zinc/19/67/97/784196797.db2.gz VUCRHQBFXMSBJQ-GFCCVEGCSA-N -1 3 338.454 2.275 10 30 EEEEHM COc1cccc(Nc2ccccc2C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000820185309 785828349 /nfs/dbraw/zinc/82/83/49/785828349.db2.gz MMKBMRNJBUFWKE-MRXNPFEDSA-N -1 3 341.367 2.159 10 30 EEEEHM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000912260617 788068716 /nfs/dbraw/zinc/06/87/16/788068716.db2.gz RHQURXUMXZLUBB-HNNXBMFYSA-N -1 3 337.379 2.320 10 30 EEEEHM C#CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000844000013 788794862 /nfs/dbraw/zinc/79/48/62/788794862.db2.gz TTYSMDVAIASUKR-RDJZCZTQSA-N -1 3 340.423 2.259 10 30 EEEEHM Cc1ncc(CO)c(/C=N/C2CCN(c3ccccn3)CC2)c1[O-] ZINC000915978997 797465088 /nfs/dbraw/zinc/46/50/88/797465088.db2.gz LMUVVVUSWNEYBB-SRZZPIQSSA-N -1 3 326.400 2.071 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001175030110 797970564 /nfs/dbraw/zinc/97/05/64/797970564.db2.gz OCKSRUMDDFHUDK-INIZCTEOSA-N -1 3 347.374 2.286 10 30 EEEEHM N#Cc1ccc(C2(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)CC2)cc1 ZINC001450922810 1095466125 /nfs/dbraw/zinc/46/61/25/1095466125.db2.gz WBQSQNRSJXDBEJ-UHFFFAOYSA-N -1 3 344.378 2.332 10 30 EEEEHM N#Cc1ccc(C2(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)CC2)cc1 ZINC001450922810 1095466128 /nfs/dbraw/zinc/46/61/28/1095466128.db2.gz WBQSQNRSJXDBEJ-UHFFFAOYSA-N -1 3 344.378 2.332 10 30 EEEEHM C=CCOCC(=O)N1CCCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001521177872 1119219095 /nfs/dbraw/zinc/21/90/95/1119219095.db2.gz ZARDJKUUVYLUHJ-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM O=C(CC#Cc1ccccc1)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001523006673 1119594127 /nfs/dbraw/zinc/59/41/27/1119594127.db2.gz OJONICVFBXLSRE-QGZVFWFLSA-N -1 3 348.402 2.165 10 30 EEEEHM C[C@H](CNC(=O)c1ccccc1[O-])NC(=O)CC#Cc1ccccc1 ZINC001526402412 1120513243 /nfs/dbraw/zinc/51/32/43/1120513243.db2.gz PWPXSVXTNYWKBO-OAHLLOKOSA-N -1 3 336.391 2.069 10 30 EEEEHM CC(C)(C)C#CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001533075868 1123064132 /nfs/dbraw/zinc/06/41/32/1123064132.db2.gz RTDYDMSHGWOLQY-GOEBONIOSA-N -1 3 342.439 2.456 10 30 EEEEHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)sc1C ZINC000451265369 243056876 /nfs/dbraw/zinc/05/68/76/243056876.db2.gz WZNIGSFTTGVADF-UHFFFAOYSA-N -1 3 339.417 2.390 10 30 EEEEHM O=S(=O)([N-]Cc1ccc(C#CCO)cc1)c1ccc(Cl)s1 ZINC000049590655 214021774 /nfs/dbraw/zinc/02/17/74/214021774.db2.gz NCHVVEXTHWJIKV-UHFFFAOYSA-N -1 3 341.841 2.224 10 30 EEEEHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C#N)n2C)[n-]1 ZINC000410754270 266039936 /nfs/dbraw/zinc/03/99/36/266039936.db2.gz NGFZFOPATRWMRM-UHFFFAOYSA-N -1 3 343.387 2.391 10 30 EEEEHM CCCCc1nc(NC(=O)c2ccc(C#N)n2C)c(C(=O)OCC)[n-]1 ZINC000410754270 266039938 /nfs/dbraw/zinc/03/99/38/266039938.db2.gz NGFZFOPATRWMRM-UHFFFAOYSA-N -1 3 343.387 2.391 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489593642 268067441 /nfs/dbraw/zinc/06/74/41/268067441.db2.gz PVJBBGWJICLFON-CYBMUJFWSA-N -1 3 340.401 2.079 10 30 EEEEHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177996349 278975063 /nfs/dbraw/zinc/97/50/63/278975063.db2.gz WSWFZMGTJCZIGV-ZDUSSCGKSA-N -1 3 343.880 2.466 10 30 EEEEHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nnc2n1CCCC2 ZINC000328653332 465089711 /nfs/dbraw/zinc/08/97/11/465089711.db2.gz LBFNXEBWBOVMGP-QMMMGPOBSA-N -1 3 329.339 2.091 10 30 EEEEHM C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nnc2n1CCCC2 ZINC000328653332 465089717 /nfs/dbraw/zinc/08/97/17/465089717.db2.gz LBFNXEBWBOVMGP-QMMMGPOBSA-N -1 3 329.339 2.091 10 30 EEEEHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nnc2n1CCCC2 ZINC000328653332 465089723 /nfs/dbraw/zinc/08/97/23/465089723.db2.gz LBFNXEBWBOVMGP-QMMMGPOBSA-N -1 3 329.339 2.091 10 30 EEEEHM CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000071915430 463471910 /nfs/dbraw/zinc/47/19/10/463471910.db2.gz FYEOLGUVCCCWBF-JKSUJKDBSA-N -1 3 345.443 2.116 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000186662339 464043351 /nfs/dbraw/zinc/04/33/51/464043351.db2.gz PHNDLCKOIJBTCB-SECBINFHSA-N -1 3 327.299 2.060 10 30 EEEEHM Cc1csc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)n1 ZINC000357381310 465991194 /nfs/dbraw/zinc/99/11/94/465991194.db2.gz BIFWDGUIGDHOIO-UHFFFAOYSA-N -1 3 325.390 2.082 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000362785876 466025789 /nfs/dbraw/zinc/02/57/89/466025789.db2.gz PUNGUYSVMLFRDY-FZMZJTMJSA-N -1 3 329.356 2.269 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000362785876 466025791 /nfs/dbraw/zinc/02/57/91/466025791.db2.gz PUNGUYSVMLFRDY-FZMZJTMJSA-N -1 3 329.356 2.269 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000580659523 468481455 /nfs/dbraw/zinc/48/14/55/468481455.db2.gz QBVOZKZGJXASDE-UHFFFAOYSA-N -1 3 331.459 2.115 10 30 EEEEHM N#Cc1ccc(OCCCN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000373831391 466934866 /nfs/dbraw/zinc/93/48/66/466934866.db2.gz MFRCCEMMJOZGKW-UHFFFAOYSA-N -1 3 327.388 2.030 10 30 EEEEHM Cn1cc(C#N)cc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000378045780 467186246 /nfs/dbraw/zinc/18/62/46/467186246.db2.gz ULQVQDZXXQHFQX-UHFFFAOYSA-N -1 3 328.282 2.212 10 30 EEEEHM Cn1cc(C#N)cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000378045780 467186250 /nfs/dbraw/zinc/18/62/50/467186250.db2.gz ULQVQDZXXQHFQX-UHFFFAOYSA-N -1 3 328.282 2.212 10 30 EEEEHM Cn1cc(C#N)cc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000378045780 467186251 /nfs/dbraw/zinc/18/62/51/467186251.db2.gz ULQVQDZXXQHFQX-UHFFFAOYSA-N -1 3 328.282 2.212 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OCC ZINC000452001888 467300078 /nfs/dbraw/zinc/30/00/78/467300078.db2.gz XKCINCNPRSBQSY-OAHLLOKOSA-N -1 3 341.429 2.013 10 30 EEEEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000420729254 467465585 /nfs/dbraw/zinc/46/55/85/467465585.db2.gz QJVLFBMHZKHQIG-MNOVXSKESA-N -1 3 328.821 2.448 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1CCCCO1 ZINC000594489387 468607053 /nfs/dbraw/zinc/60/70/53/468607053.db2.gz ZZUNVYQJKKUDNQ-KBPBESRZSA-N -1 3 326.393 2.323 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1[C@@H]2COC[C@@H]21 ZINC000594772770 468681164 /nfs/dbraw/zinc/68/11/64/468681164.db2.gz MZIYLAQQPBHOQX-IMRBUKKESA-N -1 3 334.422 2.005 10 30 EEEEHM COc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)cc1OC ZINC000593622134 469063437 /nfs/dbraw/zinc/06/34/37/469063437.db2.gz XOAVFZYNPPWWAN-UHFFFAOYSA-N -1 3 342.392 2.205 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599363576 469228902 /nfs/dbraw/zinc/22/89/02/469228902.db2.gz RQRQCFFMFNHIBN-UTUOFQBUSA-N -1 3 335.385 2.181 10 30 EEEEHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc(C#N)ccc2C)C2CC2)no1 ZINC000574112265 469261741 /nfs/dbraw/zinc/26/17/41/469261741.db2.gz DBAXFLJKLJVCER-INIZCTEOSA-N -1 3 346.412 2.162 10 30 EEEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000617039358 469581071 /nfs/dbraw/zinc/58/10/71/469581071.db2.gz GJZJOAAPNVXTKC-GXTWGEPZSA-N -1 3 340.445 2.361 10 30 EEEEHM C=CC[C@@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000626560429 469647266 /nfs/dbraw/zinc/64/72/66/469647266.db2.gz SPLWAZTZAVQBAW-LLVKDONJSA-N -1 3 341.408 2.164 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000625327871 470119970 /nfs/dbraw/zinc/11/99/70/470119970.db2.gz MPYQETFMKOELTJ-UHFFFAOYSA-N -1 3 349.449 2.110 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651641336 471069244 /nfs/dbraw/zinc/06/92/44/471069244.db2.gz OCRJJALRIAQXNO-MRVPVSSYSA-N -1 3 340.264 2.034 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000679474498 485706834 /nfs/dbraw/zinc/70/68/34/485706834.db2.gz JSLNFJCYLFPUIR-UHFFFAOYSA-N -1 3 327.299 2.325 10 30 EEEEHM COc1cccc([O-])c1/C=N\Cc1cccc(N2CCOCC2)n1 ZINC000773905242 577372534 /nfs/dbraw/zinc/37/25/34/577372534.db2.gz JZECWVDFDSNBNR-UYRXBGFRSA-N -1 3 327.384 2.252 10 30 EEEEHM C[C@H]1CCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000773989765 577377030 /nfs/dbraw/zinc/37/70/30/577377030.db2.gz QWBWSNDYOPUKDY-ZFWWWQNUSA-N -1 3 349.394 2.284 10 30 EEEEHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1=COCCC1 ZINC000759243124 577639686 /nfs/dbraw/zinc/63/96/86/577639686.db2.gz RXKHZMASAPLZEK-ZDUSSCGKSA-N -1 3 344.367 2.394 10 30 EEEEHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C1=COCCC1 ZINC000759243124 577639687 /nfs/dbraw/zinc/63/96/87/577639687.db2.gz RXKHZMASAPLZEK-ZDUSSCGKSA-N -1 3 344.367 2.394 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(C(=O)C3CCCCC3)C2)c1[O-] ZINC000760213603 577658860 /nfs/dbraw/zinc/65/88/60/577658860.db2.gz RKUNRSGQDJJRPO-CTJICSLTSA-N -1 3 345.443 2.188 10 30 EEEEHM C=CCC1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1 ZINC000895230198 684312525 /nfs/dbraw/zinc/31/25/25/684312525.db2.gz AALCOTQETMFKER-AWEZNQCLSA-N -1 3 345.447 2.197 10 30 EEEEHM NC(=O)c1ccccc1NCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197532 694326755 /nfs/dbraw/zinc/32/67/55/694326755.db2.gz GLWOXOIQQMGKPX-UHFFFAOYSA-N -1 3 341.411 2.438 10 30 EEEEHM O=C(C[C@@H]1CCCS(=O)(=O)C1)N([O-])CCCCc1ccccc1 ZINC000904196575 694325918 /nfs/dbraw/zinc/32/59/18/694325918.db2.gz YNIZCGIAYMMOOW-INIZCTEOSA-N -1 3 339.457 2.442 10 30 EEEEHM CC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)N(CC)CC ZINC000778724874 1208332615 /nfs/dbraw/zinc/33/26/15/1208332615.db2.gz WMGCWTUQZHNBJG-CQSZACIVSA-N -1 3 343.493 2.027 10 30 EEEEHM C#Cc1ccc([N-]S(=O)(=O)N=S(=O)(CC)CC)c(Cl)c1 ZINC000901962395 1236727690 /nfs/dbraw/zinc/72/76/90/1236727690.db2.gz GWFPIYSZXKETGU-UHFFFAOYSA-N -1 3 334.850 2.486 10 30 EEEEHM C=CC(C)(C)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)C)n1 ZINC001489973783 1290885999 /nfs/dbraw/zinc/88/59/99/1290885999.db2.gz HBIOKNHBIBJMBQ-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM N#C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CCN1C1CC1 ZINC000857121725 1293725087 /nfs/dbraw/zinc/72/50/87/1293725087.db2.gz CXRZSDMJMZECMJ-CYBMUJFWSA-N -1 3 339.317 2.223 10 30 EEEEHM C=C(C)CCC(=O)NC[C@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC001265779603 1323376745 /nfs/dbraw/zinc/37/67/45/1323376745.db2.gz MPDLYMVAUCSALA-NSHDSACASA-N -1 3 334.445 2.348 10 30 EEEEHM C=CCOCC(=O)NCCC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001284469727 1326568862 /nfs/dbraw/zinc/56/88/62/1326568862.db2.gz FUDBCAKDFHTVOC-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCn1cccc1C(=O)N(CC)CCNC(=O)c1ccccc1[O-] ZINC001284602020 1326625900 /nfs/dbraw/zinc/62/59/00/1326625900.db2.gz WEXIGKXNBJBWOV-UHFFFAOYSA-N -1 3 341.411 2.272 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNC(=O)[C@@H](C)C(C)(C)C)cc(=O)[n-]1 ZINC001290364582 1328182628 /nfs/dbraw/zinc/18/26/28/1328182628.db2.gz SQJKFKHCGQTVRA-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM CCCCCCN([O-])C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001611655851 1352303219 /nfs/dbraw/zinc/30/32/19/1352303219.db2.gz UXIYZQAHLGIERF-UHFFFAOYSA-N -1 3 328.434 2.071 10 30 EEEEHM O=C(/C=C/c1ccc(F)c2ccccc12)N[C@H]1CCCN([O-])C1=O ZINC001569676774 1342922660 /nfs/dbraw/zinc/92/26/60/1342922660.db2.gz YKWUARBYLVMNJO-DZZUKKPASA-N -1 3 328.343 2.489 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(CCNC(=O)c1ccccc1[O-])CCOC ZINC001572535741 1343508474 /nfs/dbraw/zinc/50/84/74/1343508474.db2.gz RQAGACYJHNHDEI-UHFFFAOYSA-N -1 3 348.443 2.199 10 30 EEEEHM N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)on2)c1 ZINC001639639534 1352700070 /nfs/dbraw/zinc/70/00/70/1352700070.db2.gz FIPZWBPPZOMFTL-CYBMUJFWSA-N -1 3 349.350 2.272 10 30 EEEEHM C=CCCOCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001681040913 1357945180 /nfs/dbraw/zinc/94/51/80/1357945180.db2.gz KDBNFEAIESKTHF-MRXNPFEDSA-N -1 3 348.443 2.246 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001681468883 1358007722 /nfs/dbraw/zinc/00/77/22/1358007722.db2.gz VKXFIRRWLUPQSL-LSDHHAIUSA-N -1 3 328.412 2.161 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001684048986 1358215184 /nfs/dbraw/zinc/21/51/84/1358215184.db2.gz NMYMWMUMWAIZPY-OAHLLOKOSA-N -1 3 328.412 2.259 10 30 EEEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC000921318173 773263198 /nfs/dbraw/zinc/26/31/98/773263198.db2.gz QOLWFIBPJRAHET-TZMCWYRMSA-N -1 3 326.393 2.317 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000921382744 773318629 /nfs/dbraw/zinc/31/86/29/773318629.db2.gz IURDAQQNPAYXJQ-NWDGAFQWSA-N -1 3 339.404 2.239 10 30 EEEEHM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000845859738 789967474 /nfs/dbraw/zinc/96/74/74/789967474.db2.gz PMCXCPGTSYODFL-GFCCVEGCSA-N -1 3 334.426 2.074 10 30 EEEEHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C)n2)cc1Cl ZINC000917520765 798253359 /nfs/dbraw/zinc/25/33/59/798253359.db2.gz PUEPSEASIANJFH-LLVKDONJSA-N -1 3 346.774 2.352 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CCC1 ZINC000922043995 798745520 /nfs/dbraw/zinc/74/55/20/798745520.db2.gz ISLSBNRLBGPYQJ-UHFFFAOYSA-N -1 3 341.816 2.351 10 30 EEEEHM C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494369799 1103949981 /nfs/dbraw/zinc/94/99/81/1103949981.db2.gz YOXSUBNMLZHPFB-GOEBONIOSA-N -1 3 340.423 2.163 10 30 EEEEHM C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001464637791 1110399219 /nfs/dbraw/zinc/39/92/19/1110399219.db2.gz FCSRYJTZYXMBCM-UHFFFAOYSA-N -1 3 336.347 2.210 10 30 EEEEHM C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001510675812 1117854692 /nfs/dbraw/zinc/85/46/92/1117854692.db2.gz VHJGRHNZXWUNPM-AUUYWEPGSA-N -1 3 348.443 2.198 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000451736764 243237206 /nfs/dbraw/zinc/23/72/06/243237206.db2.gz LUKKYBSIYCUQBA-UHFFFAOYSA-N -1 3 332.784 2.009 10 30 EEEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000121085344 292260844 /nfs/dbraw/zinc/26/08/44/292260844.db2.gz MYPWHFSBKWWQPV-OAHLLOKOSA-N -1 3 328.409 2.163 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1COc2ccccc21 ZINC000194865188 160201778 /nfs/dbraw/zinc/20/17/78/160201778.db2.gz WIHWBIFFOFZJCK-INIZCTEOSA-N -1 3 337.379 2.046 10 30 EEEEHM COc1cc(CNC(=O)c2c[n-]c3ccccc3c2=O)ccc1C#N ZINC000358994504 164032353 /nfs/dbraw/zinc/03/23/53/164032353.db2.gz SXELMUACUWQMLT-UHFFFAOYSA-N -1 3 333.347 2.338 10 30 EEEEHM CC1(C)C[C@@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C(C)(C)O1 ZINC000360023742 164217836 /nfs/dbraw/zinc/21/78/36/164217836.db2.gz LNOKGNFIRMNQRD-CQSZACIVSA-N -1 3 340.420 2.463 10 30 EEEEHM Cc1cnc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000358624906 465229284 /nfs/dbraw/zinc/22/92/84/465229284.db2.gz GFDUICCXOFPLAI-UHFFFAOYSA-N -1 3 338.411 2.171 10 30 EEEEHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C#N)cn2C)n1 ZINC000083765889 463562247 /nfs/dbraw/zinc/56/22/47/463562247.db2.gz LQIVWNYJSVLLEE-JTQLQIEISA-N -1 3 328.353 2.020 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(F)c1 ZINC000171620456 463894998 /nfs/dbraw/zinc/89/49/98/463894998.db2.gz URPUGJHRELPYKO-UHFFFAOYSA-N -1 3 326.299 2.454 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000294098071 464432267 /nfs/dbraw/zinc/43/22/67/464432267.db2.gz JGAGSTZTFOLGPN-AWEZNQCLSA-N -1 3 338.354 2.124 10 30 EEEEHM CCOC(=O)c1sc([N-]C(=O)c2cnn(C)c2OC)c(C#N)c1C ZINC000591272154 468435122 /nfs/dbraw/zinc/43/51/22/468435122.db2.gz HYKFRTOXOKVHGM-UHFFFAOYSA-N -1 3 348.384 2.099 10 30 EEEEHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1nc(C)cc(C)n1 ZINC000343913877 465565201 /nfs/dbraw/zinc/56/52/01/465565201.db2.gz GYJMQXOLCDSLKC-CQSZACIVSA-N -1 3 332.367 2.473 10 30 EEEEHM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000362612763 465882041 /nfs/dbraw/zinc/88/20/41/465882041.db2.gz IMKCLDVJAHHIPI-JTQLQIEISA-N -1 3 337.376 2.259 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000353717074 466090836 /nfs/dbraw/zinc/09/08/36/466090836.db2.gz GYISTAXCSZUIIN-GDLCADMTSA-N -1 3 331.416 2.233 10 30 EEEEHM N#C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000362106528 466560671 /nfs/dbraw/zinc/56/06/71/466560671.db2.gz NNAVWJPTWKTGFE-CYBMUJFWSA-N -1 3 346.184 2.323 10 30 EEEEHM C[C@@H](CC#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000597288059 468507964 /nfs/dbraw/zinc/50/79/64/468507964.db2.gz UJTFIAFMEOMNMJ-JTQLQIEISA-N -1 3 341.408 2.391 10 30 EEEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000595353009 468822282 /nfs/dbraw/zinc/82/22/82/468822282.db2.gz HGACJBLYUHTNGY-HZPDHXFCSA-N -1 3 334.397 2.188 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncn(C(C)C)n1 ZINC000593230504 468911194 /nfs/dbraw/zinc/91/11/94/468911194.db2.gz VOOSMDHBZBZTFV-UHFFFAOYSA-N -1 3 328.376 2.019 10 30 EEEEHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C2 ZINC000593596444 469051682 /nfs/dbraw/zinc/05/16/82/469051682.db2.gz AOKGILMFMRVFDD-LBPRGKRZSA-N -1 3 334.422 2.210 10 30 EEEEHM C[C@]1(C[C@@H]2CCCN2c2cc(C#N)nc3ccccc32)NC(=O)[N-]C1=O ZINC000588073513 469112051 /nfs/dbraw/zinc/11/20/51/469112051.db2.gz AHCRLESUUJZCRV-ORAYPTAESA-N -1 3 349.394 2.063 10 30 EEEEHM C=CC(C)(C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000628315445 470090548 /nfs/dbraw/zinc/09/05/48/470090548.db2.gz LRMHTEMWFZEXNJ-LBPRGKRZSA-N -1 3 342.436 2.211 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccsc2)CCCCC1 ZINC000356252076 534561415 /nfs/dbraw/zinc/56/14/15/534561415.db2.gz KBCZWISKFJDKNQ-ZDUSSCGKSA-N -1 3 328.459 2.175 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H](c2nnc3ccccn32)C(C)C)c1[O-] ZINC000726119139 576238582 /nfs/dbraw/zinc/23/85/82/576238582.db2.gz VVZYIDYSTAZBGN-PADWCVLASA-N -1 3 339.399 2.447 10 30 EEEEHM C[C@H]1CCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000773989762 577377162 /nfs/dbraw/zinc/37/71/62/577377162.db2.gz QWBWSNDYOPUKDY-DZGCQCFKSA-N -1 3 349.394 2.284 10 30 EEEEHM Cc1ccc([O-])c(C=NNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)n1 ZINC000769812104 577585072 /nfs/dbraw/zinc/58/50/72/577585072.db2.gz LAXCXLCJPVWWAD-UHFFFAOYSA-N -1 3 341.375 2.142 10 30 EEEEHM O=S(=O)(c1ccc(NN=Cc2ccc([O-])cn2)cc1)C(F)F ZINC000755681650 577829206 /nfs/dbraw/zinc/82/92/06/577829206.db2.gz CKNIAKZWTDSUFV-UHFFFAOYSA-N -1 3 327.312 2.230 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC000936437600 686180637 /nfs/dbraw/zinc/18/06/37/686180637.db2.gz LKAAXOIRUNJXLV-KBPBESRZSA-N -1 3 328.412 2.420 10 30 EEEEHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(C2CC2)CC1 ZINC000904187523 694315642 /nfs/dbraw/zinc/31/56/42/694315642.db2.gz NHIZVRNOPCCNLA-UHFFFAOYSA-N -1 3 328.368 2.081 10 30 EEEEHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904187325 694315994 /nfs/dbraw/zinc/31/59/94/694315994.db2.gz IZFHKKDEFSRYBN-MEYUZBJRSA-N -1 3 342.395 2.183 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001266341262 1176337913 /nfs/dbraw/zinc/33/79/13/1176337913.db2.gz DDRPOGPRYCJDEU-AUUYWEPGSA-N -1 3 344.459 2.352 10 30 EEEEHM CCN(C(=O)C#CC(C)C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001746082548 1187209418 /nfs/dbraw/zinc/20/94/18/1187209418.db2.gz PZZARXNJVRJJHI-OAHLLOKOSA-N -1 3 328.412 2.115 10 30 EEEEHM CCCCCCN([O-])C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC001649056673 1193498952 /nfs/dbraw/zinc/49/89/52/1193498952.db2.gz FWFUKLZZHZUDDA-UHFFFAOYSA-N -1 3 339.417 2.150 10 30 EEEEHM C=CCCOCC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001746511543 1193609679 /nfs/dbraw/zinc/60/96/79/1193609679.db2.gz GUUCHNOOHIQMRG-SHTZXODSSA-N -1 3 346.427 2.142 10 30 EEEEHM CCO[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000870454992 1200685770 /nfs/dbraw/zinc/68/57/70/1200685770.db2.gz SELSJVNRUWVXHM-KYJSFNMBSA-N -1 3 341.407 2.438 10 30 EEEEHM CO[C@H]1CC[C@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000870706100 1200826042 /nfs/dbraw/zinc/82/60/42/1200826042.db2.gz MUCVFHNCLUNLMW-FZMZJTMJSA-N -1 3 331.416 2.234 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1ccccc1)C(=O)OCC ZINC000882644502 1201912573 /nfs/dbraw/zinc/91/25/73/1201912573.db2.gz HSKQVQZPXZGLJJ-HNNXBMFYSA-N -1 3 325.430 2.046 10 30 EEEEHM C#C[C@@H](C)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1Cc1ccccc1 ZINC001122162345 1310232892 /nfs/dbraw/zinc/23/28/92/1310232892.db2.gz RQFYQHQMIXYJCI-LLVKDONJSA-N -1 3 341.806 2.223 10 30 EEEEHM C#C[C@@H](C)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1Cc1ccccc1 ZINC001122162345 1310232897 /nfs/dbraw/zinc/23/28/97/1310232897.db2.gz RQFYQHQMIXYJCI-LLVKDONJSA-N -1 3 341.806 2.223 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](CC#N)C1 ZINC001263288432 1322453471 /nfs/dbraw/zinc/45/34/71/1322453471.db2.gz RYJGTMSBMSCXPH-LLVKDONJSA-N -1 3 346.826 2.423 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](CC#N)C1 ZINC001263288432 1322453474 /nfs/dbraw/zinc/45/34/74/1322453474.db2.gz RYJGTMSBMSCXPH-LLVKDONJSA-N -1 3 346.826 2.423 10 30 EEEEHM C=CCOCCCC(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001281339527 1324975739 /nfs/dbraw/zinc/97/57/39/1324975739.db2.gz VNYLXNNRSPYIKL-UHFFFAOYSA-N -1 3 346.427 2.094 10 30 EEEEHM C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001287879418 1327555470 /nfs/dbraw/zinc/55/54/70/1327555470.db2.gz DHSQHAUKJGYMRS-TZMCWYRMSA-N -1 3 341.415 2.033 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001357332834 1338984157 /nfs/dbraw/zinc/98/41/57/1338984157.db2.gz CYEMSIPKFLQEHJ-GOEBONIOSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCOCC(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001643403019 1352747877 /nfs/dbraw/zinc/74/78/77/1352747877.db2.gz DAIIJGRSGFMAIF-UHFFFAOYSA-N -1 3 344.371 2.120 10 30 EEEEHM C=CCCC[C@H](NC(=O)c1cc(NC(=O)C=C)ccc1[O-])C(=O)OC ZINC001652017761 1354073469 /nfs/dbraw/zinc/07/34/69/1354073469.db2.gz VRHPNDFTGOUDSP-AWEZNQCLSA-N -1 3 346.383 2.144 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1ccc(C)cc1)C(=O)OCC ZINC001656679776 1354264222 /nfs/dbraw/zinc/26/42/22/1354264222.db2.gz JOVQFVVYOYZPMJ-MRXNPFEDSA-N -1 3 339.457 2.355 10 30 EEEEHM C#Cc1ccc(C(=O)N(CC)CCNC(=O)c2ccccc2[O-])cc1 ZINC001688388114 1358940335 /nfs/dbraw/zinc/94/03/35/1358940335.db2.gz ULLRALQGFMABKD-UHFFFAOYSA-N -1 3 336.391 2.266 10 30 EEEEHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nn1 ZINC001669875363 1356230602 /nfs/dbraw/zinc/23/06/02/1356230602.db2.gz RYISKQSCUSXYBV-UHFFFAOYSA-N -1 3 347.227 2.249 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001688274936 1358883793 /nfs/dbraw/zinc/88/37/93/1358883793.db2.gz JMKJWAYVZAVCCK-KZULUSFZSA-N -1 3 343.431 2.185 10 30 EEEEHM N#CC1(CS(=O)(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC000921452488 773382821 /nfs/dbraw/zinc/38/28/21/773382821.db2.gz QPHOFLKGPFUIAJ-UHFFFAOYSA-N -1 3 326.393 2.425 10 30 EEEEHM N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816692635 784199382 /nfs/dbraw/zinc/19/93/82/784199382.db2.gz SBPAYDVHEGMWSW-CQSZACIVSA-N -1 3 337.335 2.070 10 30 EEEEHM C#CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000844000011 788794935 /nfs/dbraw/zinc/79/49/35/788794935.db2.gz TTYSMDVAIASUKR-NVXWUHKLSA-N -1 3 340.423 2.259 10 30 EEEEHM C=CCNc1ncc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)s1 ZINC001179183950 799798927 /nfs/dbraw/zinc/79/89/27/799798927.db2.gz YYIYXVMYAPTHJX-LURJTMIESA-N -1 3 346.338 2.369 10 30 EEEEHM C=CCNc1ncc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)s1 ZINC001179183953 799799070 /nfs/dbraw/zinc/79/90/70/799799070.db2.gz YYIYXVMYAPTHJX-ZCFIWIBFSA-N -1 3 346.338 2.369 10 30 EEEEHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)NCc1ccco1 ZINC001442751953 1097128669 /nfs/dbraw/zinc/12/86/69/1097128669.db2.gz BJNPPBQBLCYJSU-NSHDSACASA-N -1 3 347.321 2.064 10 30 EEEEHM CCN(CCCNC(=O)c1ncccc1[O-])Cc1ccc(C#N)s1 ZINC001479842430 1099133760 /nfs/dbraw/zinc/13/37/60/1099133760.db2.gz VFAXWKQRSHOMSE-UHFFFAOYSA-N -1 3 344.440 2.362 10 30 EEEEHM Cc1ccccc1Nc1scnc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001450274169 1105342963 /nfs/dbraw/zinc/34/29/63/1105342963.db2.gz VNYPBEOHTRWVLD-GFCCVEGCSA-N -1 3 346.412 2.305 10 30 EEEEHM C#CCC1(C(=O)NC2CN(C(=O)c3ccccc3[O-])C2)CCCCC1 ZINC001498251980 1107158368 /nfs/dbraw/zinc/15/83/68/1107158368.db2.gz SRNOTRXRWOUEIS-UHFFFAOYSA-N -1 3 340.423 2.307 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001475791519 1110620961 /nfs/dbraw/zinc/62/09/61/1110620961.db2.gz ASROILUVXRTCMM-RDTXWAMCSA-N -1 3 349.452 2.285 10 30 EEEEHM C=CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001512225993 1118461721 /nfs/dbraw/zinc/46/17/21/1118461721.db2.gz CTICMJOBVJFDOD-NWDGAFQWSA-N -1 3 346.431 2.039 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1ccccn1 ZINC001523811288 1119877483 /nfs/dbraw/zinc/87/74/83/1119877483.db2.gz CEGNUBIVFHHKSP-UHFFFAOYSA-N -1 3 344.810 2.324 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1ccccn1 ZINC001523811288 1119877488 /nfs/dbraw/zinc/87/74/88/1119877488.db2.gz CEGNUBIVFHHKSP-UHFFFAOYSA-N -1 3 344.810 2.324 10 30 EEEEHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279421794 539708507 /nfs/dbraw/zinc/70/85/07/539708507.db2.gz CVJKHQJGQRSADF-OAHLLOKOSA-N -1 3 345.420 2.361 10 30 EEEEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccccc1 ZINC000185579429 160041960 /nfs/dbraw/zinc/04/19/60/160041960.db2.gz RTSHJUVUIPBLTA-OAHLLOKOSA-N -1 3 346.408 2.233 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000352734189 162266145 /nfs/dbraw/zinc/26/61/45/162266145.db2.gz JPSSCPJPAJANPO-UHFFFAOYSA-N -1 3 325.390 2.065 10 30 EEEEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C#N)ccc2OC(F)F)n1 ZINC000355490618 163208927 /nfs/dbraw/zinc/20/89/27/163208927.db2.gz FBOBOANRKJRXCV-UHFFFAOYSA-N -1 3 337.242 2.054 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)[N-]CC2(O)CCCCCC2)c(F)c1 ZINC000360255455 164269329 /nfs/dbraw/zinc/26/93/29/164269329.db2.gz BDVNQSRIQIHLQK-UHFFFAOYSA-N -1 3 340.420 2.202 10 30 EEEEHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000331141540 270018854 /nfs/dbraw/zinc/01/88/54/270018854.db2.gz MFVUGTBTCRTTJV-UHFFFAOYSA-N -1 3 336.442 2.240 10 30 EEEEHM Cc1nsc([N-]C(=O)Nc2ccc(COCCO)cc2)c1C#N ZINC000566198830 319259249 /nfs/dbraw/zinc/25/92/49/319259249.db2.gz WBVXXEHIKUFBCT-UHFFFAOYSA-N -1 3 332.385 2.476 10 30 EEEEHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(F)cc3nn[n-]c31)CC2 ZINC000328645417 465085920 /nfs/dbraw/zinc/08/59/20/465085920.db2.gz GKDQKGLSEVVWOC-JTQLQIEISA-N -1 3 343.366 2.132 10 30 EEEEHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(F)cc3[n-]nnc31)CC2 ZINC000328645417 465085924 /nfs/dbraw/zinc/08/59/24/465085924.db2.gz GKDQKGLSEVVWOC-JTQLQIEISA-N -1 3 343.366 2.132 10 30 EEEEHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(F)cc3n[n-]nc31)CC2 ZINC000328645417 465085927 /nfs/dbraw/zinc/08/59/27/465085927.db2.gz GKDQKGLSEVVWOC-JTQLQIEISA-N -1 3 343.366 2.132 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000351580292 465233159 /nfs/dbraw/zinc/23/31/59/465233159.db2.gz KBFTXUGBWUYGJR-GFCCVEGCSA-N -1 3 342.829 2.285 10 30 EEEEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000289574393 464085902 /nfs/dbraw/zinc/08/59/02/464085902.db2.gz OPWWDLNUHWXLKX-RKDXNWHRSA-N -1 3 347.234 2.022 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1CCO ZINC000356736947 465512772 /nfs/dbraw/zinc/51/27/72/465512772.db2.gz OUOZBONOBIKNCU-HNNXBMFYSA-N -1 3 345.443 2.362 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000338295684 465991954 /nfs/dbraw/zinc/99/19/54/465991954.db2.gz JZDLFARCIBOZLX-LLVKDONJSA-N -1 3 326.400 2.359 10 30 EEEEHM C=CCN(CC=C)[C@@H](CN=c1[n-]c(C2CCOCC2)no1)C(C)C ZINC000413052935 467161172 /nfs/dbraw/zinc/16/11/72/467161172.db2.gz ZCJFRNDHAKWZCP-INIZCTEOSA-N -1 3 334.464 2.496 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)CCCC1 ZINC000566002599 468141843 /nfs/dbraw/zinc/14/18/43/468141843.db2.gz SZSRXIJJGOXDRI-CQSZACIVSA-N -1 3 338.404 2.133 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000594756753 468675212 /nfs/dbraw/zinc/67/52/12/468675212.db2.gz ACHUKHJAXJQKMP-ONGXEEELSA-N -1 3 338.454 2.377 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1C[C@@](C)(O)C1 ZINC000594783219 468683932 /nfs/dbraw/zinc/68/39/32/468683932.db2.gz KEUYOLLIOCRWMJ-WGRBQBNCSA-N -1 3 336.438 2.273 10 30 EEEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000595353724 468822578 /nfs/dbraw/zinc/82/25/78/468822578.db2.gz LNKDWJZSGKJYLS-HOTGVXAUSA-N -1 3 336.457 2.358 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCOC1(C)C ZINC000598453849 468872167 /nfs/dbraw/zinc/87/21/67/468872167.db2.gz KTTWKMTXNCJCEP-CYBMUJFWSA-N -1 3 331.416 2.140 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601514254 468902892 /nfs/dbraw/zinc/90/28/92/468902892.db2.gz INVAQJPAGKJJLW-HOCLYGCPSA-N -1 3 338.404 2.323 10 30 EEEEHM N#Cc1cncc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598627486 468938230 /nfs/dbraw/zinc/93/82/30/468938230.db2.gz GOBLCLFCVLTWNY-CYBMUJFWSA-N -1 3 329.372 2.446 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)C1 ZINC000593525124 469016408 /nfs/dbraw/zinc/01/64/08/469016408.db2.gz IWPTVSFBHSSDSL-CQSZACIVSA-N -1 3 347.465 2.173 10 30 EEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)N1CCc2ccccc21 ZINC000593531543 469020352 /nfs/dbraw/zinc/02/03/52/469020352.db2.gz OHNJKFUBZRLYIA-LBPRGKRZSA-N -1 3 347.465 2.349 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000593568174 469040156 /nfs/dbraw/zinc/04/01/56/469040156.db2.gz UVJNXSPIOWMYLK-LERXQTSPSA-N -1 3 338.454 2.246 10 30 EEEEHM C=CCOCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000679504902 485718401 /nfs/dbraw/zinc/71/84/01/485718401.db2.gz FIQVZFSFEWDRSQ-UHFFFAOYSA-N -1 3 329.194 2.157 10 30 EEEEHM C=CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000111632303 526973584 /nfs/dbraw/zinc/97/35/84/526973584.db2.gz RHLIRYHAHPKHSZ-MRXNPFEDSA-N -1 3 328.412 2.421 10 30 EEEEHM CC(=NN=c1cc[n-]n1C)c1ccc(N2CCOCC2)cc1Cl ZINC000774411422 577398064 /nfs/dbraw/zinc/39/80/64/577398064.db2.gz RIYMYFMGEASDPD-UHFFFAOYSA-N -1 3 333.823 2.168 10 30 EEEEHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)sc2nccn12 ZINC000769246787 577573188 /nfs/dbraw/zinc/57/31/88/577573188.db2.gz QDMHMILXJMNDAB-SNVBAGLBSA-N -1 3 325.353 2.060 10 30 EEEEHM O=c1nc(C=N[O-])ccn1CCOc1c(Cl)cccc1Cl ZINC000736302311 578194435 /nfs/dbraw/zinc/19/44/35/578194435.db2.gz JUMBGEKJDKVBIK-UHFFFAOYSA-N -1 3 328.155 2.437 10 30 EEEEHM CC(C)[C@@H]1C[C@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184486 694314779 /nfs/dbraw/zinc/31/47/79/694314779.db2.gz RPYQHXZHVHMJCW-LSDHHAIUSA-N -1 3 330.384 2.183 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000904207107 694321816 /nfs/dbraw/zinc/32/18/16/694321816.db2.gz QQLQQCFWUMOSPD-NXEZZACHSA-N -1 3 331.356 2.008 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1cncn1C ZINC000904212203 694333485 /nfs/dbraw/zinc/33/34/85/694333485.db2.gz AZMRGMDHQBLHRL-CZUORRHYSA-N -1 3 336.436 2.128 10 30 EEEEHM C=C[C@H](CC)CC(=O)N[C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001746151487 1187554817 /nfs/dbraw/zinc/55/48/17/1187554817.db2.gz MUCJRKJJFRMFEV-OLZOCXBDSA-N -1 3 343.431 2.185 10 30 EEEEHM Cc1ccoc1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001649035790 1191007884 /nfs/dbraw/zinc/00/78/84/1191007884.db2.gz MJAIKYXXWJOPQS-UHFFFAOYSA-N -1 3 328.324 2.106 10 30 EEEEHM C#CCC1(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001486656411 1194139033 /nfs/dbraw/zinc/13/90/33/1194139033.db2.gz RSCIZAARYOYDLJ-KGLIPLIRSA-N -1 3 328.412 2.209 10 30 EEEEHM CN(C)CCCS(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000867898407 1201701849 /nfs/dbraw/zinc/70/18/49/1201701849.db2.gz GITRTLZWSPUGAW-ZDUSSCGKSA-N -1 3 349.378 2.033 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)OCC ZINC000882646711 1201913133 /nfs/dbraw/zinc/91/31/33/1201913133.db2.gz YIBLHFRBJYZOCF-LBPRGKRZSA-N -1 3 333.356 2.141 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]12C[C@H]1COC21CCC1 ZINC000887137250 1204214949 /nfs/dbraw/zinc/21/49/49/1204214949.db2.gz ZTIUKGNITADGSN-ORAYPTAESA-N -1 3 341.411 2.036 10 30 EEEEHM C#C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C1CCOCC1 ZINC000856108713 1293407969 /nfs/dbraw/zinc/40/79/69/1293407969.db2.gz KOWNUANEBNXBQT-HNNXBMFYSA-N -1 3 337.322 2.015 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CC(C)C)C1 ZINC001263409258 1322476917 /nfs/dbraw/zinc/47/69/17/1322476917.db2.gz LCFMRTHRMOYWPK-CQSZACIVSA-N -1 3 340.431 2.336 10 30 EEEEHM CC#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001280748539 1324475231 /nfs/dbraw/zinc/47/52/31/1324475231.db2.gz ACSXWOFSFPNRNL-SHTZXODSSA-N -1 3 328.412 2.210 10 30 EEEEHM CC(C)C#CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001281189786 1324847286 /nfs/dbraw/zinc/84/72/86/1324847286.db2.gz VVLLWKATKAFPMP-FXAWDEMLSA-N -1 3 340.423 2.305 10 30 EEEEHM C=CCOCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001282335676 1325694692 /nfs/dbraw/zinc/69/46/92/1325694692.db2.gz ZXYVGCHISOYVSG-ZBFHGGJFSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCC(=O)N1CCC(C)(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001286041911 1327260361 /nfs/dbraw/zinc/26/03/61/1327260361.db2.gz XFCSKTYMMLNVQP-UHFFFAOYSA-N -1 3 341.415 2.035 10 30 EEEEHM C#C[C@H](CC)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001297451611 1329973208 /nfs/dbraw/zinc/97/32/08/1329973208.db2.gz OZPGJONDLNQZNW-SNVBAGLBSA-N -1 3 333.185 2.432 10 30 EEEEHM O=C(NCC#C[C@@H]1CCCCO1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001305026903 1331406675 /nfs/dbraw/zinc/40/66/75/1331406675.db2.gz NSZCTFZAAUJEAG-LBPRGKRZSA-N -1 3 344.798 2.484 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001339847172 1337083486 /nfs/dbraw/zinc/08/34/86/1337083486.db2.gz FIHCSOJGGWLWDZ-VXGBXAGGSA-N -1 3 348.447 2.106 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001340571557 1337208460 /nfs/dbraw/zinc/20/84/60/1337208460.db2.gz NLORAURCBCUDHS-CMPLNLGQSA-N -1 3 332.383 2.119 10 30 EEEEHM C#CCN(C)c1nnc(-c2nnc(Cl)[n-]2)n1CCc1ccccc1 ZINC001354473812 1338520054 /nfs/dbraw/zinc/52/00/54/1338520054.db2.gz CVIZEESEDDRTRO-UHFFFAOYSA-N -1 3 341.806 2.029 10 30 EEEEHM C#CCN(C)c1nnc(-c2n[n-]c(Cl)n2)n1CCc1ccccc1 ZINC001354473812 1338520055 /nfs/dbraw/zinc/52/00/55/1338520055.db2.gz CVIZEESEDDRTRO-UHFFFAOYSA-N -1 3 341.806 2.029 10 30 EEEEHM C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1CNC(=O)C#CC1CC1 ZINC001357072052 1338946230 /nfs/dbraw/zinc/94/62/30/1338946230.db2.gz ZTZACVBTLUPXOP-RHSMWYFYSA-N -1 3 340.423 2.163 10 30 EEEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OCC ZINC001561813620 1342531557 /nfs/dbraw/zinc/53/15/57/1342531557.db2.gz CSSLBBBPYOKDRD-UHFFFAOYSA-N -1 3 343.449 2.166 10 30 EEEEHM C=CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001677888084 1357427397 /nfs/dbraw/zinc/42/73/97/1357427397.db2.gz PIWYTEOZILFKQA-OLZOCXBDSA-N -1 3 341.411 2.117 10 30 EEEEHM N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCN([O-])C3=O)c2)cc1 ZINC001628369995 1352532344 /nfs/dbraw/zinc/53/23/44/1352532344.db2.gz HTYGVBBJTLIYQZ-INIZCTEOSA-N -1 3 336.351 2.022 10 30 EEEEHM C=CCCOCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001646347384 1352831672 /nfs/dbraw/zinc/83/16/72/1352831672.db2.gz GVTBISJRFDCURS-UHFFFAOYSA-N -1 3 329.356 2.298 10 30 EEEEHM C=CCCOCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001646347384 1352831674 /nfs/dbraw/zinc/83/16/74/1352831674.db2.gz GVTBISJRFDCURS-UHFFFAOYSA-N -1 3 329.356 2.298 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OCC ZINC001662024827 1354743591 /nfs/dbraw/zinc/74/35/91/1354743591.db2.gz ZNQCGUVQNZHEGA-CYBMUJFWSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCCCC(=O)N[C@H](C)C1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001675338685 1356967909 /nfs/dbraw/zinc/96/79/09/1356967909.db2.gz YTHLVFCOAGETND-CYBMUJFWSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C[C@@H](CC)CC(=O)NCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001688272101 1358882632 /nfs/dbraw/zinc/88/26/32/1358882632.db2.gz WWGFAYFDNDHANK-OLZOCXBDSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OCC ZINC001211881154 782347575 /nfs/dbraw/zinc/34/75/75/782347575.db2.gz HVJJLUUHGFXRLX-ZDUSSCGKSA-N -1 3 347.383 2.449 10 30 EEEEHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)c1ccc(F)cc1Cl ZINC000918317835 769043919 /nfs/dbraw/zinc/04/39/19/769043919.db2.gz TZUPZENNHAEOLA-UHFFFAOYSA-N -1 3 332.784 2.131 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)OC ZINC000921383323 773319300 /nfs/dbraw/zinc/31/93/00/773319300.db2.gz UJGGXIQAMQFMQV-NSHDSACASA-N -1 3 346.836 2.220 10 30 EEEEHM C=CCCc1ccc(S(=O)(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1 ZINC000907372116 784570126 /nfs/dbraw/zinc/57/01/26/784570126.db2.gz KXYWNBQFBWQEFP-UHFFFAOYSA-N -1 3 345.424 2.314 10 30 EEEEHM C#C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCOCC1 ZINC001453744695 1106436739 /nfs/dbraw/zinc/43/67/39/1106436739.db2.gz JKVWIBZGXQGCFQ-OAHLLOKOSA-N -1 3 344.798 2.340 10 30 EEEEHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455667081 1108791869 /nfs/dbraw/zinc/79/18/69/1108791869.db2.gz UBIHMMUILDXCET-LLVKDONJSA-N -1 3 338.367 2.015 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC001463945936 1110383903 /nfs/dbraw/zinc/38/39/03/1110383903.db2.gz NIMKHPFLQSZVSQ-HNNXBMFYSA-N -1 3 347.367 2.265 10 30 EEEEHM CCOC(=O)c1cc(NC(=O)Cc2c(C)cc(C#N)cc2C)[n-]n1 ZINC001466590084 1110438943 /nfs/dbraw/zinc/43/89/43/1110438943.db2.gz ILGIGEMOIWEKTQ-UHFFFAOYSA-N -1 3 326.356 2.256 10 30 EEEEHM CCOC(=O)c1cc(NC(=O)Cc2c(C)cc(C#N)cc2C)n[n-]1 ZINC001466590084 1110438944 /nfs/dbraw/zinc/43/89/44/1110438944.db2.gz ILGIGEMOIWEKTQ-UHFFFAOYSA-N -1 3 326.356 2.256 10 30 EEEEHM C=CCCC(=O)N1CC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001506245394 1114496536 /nfs/dbraw/zinc/49/65/36/1114496536.db2.gz MBIZSLYOKXYIJJ-IBGZPJMESA-N -1 3 328.412 2.423 10 30 EEEEHM C=CCCCC(=O)N(C)CC(C)(C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001508687122 1115610000 /nfs/dbraw/zinc/61/00/00/1115610000.db2.gz LXGWCBNWTNMJOH-UHFFFAOYSA-N -1 3 348.447 2.061 10 30 EEEEHM C=CCOCCCC(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001523076525 1119624993 /nfs/dbraw/zinc/62/49/93/1119624993.db2.gz WMOQLROZYKRNHA-OAHLLOKOSA-N -1 3 346.427 2.048 10 30 EEEEHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl ZINC000052299847 214126369 /nfs/dbraw/zinc/12/63/69/214126369.db2.gz GWSZSNHSBJWXRE-UFBFGSQYSA-N -1 3 334.224 2.024 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Cl)cn1 ZINC000181671052 234277764 /nfs/dbraw/zinc/27/77/64/234277764.db2.gz KNIDFAMSIWGREN-UHFFFAOYSA-N -1 3 344.802 2.161 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000438469336 242020782 /nfs/dbraw/zinc/02/07/82/242020782.db2.gz VTJZEYCYKWPCHH-XIKOKIGWSA-N -1 3 342.395 2.248 10 30 EEEEHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119589634 159379970 /nfs/dbraw/zinc/37/99/70/159379970.db2.gz VOVUQCQABWPXAH-NSHDSACASA-N -1 3 336.355 2.088 10 30 EEEEHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119589634 159379971 /nfs/dbraw/zinc/37/99/71/159379971.db2.gz VOVUQCQABWPXAH-NSHDSACASA-N -1 3 336.355 2.088 10 30 EEEEHM CCCC(O)(CCC)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360252618 164268373 /nfs/dbraw/zinc/26/83/73/164268373.db2.gz WSOQBLONOBNINE-UHFFFAOYSA-N -1 3 342.436 2.448 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCCC2)s1 ZINC000528476006 268255773 /nfs/dbraw/zinc/25/57/73/268255773.db2.gz MCHLSIFHRMTIOI-ZDUSSCGKSA-N -1 3 339.486 2.305 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC000528500114 268324374 /nfs/dbraw/zinc/32/43/74/268324374.db2.gz GEWNUTIHCCKUPI-MRXNPFEDSA-N -1 3 328.397 2.168 10 30 EEEEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000566338389 319276309 /nfs/dbraw/zinc/27/63/09/319276309.db2.gz PRXNHQWWJYISJE-GWCFXTLKSA-N -1 3 330.837 2.287 10 30 EEEEHM COC[C@](C)([N-]S(=O)(=O)c1cc(C#N)ccc1C)C(F)(F)F ZINC000358799831 465330253 /nfs/dbraw/zinc/33/02/53/465330253.db2.gz KSEWWPHAHWOHEC-LBPRGKRZSA-N -1 3 336.335 2.112 10 30 EEEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000281478705 464470852 /nfs/dbraw/zinc/47/08/52/464470852.db2.gz JLQVKSQVSSADRZ-SNVBAGLBSA-N -1 3 342.373 2.014 10 30 EEEEHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000181714302 464522284 /nfs/dbraw/zinc/52/22/84/464522284.db2.gz YKAUOSBHMKHVRN-UHFFFAOYSA-N -1 3 336.392 2.028 10 30 EEEEHM C=CCCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000344445989 465620722 /nfs/dbraw/zinc/62/07/22/465620722.db2.gz IVSMELBZFMQOGW-UHFFFAOYSA-N -1 3 342.399 2.090 10 30 EEEEHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(C)o1 ZINC000581723735 468498579 /nfs/dbraw/zinc/49/85/79/468498579.db2.gz UCENJVQFXOTGSZ-MRXNPFEDSA-N -1 3 348.424 2.461 10 30 EEEEHM C=CCCCCCNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000567519669 468172605 /nfs/dbraw/zinc/17/26/05/468172605.db2.gz NHKTYOBXKYWKBM-SFHVURJKSA-N -1 3 329.400 2.217 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000594485899 468604511 /nfs/dbraw/zinc/60/45/11/468604511.db2.gz CMSWPYJFZXUFBB-YPMHNXCESA-N -1 3 348.346 2.337 10 30 EEEEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)O1 ZINC000594852199 468705524 /nfs/dbraw/zinc/70/55/24/468705524.db2.gz OJHIPPBBRAWPAO-JQWIXIFHSA-N -1 3 328.821 2.448 10 30 EEEEHM CCOC(=O)C(CC)(CC)C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000601497104 468894194 /nfs/dbraw/zinc/89/41/94/468894194.db2.gz NKYYGTGVOQVHEG-UHFFFAOYSA-N -1 3 344.477 2.359 10 30 EEEEHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593530281 469018699 /nfs/dbraw/zinc/01/86/99/469018699.db2.gz JGALLCCTIUGGIQ-RYUDHWBXSA-N -1 3 328.459 2.493 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(OCC2CC2)nc1 ZINC000593538850 469024107 /nfs/dbraw/zinc/02/41/07/469024107.db2.gz RDICAKKPOXACMJ-UHFFFAOYSA-N -1 3 349.437 2.282 10 30 EEEEHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593575241 469043296 /nfs/dbraw/zinc/04/32/96/469043296.db2.gz ISYAVJQJHPKCOB-NSHDSACASA-N -1 3 340.426 2.139 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000593596079 469052234 /nfs/dbraw/zinc/05/22/34/469052234.db2.gz NQYUFGJDAABGIG-CZUORRHYSA-N -1 3 348.449 2.064 10 30 EEEEHM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(C)C ZINC000593600164 469053113 /nfs/dbraw/zinc/05/31/13/469053113.db2.gz AOCBXBTXLNIAEA-BXUZGUMPSA-N -1 3 330.475 2.187 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599363573 469228207 /nfs/dbraw/zinc/22/82/07/469228207.db2.gz RQRQCFFMFNHIBN-GRYCIOLGSA-N -1 3 335.385 2.181 10 30 EEEEHM C=CCCCCCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000564586899 469255481 /nfs/dbraw/zinc/25/54/81/469255481.db2.gz YVABQBMPSOEKSJ-HNNXBMFYSA-N -1 3 344.415 2.305 10 30 EEEEHM C=C[C@H](C)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625055773 470067771 /nfs/dbraw/zinc/06/77/71/470067771.db2.gz NSZTYEHBDAQJED-QMMMGPOBSA-N -1 3 325.308 2.447 10 30 EEEEHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632183939 470206393 /nfs/dbraw/zinc/20/63/93/470206393.db2.gz JMUYKXDVYMNUTB-VIFPVBQESA-N -1 3 325.356 2.462 10 30 EEEEHM C=CC(C)(C)CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000628318080 485712239 /nfs/dbraw/zinc/71/22/39/485712239.db2.gz NQISFHGCOSKFSX-UHFFFAOYSA-N -1 3 329.400 2.211 10 30 EEEEHM Cc1nnc(N=NC2CCN(Cc3ccccc3)C[C@@H]2C)[n-]c1=O ZINC000734362932 577291523 /nfs/dbraw/zinc/29/15/23/577291523.db2.gz DMVGNRXOLMOCLU-LBPRGKRZSA-N -1 3 326.404 2.196 10 30 EEEEHM CCCC[C@@H](ON=C(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000775907324 577448411 /nfs/dbraw/zinc/44/84/11/577448411.db2.gz OWAZBFIZEJQMBR-SECBINFHSA-N -1 3 335.330 2.411 10 30 EEEEHM CCCC[C@@H](ON=C(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000775907324 577448412 /nfs/dbraw/zinc/44/84/12/577448412.db2.gz OWAZBFIZEJQMBR-SECBINFHSA-N -1 3 335.330 2.411 10 30 EEEEHM CCCC[C@@H](ON=C(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775907324 577448413 /nfs/dbraw/zinc/44/84/13/577448413.db2.gz OWAZBFIZEJQMBR-SECBINFHSA-N -1 3 335.330 2.411 10 30 EEEEHM CCOc1ccc(/C=N/CCC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000768269056 577553042 /nfs/dbraw/zinc/55/30/42/577553042.db2.gz LOVXPYFZVUOMNU-SFQUDFHCSA-N -1 3 325.430 2.425 10 30 EEEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C2=COCCC2)cc1OC ZINC000744032777 577892344 /nfs/dbraw/zinc/89/23/44/577892344.db2.gz NZGBYGHABCZSFJ-ZDUSSCGKSA-N -1 3 330.340 2.045 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000904207108 694322052 /nfs/dbraw/zinc/32/20/52/694322052.db2.gz QQLQQCFWUMOSPD-UWVGGRQHSA-N -1 3 331.356 2.008 10 30 EEEEHM O=C(NC1(CNCC#Cc2ccccc2)CCCC1)c1ncccc1[O-] ZINC001267834944 1180606697 /nfs/dbraw/zinc/60/66/97/1180606697.db2.gz KBTWZTJVBOUJCY-UHFFFAOYSA-N -1 3 349.434 2.471 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875711079 1199356671 /nfs/dbraw/zinc/35/66/71/1199356671.db2.gz VHLUYFRUOCNKLY-CHWSQXEVSA-N -1 3 347.381 2.441 10 30 EEEEHM COC(=O)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C#N)cc1 ZINC000811186940 1199916372 /nfs/dbraw/zinc/91/63/72/1199916372.db2.gz DRNMDTUTDVNZMM-MRXNPFEDSA-N -1 3 336.303 2.207 10 30 EEEEHM CC(C)(C)c1cc(C(=O)N[C@H]2CCCN([O-])C2=O)cc(Cl)n1 ZINC000868563274 1201835746 /nfs/dbraw/zinc/83/57/46/1201835746.db2.gz PSNNMSQJNWMZCS-JTQLQIEISA-N -1 3 325.796 2.143 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)C(=O)OCC ZINC000882644463 1201912799 /nfs/dbraw/zinc/91/27/99/1201912799.db2.gz GQSOGFHYYJDGJP-NWDGAFQWSA-N -1 3 339.404 2.239 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1ccccc1F)C(=O)OCC ZINC000882645270 1201913235 /nfs/dbraw/zinc/91/32/35/1201913235.db2.gz OHZQJBDRUYOBCN-HNNXBMFYSA-N -1 3 343.420 2.186 10 30 EEEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867407060 1289777511 /nfs/dbraw/zinc/77/75/11/1289777511.db2.gz KVEBKFBSGNHAPZ-VBKZILBWSA-N -1 3 330.475 2.126 10 30 EEEEHM C#CCO[N-]C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000862183727 1295737931 /nfs/dbraw/zinc/73/79/31/1295737931.db2.gz JTLIXHUIPMAZDB-UHFFFAOYSA-N -1 3 344.411 2.203 10 30 EEEEHM N#CCNC[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC001264038136 1322594959 /nfs/dbraw/zinc/59/49/59/1322594959.db2.gz FKXIXLMPPIIJLN-DGCLKSJQSA-N -1 3 341.333 2.146 10 30 EEEEHM C=CCCC(=O)N[C@H](CCN(C)C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001280572681 1324305227 /nfs/dbraw/zinc/30/52/27/1324305227.db2.gz DGCUFAATTRVIFW-CQSZACIVSA-N -1 3 348.447 2.060 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H](C)CCCCNC(=O)c1ccccc1[O-] ZINC001281563891 1325286689 /nfs/dbraw/zinc/28/66/89/1325286689.db2.gz QZIHQMGSYCRNQS-HNNXBMFYSA-N -1 3 330.428 2.456 10 30 EEEEHM C=CCn1cccc1C(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001285600437 1327071466 /nfs/dbraw/zinc/07/14/66/1327071466.db2.gz ZLNWDENZBPCSNF-AWEZNQCLSA-N -1 3 341.411 2.270 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001339091074 1336957450 /nfs/dbraw/zinc/95/74/50/1336957450.db2.gz KPFMZUNJAAYQIA-AWEZNQCLSA-N -1 3 332.799 2.033 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001339091074 1336957451 /nfs/dbraw/zinc/95/74/51/1336957451.db2.gz KPFMZUNJAAYQIA-AWEZNQCLSA-N -1 3 332.799 2.033 10 30 EEEEHM C=CCCC(=O)NCC1(NC(=O)c2c(C)nc[n-]c2=O)CCCCC1 ZINC001678509433 1357522147 /nfs/dbraw/zinc/52/21/47/1357522147.db2.gz HWGWWAHYVUPGQW-UHFFFAOYSA-N -1 3 346.431 2.006 10 30 EEEEHM O=C(CNC(=O)c1cc(Cl)ccn1)N([O-])Cc1ccc(F)cc1 ZINC001651237989 1354046011 /nfs/dbraw/zinc/04/60/11/1354046011.db2.gz JDYUZHPZQSKHTN-UHFFFAOYSA-N -1 3 337.738 2.022 10 30 EEEEHM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC001665457630 1355314110 /nfs/dbraw/zinc/31/41/10/1355314110.db2.gz YKRJWNPHBWNUOU-NSHDSACASA-N -1 3 347.267 2.369 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCCc1ccccc1)C(=O)OC ZINC000918792620 769397869 /nfs/dbraw/zinc/39/78/69/769397869.db2.gz NEOBNAADVLHGLY-OAHLLOKOSA-N -1 3 325.430 2.046 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)CC=C(Cl)Cl)C(=O)OC ZINC000921382297 773317231 /nfs/dbraw/zinc/31/72/31/773317231.db2.gz AZWDHJTVJBOGTH-VIFPVBQESA-N -1 3 330.233 2.123 10 30 EEEEHM Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCN([O-])C2=O)c1C(C)C ZINC000820174960 785821339 /nfs/dbraw/zinc/82/13/39/785821339.db2.gz PGUZVPCHTUBXQZ-AWEZNQCLSA-N -1 3 342.399 2.024 10 30 EEEEHM Cc1cccc(C#N)c1S(=O)(=O)[N-][C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921852670 797499877 /nfs/dbraw/zinc/49/98/77/797499877.db2.gz AGPWBMQFQQSAJY-YPMHNXCESA-N -1 3 348.346 2.112 10 30 EEEEHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)c1 ZINC000791771611 809396934 /nfs/dbraw/zinc/39/69/34/809396934.db2.gz PGYUAXXQVOLOGZ-GFCCVEGCSA-N -1 3 344.396 2.112 10 30 EEEEHM C=CCCOCC(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001494520924 1104110377 /nfs/dbraw/zinc/11/03/77/1104110377.db2.gz GUUCHNOOHIQMRG-UHFFFAOYSA-N -1 3 346.427 2.142 10 30 EEEEHM C=C(C)CCC(=O)NCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001522932268 1119552326 /nfs/dbraw/zinc/55/23/26/1119552326.db2.gz ZTHQWLJENNOLTL-UHFFFAOYSA-N -1 3 341.411 2.121 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001525768843 1120354554 /nfs/dbraw/zinc/35/45/54/1120354554.db2.gz MBVMYYCPBMLBBN-HNNXBMFYSA-N -1 3 328.412 2.020 10 30 EEEEHM C#CCC1(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001527089489 1120656283 /nfs/dbraw/zinc/65/62/83/1120656283.db2.gz LLLQTRGBHRWCDL-OAHLLOKOSA-N -1 3 340.423 2.164 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000130271914 205231566 /nfs/dbraw/zinc/23/15/66/205231566.db2.gz XPRPKZKNCMRXKI-UHFFFAOYSA-N -1 3 349.390 2.171 10 30 EEEEHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccnc(C#N)c3)n2)cc1 ZINC000345813790 161334449 /nfs/dbraw/zinc/33/44/49/161334449.db2.gz ZKBFHUBBXROVJS-UHFFFAOYSA-N -1 3 341.352 2.042 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000341513857 465207898 /nfs/dbraw/zinc/20/78/98/465207898.db2.gz LLXIJRVBEXMIFT-AWEZNQCLSA-N -1 3 336.438 2.081 10 30 EEEEHM C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000337248960 465266575 /nfs/dbraw/zinc/26/65/75/465266575.db2.gz LGXBEKGMKDMSNX-AWEZNQCLSA-N -1 3 328.372 2.216 10 30 EEEEHM O=S(=O)(N/N=C/c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000005769886 462668278 /nfs/dbraw/zinc/66/82/78/462668278.db2.gz GSOWNPSXFVZBBX-OVCLIPMQSA-N -1 3 326.761 2.064 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2F)c(F)c1 ZINC000171620450 463894706 /nfs/dbraw/zinc/89/47/06/463894706.db2.gz DHIRUURQISDSIV-UHFFFAOYSA-N -1 3 326.299 2.454 10 30 EEEEHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000288698427 464056173 /nfs/dbraw/zinc/05/61/73/464056173.db2.gz XZOVXXICFHLKMG-JTQLQIEISA-N -1 3 339.364 2.024 10 30 EEEEHM COC(=O)c1csc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000282645951 464896959 /nfs/dbraw/zinc/89/69/59/464896959.db2.gz UKWLITIWHGGQGU-UHFFFAOYSA-N -1 3 342.442 2.143 10 30 EEEEHM N#C[C@@H]1CSCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000345357475 465860898 /nfs/dbraw/zinc/86/08/98/465860898.db2.gz UXXJOUPTMHZYTQ-LLVKDONJSA-N -1 3 341.230 2.165 10 30 EEEEHM N#CC(=C([O-])c1ccc2n[nH]c(=O)n2c1)c1nccc2ccccc21 ZINC000361540592 466086512 /nfs/dbraw/zinc/08/65/12/466086512.db2.gz JPHOZZUZAQDQPI-CQSZACIVSA-N -1 3 329.319 2.473 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000425180008 467087607 /nfs/dbraw/zinc/08/76/07/467087607.db2.gz RGQZFWYBBHFQIY-CABZTGNLSA-N -1 3 346.792 2.118 10 30 EEEEHM N#CC1(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000565635450 468135112 /nfs/dbraw/zinc/13/51/12/468135112.db2.gz WKCWYSMVPZAICJ-UHFFFAOYSA-N -1 3 346.184 2.324 10 30 EEEEHM Cc1ccc(CS(=O)(=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000600663498 468613815 /nfs/dbraw/zinc/61/38/15/468613815.db2.gz CIJFIPFNWDVLQN-UHFFFAOYSA-N -1 3 343.408 2.355 10 30 EEEEHM C=CCCCCCNC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000583151340 468652416 /nfs/dbraw/zinc/65/24/16/468652416.db2.gz AOWRYBYJXBJUOM-UHFFFAOYSA-N -1 3 345.490 2.202 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597859312 468696194 /nfs/dbraw/zinc/69/61/94/468696194.db2.gz UJHHXKFPQUHIER-CQSZACIVSA-N -1 3 344.459 2.197 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859311 468696456 /nfs/dbraw/zinc/69/64/56/468696456.db2.gz UJHHXKFPQUHIER-AWEZNQCLSA-N -1 3 344.459 2.197 10 30 EEEEHM N#CC1(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594869965 468713723 /nfs/dbraw/zinc/71/37/23/468713723.db2.gz WJKMGNDZEFFAFS-UHFFFAOYSA-N -1 3 337.401 2.488 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000598213951 468795493 /nfs/dbraw/zinc/79/54/93/468795493.db2.gz RCCHFCRFBDQWFG-RISCZKNCSA-N -1 3 331.416 2.282 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)Cc3cncc([O-])c3)CCOCC2)c1 ZINC000598247104 468805608 /nfs/dbraw/zinc/80/56/08/468805608.db2.gz YTLTXYMOEJIIDN-UHFFFAOYSA-N -1 3 337.379 2.023 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601521797 468905614 /nfs/dbraw/zinc/90/56/14/468905614.db2.gz XYLOACBJVHCTAK-SMDDNHRTSA-N -1 3 326.443 2.246 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)OCC12CCC2 ZINC000593316932 468937186 /nfs/dbraw/zinc/93/71/86/468937186.db2.gz MSOZIHCNUGXKKG-GFCCVEGCSA-N -1 3 343.427 2.378 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)nc1 ZINC000593530572 469018446 /nfs/dbraw/zinc/01/84/46/469018446.db2.gz ZQHDAKWSYXPKJT-UHFFFAOYSA-N -1 3 348.453 2.093 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000593592255 469050575 /nfs/dbraw/zinc/05/05/75/469050575.db2.gz SWLUZMWZGRBNQC-CYBMUJFWSA-N -1 3 326.443 2.247 10 30 EEEEHM CCN(Cc1c([O-])c(C)ncc1CO)c1nc2ncccc2cc1C#N ZINC000599091138 469116374 /nfs/dbraw/zinc/11/63/74/469116374.db2.gz OYWFCKGBNFKFRG-UHFFFAOYSA-N -1 3 349.394 2.429 10 30 EEEEHM C[C@]1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]2C[C@H]2C1 ZINC000599481360 469271448 /nfs/dbraw/zinc/27/14/48/469271448.db2.gz KVSKLXXYPBCIKJ-HBYGRHMLSA-N -1 3 335.385 2.181 10 30 EEEEHM C=CC[C@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000628486436 470111771 /nfs/dbraw/zinc/11/17/71/470111771.db2.gz IKPMSAASZMLRAR-NSHDSACASA-N -1 3 326.393 2.235 10 30 EEEEHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183502037 534160363 /nfs/dbraw/zinc/16/03/63/534160363.db2.gz NJEKUEGIAVXUAD-GFCCVEGCSA-N -1 3 341.864 2.364 10 30 EEEEHM Cn1[n-]ccc1=NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000774414421 577398103 /nfs/dbraw/zinc/39/81/03/577398103.db2.gz HREZLZBRCYCQGB-CQSZACIVSA-N -1 3 334.807 2.499 10 30 EEEEHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1C#N ZINC000775034489 577427316 /nfs/dbraw/zinc/42/73/16/577427316.db2.gz STFJCCDBJQRMJP-UHFFFAOYSA-N -1 3 343.339 2.479 10 30 EEEEHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)sc2nccn12 ZINC000769246786 577573240 /nfs/dbraw/zinc/57/32/40/577573240.db2.gz QDMHMILXJMNDAB-JTQLQIEISA-N -1 3 325.353 2.060 10 30 EEEEHM COc1ccc(NC(=S)NN=Cc2ccc([O-])cn2)cc1OC ZINC000755534325 577826477 /nfs/dbraw/zinc/82/64/77/577826477.db2.gz WAJMIRURKRIGAL-UHFFFAOYSA-N -1 3 332.385 2.125 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)c1ccc(C#N)s1 ZINC000750394519 577991341 /nfs/dbraw/zinc/99/13/41/577991341.db2.gz GKAQTVCTKJJZRQ-SNVBAGLBSA-N -1 3 344.396 2.005 10 30 EEEEHM N#CCn1c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc2ccccc21 ZINC000898213718 691896554 /nfs/dbraw/zinc/89/65/54/691896554.db2.gz ZNYGIEKCLLIGDT-ZDUSSCGKSA-N -1 3 335.367 2.223 10 30 EEEEHM C=CCC(F)(F)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233853 692113817 /nfs/dbraw/zinc/11/38/17/692113817.db2.gz SCOPGZYFPQBRBJ-NSHDSACASA-N -1 3 340.374 2.212 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001687332726 1177369819 /nfs/dbraw/zinc/36/98/19/1177369819.db2.gz KOSYROPOHMIEDZ-CABCVRRESA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCOCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001487368774 1197386342 /nfs/dbraw/zinc/38/63/42/1197386342.db2.gz OHBCXXMEFQUZPC-HUUCEWRRSA-N -1 3 346.427 2.142 10 30 EEEEHM CCc1ncc(S(=O)(=O)[N-][C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000867862764 1201695574 /nfs/dbraw/zinc/69/55/74/1201695574.db2.gz TUTBTMAVRPIBIE-ZDUSSCGKSA-N -1 3 333.438 2.023 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OCC ZINC000882645144 1201913159 /nfs/dbraw/zinc/91/31/59/1201913159.db2.gz WEOPDYSIRHIQBA-OAHLLOKOSA-N -1 3 341.429 2.013 10 30 EEEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000882848083 1201956710 /nfs/dbraw/zinc/95/67/10/1201956710.db2.gz YXWFJKXRFAVZSN-LBPRGKRZSA-N -1 3 327.377 2.486 10 30 EEEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000882849422 1201956859 /nfs/dbraw/zinc/95/68/59/1201956859.db2.gz IZDMFQRLLJHQSZ-QMMMGPOBSA-N -1 3 340.264 2.116 10 30 EEEEHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1nnc3ccccc3c1[O-])C2 ZINC001152566587 1316690641 /nfs/dbraw/zinc/69/06/41/1316690641.db2.gz YIKOPMPWDKXYHV-AWEZNQCLSA-N -1 3 330.347 2.104 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCCOCCN(C)C(=O)c1ccccc1[O-] ZINC001280913082 1324631232 /nfs/dbraw/zinc/63/12/32/1324631232.db2.gz PGKLASXHLLOAJZ-UHFFFAOYSA-N -1 3 348.443 2.199 10 30 EEEEHM C=CC[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)OCC ZINC001324092960 1333607457 /nfs/dbraw/zinc/60/74/57/1333607457.db2.gz FXOJRYHXRAEJSN-HNNXBMFYSA-N -1 3 325.430 2.231 10 30 EEEEHM C#CCSCC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001561277668 1342524933 /nfs/dbraw/zinc/52/49/33/1342524933.db2.gz JFDLRBWOSGYMPJ-UHFFFAOYSA-N -1 3 338.479 2.455 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](CCN(C)C(=O)c1cnc[n-]c1=O)C(C)C ZINC001571896534 1343330318 /nfs/dbraw/zinc/33/03/18/1343330318.db2.gz PJEVZZMAHQQXFK-HNNXBMFYSA-N -1 3 348.447 2.141 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001628370336 1352532226 /nfs/dbraw/zinc/53/22/26/1352532226.db2.gz OZLUMLQPNHSDHQ-CYBMUJFWSA-N -1 3 347.758 2.247 10 30 EEEEHM C=CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1ccncc1 ZINC001661616501 1354665656 /nfs/dbraw/zinc/66/56/56/1354665656.db2.gz WQKMGRZRYFOQRH-LLVKDONJSA-N -1 3 325.415 2.142 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)OCC ZINC000919726918 770234114 /nfs/dbraw/zinc/23/41/14/770234114.db2.gz RXVLPVYLBIXOGP-LLVKDONJSA-N -1 3 327.393 2.239 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847465 785787812 /nfs/dbraw/zinc/78/78/12/785787812.db2.gz RFVYHMTXSQCBQO-DLBZAZTESA-N -1 3 345.443 2.370 10 30 EEEEHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)c1 ZINC000791771612 809397299 /nfs/dbraw/zinc/39/72/99/809397299.db2.gz PGYUAXXQVOLOGZ-LBPRGKRZSA-N -1 3 344.396 2.112 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001565991650 1125487060 /nfs/dbraw/zinc/48/70/60/1125487060.db2.gz PGYYACRYJQJITI-FYCOFBDGSA-N -1 3 338.839 2.243 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001442661237 1097028434 /nfs/dbraw/zinc/02/84/34/1097028434.db2.gz VCVFOWIVGORWEV-UHFFFAOYSA-N -1 3 340.293 2.469 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001442661237 1097028438 /nfs/dbraw/zinc/02/84/38/1097028438.db2.gz VCVFOWIVGORWEV-UHFFFAOYSA-N -1 3 340.293 2.469 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001525768845 1120354325 /nfs/dbraw/zinc/35/43/25/1120354325.db2.gz MBVMYYCPBMLBBN-OAHLLOKOSA-N -1 3 328.412 2.020 10 30 EEEEHM C=C[C@@H](C)[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001526115501 1120441196 /nfs/dbraw/zinc/44/11/96/1120441196.db2.gz UBKORFJIZNGZBT-BOGLJMFRSA-N -1 3 328.412 2.037 10 30 EEEEHM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001536620771 1123746399 /nfs/dbraw/zinc/74/63/99/1123746399.db2.gz IWXQAMQYTCSZTB-RHSMWYFYSA-N -1 3 340.423 2.115 10 30 EEEEHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCCO)cc1Cl ZINC000052299989 214125510 /nfs/dbraw/zinc/12/55/10/214125510.db2.gz QKTFZBCZTCIVJE-ZANVPECISA-N -1 3 348.251 2.414 10 30 EEEEHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl ZINC000052299844 214125800 /nfs/dbraw/zinc/12/58/00/214125800.db2.gz GWSZSNHSBJWXRE-PELKAZGASA-N -1 3 334.224 2.024 10 30 EEEEHM COc1ccc(C=Nn2cc([O-])c(-c3ccccc3)c2N)cc1OC ZINC000027232643 202152980 /nfs/dbraw/zinc/15/29/80/202152980.db2.gz UZRLFIWDVINPHV-SRZZPIQSSA-N -1 3 337.379 2.250 10 30 EEEEHM CCc1noc(C)c1C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000339005828 238190146 /nfs/dbraw/zinc/19/01/46/238190146.db2.gz CBSCWMRVEXRXKT-UHFFFAOYSA-N -1 3 325.434 2.439 10 30 EEEEHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4c(cn3)nc[nH]c4=O)nc21 ZINC000426869027 241348909 /nfs/dbraw/zinc/34/89/09/241348909.db2.gz MWMKADKBYXFFQP-NSHDSACASA-N -1 3 344.334 2.405 10 30 EEEEHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)CCO1 ZINC000451820130 243278539 /nfs/dbraw/zinc/27/85/39/243278539.db2.gz XQEYFCHTXBCDEN-WCQYABFASA-N -1 3 328.459 2.349 10 30 EEEEHM COc1ccc(-c2nc(Sc3cnc(C#N)cn3)n[n-]2)c(OC)c1 ZINC000355337021 163151328 /nfs/dbraw/zinc/15/13/28/163151328.db2.gz FONQVMGIAAFQAC-UHFFFAOYSA-N -1 3 340.368 2.302 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cn1 ZINC000376520245 167342893 /nfs/dbraw/zinc/34/28/93/167342893.db2.gz XKWPKQAWHZFBLG-UHFFFAOYSA-N -1 3 326.266 2.269 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cn1 ZINC000376520245 167342895 /nfs/dbraw/zinc/34/28/95/167342895.db2.gz XKWPKQAWHZFBLG-UHFFFAOYSA-N -1 3 326.266 2.269 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cn1 ZINC000376520245 167342896 /nfs/dbraw/zinc/34/28/96/167342896.db2.gz XKWPKQAWHZFBLG-UHFFFAOYSA-N -1 3 326.266 2.269 10 30 EEEEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000163556752 311384787 /nfs/dbraw/zinc/38/47/87/311384787.db2.gz WHPVURCTUFFPJP-INIZCTEOSA-N -1 3 342.436 2.304 10 30 EEEEHM CC(C)c1nc(C2([N-]S(=O)(=O)CCCC#N)CCCC2)no1 ZINC000177609907 463748099 /nfs/dbraw/zinc/74/80/99/463748099.db2.gz YUSBAFPTUVMCHV-UHFFFAOYSA-N -1 3 326.422 2.185 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000186667255 464046039 /nfs/dbraw/zinc/04/60/39/464046039.db2.gz JQYCEAOFMHIMFW-QMMMGPOBSA-N -1 3 340.264 2.034 10 30 EEEEHM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)N1CCC1 ZINC000350021901 466354280 /nfs/dbraw/zinc/35/42/80/466354280.db2.gz YBRIMDKOUMXMCK-UHFFFAOYSA-N -1 3 330.369 2.108 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000594485898 468604764 /nfs/dbraw/zinc/60/47/64/468604764.db2.gz CMSWPYJFZXUFBB-WCQYABFASA-N -1 3 348.346 2.337 10 30 EEEEHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(C)C ZINC000594489988 468606870 /nfs/dbraw/zinc/60/68/70/468606870.db2.gz RETYNWMVAQYITD-NSHDSACASA-N -1 3 344.458 2.264 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000583199513 468660838 /nfs/dbraw/zinc/66/08/38/468660838.db2.gz SDWKVTUTDVEXMB-NHYWBVRUSA-N -1 3 330.359 2.297 10 30 EEEEHM COC1CC(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000594790952 468686279 /nfs/dbraw/zinc/68/62/79/468686279.db2.gz ZIYYYZHBKRAEEK-UHFFFAOYSA-N -1 3 328.821 2.305 10 30 EEEEHM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000594869831 468712692 /nfs/dbraw/zinc/71/26/92/468712692.db2.gz HSWRIAAZXNLCMW-UHFFFAOYSA-N -1 3 336.442 2.099 10 30 EEEEHM Cn1c(C([O-])=C(C#N)c2nc3ccccc3o2)c2n(c1=O)CCCC2 ZINC000572355755 468920441 /nfs/dbraw/zinc/92/04/41/468920441.db2.gz FYTIQBRYTHCVBG-LLVKDONJSA-N -1 3 336.351 2.154 10 30 EEEEHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593535360 469022747 /nfs/dbraw/zinc/02/27/47/469022747.db2.gz XUWRZZZAKCVTGS-CQSZACIVSA-N -1 3 349.481 2.071 10 30 EEEEHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)C ZINC000593544017 469027701 /nfs/dbraw/zinc/02/77/01/469027701.db2.gz KLHZREXEVVNHCT-NSHDSACASA-N -1 3 344.458 2.264 10 30 EEEEHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557824 469033827 /nfs/dbraw/zinc/03/38/27/469033827.db2.gz FTPXUEVRHQRIKO-FZMZJTMJSA-N -1 3 328.459 2.349 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000593564518 469038658 /nfs/dbraw/zinc/03/86/58/469038658.db2.gz TYYSZTNMNTUYNT-LLVKDONJSA-N -1 3 326.443 2.390 10 30 EEEEHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593568042 469039872 /nfs/dbraw/zinc/03/98/72/469039872.db2.gz TXHXFFFEPBOIEH-QMTHXVAHSA-N -1 3 342.442 2.020 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)NCC2(C#N)CCCC2)c([O-])c1 ZINC000593773684 469132424 /nfs/dbraw/zinc/13/24/24/469132424.db2.gz NGVWXYOTHRTLGA-UHFFFAOYSA-N -1 3 329.400 2.021 10 30 EEEEHM C=CCCCCCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000563355228 469235649 /nfs/dbraw/zinc/23/56/49/469235649.db2.gz ISYALBVDKOKICD-UHFFFAOYSA-N -1 3 329.400 2.355 10 30 EEEEHM CC#CCC[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625113669 470078638 /nfs/dbraw/zinc/07/86/38/470078638.db2.gz QCXLYEHKQNILGN-UHFFFAOYSA-N -1 3 337.319 2.286 10 30 EEEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000632641076 470254661 /nfs/dbraw/zinc/25/46/61/470254661.db2.gz QOWBJMGCKNFIPK-UHFFFAOYSA-N -1 3 331.463 2.372 10 30 EEEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000660142976 471880562 /nfs/dbraw/zinc/88/05/62/471880562.db2.gz NLOLLHRDLURDEE-UHFFFAOYSA-N -1 3 328.434 2.313 10 30 EEEEHM Cn1[n-]ccc1=NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000774410069 577398094 /nfs/dbraw/zinc/39/80/94/577398094.db2.gz KWDYKMDDRPJMSU-UHFFFAOYSA-N -1 3 328.376 2.187 10 30 EEEEHM CCOC(=O)[C@H](CCOC(C)(C)C)/N=C/c1ccc(O)c([O-])c1O ZINC000776257307 577455883 /nfs/dbraw/zinc/45/58/83/577455883.db2.gz KEOUIKSXNSFIJS-NNLQFVHNSA-N -1 3 339.388 2.359 10 30 EEEEHM O=C1N=C(NN=Cc2c(Cl)cccc2Oc2ccccc2)[N-]C1=O ZINC000769588344 577580920 /nfs/dbraw/zinc/58/09/20/577580920.db2.gz FMKQERAPIWSLMN-UHFFFAOYSA-N -1 3 342.742 2.068 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@H]2COC3(CCCCC3)O2)CCCC1 ZINC000759077362 577636678 /nfs/dbraw/zinc/63/66/78/577636678.db2.gz YMOORTQJKIWXDA-AWEZNQCLSA-N -1 3 342.461 2.066 10 30 EEEEHM C[C@@H](CC(=O)OCC1CC=CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000750356161 577990870 /nfs/dbraw/zinc/99/08/70/577990870.db2.gz BKBGALLAVZWIKM-LBPRGKRZSA-N -1 3 348.424 2.013 10 30 EEEEHM CCOC(=O)C1(C(=O)N([O-])Cc2ccccc2Cl)CCOCC1 ZINC000904193203 694324767 /nfs/dbraw/zinc/32/47/67/694324767.db2.gz LODIYJGHQFPIIG-UHFFFAOYSA-N -1 3 341.791 2.418 10 30 EEEEHM O=C(c1cn(C[C@@H]2CCOC2)nn1)N([O-])CCCCc1ccccc1 ZINC000904195339 694325671 /nfs/dbraw/zinc/32/56/71/694325671.db2.gz BXODCPSKFQLWIR-INIZCTEOSA-N -1 3 344.415 2.169 10 30 EEEEHM O=C(C[C@H]1CCCS(=O)(=O)C1)N([O-])CCCCc1ccccc1 ZINC000904196576 694326279 /nfs/dbraw/zinc/32/62/79/694326279.db2.gz YNIZCGIAYMMOOW-MRXNPFEDSA-N -1 3 339.457 2.442 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N(CCCNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001745603472 1182211465 /nfs/dbraw/zinc/21/14/65/1182211465.db2.gz WCMBEGPYDNTRNQ-AWEZNQCLSA-N -1 3 348.447 2.141 10 30 EEEEHM C#CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nccs1 ZINC001126731653 1187426324 /nfs/dbraw/zinc/42/63/24/1187426324.db2.gz HWYBVTZXWOKZMY-UHFFFAOYSA-N -1 3 340.408 2.331 10 30 EEEEHM C=CCC(C)(C)C(=O)N(C)CC[C@@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001487063840 1197173576 /nfs/dbraw/zinc/17/35/76/1197173576.db2.gz PKLKTPSXAUOMRQ-CYBMUJFWSA-N -1 3 335.452 2.010 10 30 EEEEHM C#CCN(Cc1ccc(F)cc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878001558 1200206739 /nfs/dbraw/zinc/20/67/39/1200206739.db2.gz UWAAJZKSVQODDH-UHFFFAOYSA-N -1 3 327.359 2.029 10 30 EEEEHM C#CCOc1ccc([C@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000866628550 1201563137 /nfs/dbraw/zinc/56/31/37/1201563137.db2.gz OYIBOOBCGJOYCM-ZDUSSCGKSA-N -1 3 339.395 2.118 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCCC1CCOCC1)C(=O)OCC ZINC000882645243 1201913265 /nfs/dbraw/zinc/91/32/65/1201913265.db2.gz NMECKPIDTXHDOD-HNNXBMFYSA-N -1 3 347.477 2.011 10 30 EEEEHM Cc1nnc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)n1C1CC1 ZINC000901349648 1235586946 /nfs/dbraw/zinc/58/69/46/1235586946.db2.gz VHHQKPHSHZDZOW-UHFFFAOYSA-N -1 3 331.326 2.201 10 30 EEEEHM N#C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CCN1C1CC1 ZINC000857121726 1293724961 /nfs/dbraw/zinc/72/49/61/1293724961.db2.gz CXRZSDMJMZECMJ-ZDUSSCGKSA-N -1 3 339.317 2.223 10 30 EEEEHM Cc1cc([O-])c(C=NNC(=S)NC[C@@H]2CCCO2)c(Cl)c1 ZINC000841607487 1315586107 /nfs/dbraw/zinc/58/61/07/1315586107.db2.gz GOFNPAAZHUZOBH-JTQLQIEISA-N -1 3 327.837 2.331 10 30 EEEEHM C[C@@H](CNC(=O)c1ncccc1[O-])NCC#Cc1ccccc1Cl ZINC001265769312 1323371072 /nfs/dbraw/zinc/37/10/72/1323371072.db2.gz SKEBCKRYBVZCCG-ZDUSSCGKSA-N -1 3 343.814 2.200 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nn1 ZINC001280337791 1324160928 /nfs/dbraw/zinc/16/09/28/1324160928.db2.gz ZAKZWXGZLFRDTQ-AATRIKPKSA-N -1 3 328.357 2.331 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NC(=O)c1cccc2n[n-]nc21 ZINC001285098215 1326865273 /nfs/dbraw/zinc/86/52/73/1326865273.db2.gz YAAFLSPVMDHSQY-SGTLLEGYSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCCC(=O)NCCN(CC)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001296276028 1329878760 /nfs/dbraw/zinc/87/87/60/1329878760.db2.gz FGBWEMSNTSENBZ-UHFFFAOYSA-N -1 3 341.411 2.073 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC(F)(F)CC[C@H]1C ZINC001339014843 1336945109 /nfs/dbraw/zinc/94/51/09/1336945109.db2.gz MJWROEHAHJBOLJ-SECBINFHSA-N -1 3 325.319 2.449 10 30 EEEEHM C#Cc1ccc(C(=O)NC/C=C\CNC(=O)c2ccccc2[O-])cc1 ZINC001357592843 1339004844 /nfs/dbraw/zinc/00/48/44/1339004844.db2.gz RSEJJKCQSUWHNF-WAYWQWQTSA-N -1 3 334.375 2.090 10 30 EEEEHM CC(C)[C@H](CC(F)(F)F)NCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001413981460 1339046986 /nfs/dbraw/zinc/04/69/86/1339046986.db2.gz QIJXFTCQHNZWGN-NSHDSACASA-N -1 3 327.310 2.373 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001647016091 1353107358 /nfs/dbraw/zinc/10/73/58/1353107358.db2.gz NKIJRQGIZMSNNL-PBHICJAKSA-N -1 3 343.427 2.236 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001648508595 1353431744 /nfs/dbraw/zinc/43/17/44/1353431744.db2.gz RDFWVUMNSYDDIP-YXWQFLTLSA-N -1 3 331.416 2.306 10 30 EEEEHM CC(C)[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1ccccc1[O-] ZINC001679708519 1357740670 /nfs/dbraw/zinc/74/06/70/1357740670.db2.gz NEMNWYSCINBMBD-MRXNPFEDSA-N -1 3 328.412 2.066 10 30 EEEEHM C#CC[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000843677052 770054274 /nfs/dbraw/zinc/05/42/74/770054274.db2.gz DHABOZRGRLPESG-OAHLLOKOSA-N -1 3 325.412 2.470 10 30 EEEEHM C=CCCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908756396 785703523 /nfs/dbraw/zinc/70/35/23/785703523.db2.gz IJKIVPFZTKESJA-IRXDYDNUSA-N -1 3 345.443 2.370 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000820179655 785823827 /nfs/dbraw/zinc/82/38/27/785823827.db2.gz NEHGNGWVBIUECO-GFCCVEGCSA-N -1 3 345.424 2.138 10 30 EEEEHM O=C1Nc2cc([O-])ccc2C1=NNC(=S)Nc1ccc(F)cc1 ZINC000915942853 797460411 /nfs/dbraw/zinc/46/04/11/797460411.db2.gz LAZRJUUONNEMHS-UHFFFAOYSA-N -1 3 330.344 2.174 10 30 EEEEHM Cc1c(Br)c(C)n(N=Cc2ccc([O-])cn2)c(=O)c1C#N ZINC000788453949 807532095 /nfs/dbraw/zinc/53/20/95/807532095.db2.gz IDZCIFFKYZIBQX-UHFFFAOYSA-N -1 3 347.172 2.082 10 30 EEEEHM O=C(CN1C(=O)COc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001458002463 1109821924 /nfs/dbraw/zinc/82/19/24/1109821924.db2.gz MQXOWZVDUXVQCR-UHFFFAOYSA-N -1 3 346.770 2.483 10 30 EEEEHM COC[C@@](C)(C#N)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001465849194 1110424791 /nfs/dbraw/zinc/42/47/91/1110424791.db2.gz ROOARRIJCCKPAO-CQSZACIVSA-N -1 3 340.405 2.149 10 30 EEEEHM Cc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)c(Sc2ccccc2)n1 ZINC001468372799 1110473387 /nfs/dbraw/zinc/47/33/87/1110473387.db2.gz JSZHSSJEOJQCQR-AWEZNQCLSA-N -1 3 343.408 2.261 10 30 EEEEHM C=CCNc1ncc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)s1 ZINC001471678029 1110528432 /nfs/dbraw/zinc/52/84/32/1110528432.db2.gz VSLKJIWQOXGKJO-UHFFFAOYSA-N -1 3 343.412 2.270 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001500483729 1112872585 /nfs/dbraw/zinc/87/25/85/1112872585.db2.gz HSVFHEFWNMYTDR-ACJLOTCBSA-N -1 3 348.447 2.045 10 30 EEEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnccc3C#N)nc21 ZINC001539390443 1124055622 /nfs/dbraw/zinc/05/56/22/1124055622.db2.gz YALUVDUHEWDMSS-UHFFFAOYSA-N -1 3 335.323 2.259 10 30 EEEEHM C[C@@]1(C[C@H]2CCCN2c2cc(C#N)c3ccccc3n2)NC(=O)[N-]C1=O ZINC000553634940 318537263 /nfs/dbraw/zinc/53/72/63/318537263.db2.gz FJJODACWUYWFLL-YJYMSZOUSA-N -1 3 349.394 2.063 10 30 EEEEHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(F)c1 ZINC000355836321 465275163 /nfs/dbraw/zinc/27/51/63/465275163.db2.gz RYSSRZKUIRHNCE-UHFFFAOYSA-N -1 3 348.355 2.479 10 30 EEEEHM C=CCCCN(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000076735632 462905463 /nfs/dbraw/zinc/90/54/63/462905463.db2.gz VVQBBWUBXYGGEO-UHFFFAOYSA-N -1 3 335.429 2.478 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2(C)C)ccc1F ZINC000077352899 462972212 /nfs/dbraw/zinc/97/22/12/462972212.db2.gz WLUQXRUPNFVVLX-UHFFFAOYSA-N -1 3 340.420 2.305 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000185647090 463855364 /nfs/dbraw/zinc/85/53/64/463855364.db2.gz JHOGFBATMOJGPD-UHFFFAOYSA-N -1 3 340.401 2.188 10 30 EEEEHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000548146364 468430404 /nfs/dbraw/zinc/43/04/04/468430404.db2.gz WZTGIQMIARQXLI-UHFFFAOYSA-N -1 3 346.836 2.336 10 30 EEEEHM N#CC1(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCC1 ZINC000347027781 466332359 /nfs/dbraw/zinc/33/23/59/466332359.db2.gz RRNNLAIABAIUEY-UHFFFAOYSA-N -1 3 346.184 2.467 10 30 EEEEHM CC#CCN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000341054260 466545515 /nfs/dbraw/zinc/54/55/15/466545515.db2.gz XSUKLPJPNDQCJX-UHFFFAOYSA-N -1 3 333.185 2.386 10 30 EEEEHM CC#CCN(C)C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000341054260 466545520 /nfs/dbraw/zinc/54/55/20/466545520.db2.gz XSUKLPJPNDQCJX-UHFFFAOYSA-N -1 3 333.185 2.386 10 30 EEEEHM CC1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000376844465 466941698 /nfs/dbraw/zinc/94/16/98/466941698.db2.gz KFQJAPITHNRQQO-HNNXBMFYSA-N -1 3 341.411 2.149 10 30 EEEEHM N#CCc1ccc(CS(=O)(=O)[N-]c2cnc(CC3CC3)nc2)cc1 ZINC000584839236 468946742 /nfs/dbraw/zinc/94/67/42/468946742.db2.gz JHIQXFBRTPSHAQ-UHFFFAOYSA-N -1 3 342.424 2.437 10 30 EEEEHM CC(C)(C)c1cc(CS(=O)(=O)[N-]CC2(C#N)CCCC2)no1 ZINC000593623404 469063017 /nfs/dbraw/zinc/06/30/17/469063017.db2.gz KCFVXTYZULYBDE-UHFFFAOYSA-N -1 3 325.434 2.475 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599482536 469272570 /nfs/dbraw/zinc/27/25/70/469272570.db2.gz QFPOCFLROMDPSS-CHWSQXEVSA-N -1 3 326.805 2.057 10 30 EEEEHM C=CC(C)(C)CCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000626471344 469619719 /nfs/dbraw/zinc/61/97/19/469619719.db2.gz AIBFMDVRYGHEMA-CQSZACIVSA-N -1 3 344.415 2.161 10 30 EEEEHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000438469333 534351055 /nfs/dbraw/zinc/35/10/55/534351055.db2.gz VTJZEYCYKWPCHH-KZULUSFZSA-N -1 3 342.395 2.248 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCN(c3ccccc3)C2=O)c1[O-] ZINC000733903641 577263357 /nfs/dbraw/zinc/26/33/57/577263357.db2.gz NPBJWTPKIMETIZ-BYINCCNUSA-N -1 3 339.395 2.202 10 30 EEEEHM CC(C)(C#N)CCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000776375569 577458498 /nfs/dbraw/zinc/45/84/98/577458498.db2.gz NZCDUVLFDXILGD-AWEZNQCLSA-N -1 3 330.384 2.480 10 30 EEEEHM CC(C)(C)c1ccc(-c2ccc(C=NNC3=NC(=O)C(=O)[N-]3)o2)cc1 ZINC000765591712 577503663 /nfs/dbraw/zinc/50/36/63/577503663.db2.gz DMJVXXUYUBVORK-UHFFFAOYSA-N -1 3 338.367 2.180 10 30 EEEEHM C[C@H](CC(=O)OCC1CC=CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000750356159 577990899 /nfs/dbraw/zinc/99/08/99/577990899.db2.gz BKBGALLAVZWIKM-GFCCVEGCSA-N -1 3 348.424 2.013 10 30 EEEEHM C=CCCCN(C)CC(=O)N=c1cc[n-]n1Cc1cccc(C)c1 ZINC000736623259 578215415 /nfs/dbraw/zinc/21/54/15/578215415.db2.gz JLHQHJWIXJZKAE-UHFFFAOYSA-N -1 3 326.444 2.498 10 30 EEEEHM CCCCC[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC ZINC000914230517 683388937 /nfs/dbraw/zinc/38/89/37/683388937.db2.gz LDBBLONCPYQXAW-ZDUSSCGKSA-N -1 3 344.458 2.161 10 30 EEEEHM C=CCC1(C(=O)N2CCC(NC(=O)c3cn[n-]n3)CC2)CCCCC1 ZINC001687288718 1177268272 /nfs/dbraw/zinc/26/82/72/1177268272.db2.gz KVFCBSVKJLORNH-UHFFFAOYSA-N -1 3 345.447 2.052 10 30 EEEEHM CC#CCCCC(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001487443789 1197493783 /nfs/dbraw/zinc/49/37/83/1197493783.db2.gz AIMBLVZVKDTVIG-SHTZXODSSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875711081 1199356524 /nfs/dbraw/zinc/35/65/24/1199356524.db2.gz VHLUYFRUOCNKLY-QWHCGFSZSA-N -1 3 347.381 2.441 10 30 EEEEHM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000880656756 1201553000 /nfs/dbraw/zinc/55/30/00/1201553000.db2.gz ZYJNMHHGAFSGMT-HNNXBMFYSA-N -1 3 337.379 2.320 10 30 EEEEHM N#Cc1ccccc1N1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000867611431 1201643321 /nfs/dbraw/zinc/64/33/21/1201643321.db2.gz JQJYFUIJZVTQLU-UHFFFAOYSA-N -1 3 331.397 2.099 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1cccs1)C(=O)OCC ZINC000882644716 1201912803 /nfs/dbraw/zinc/91/28/03/1201912803.db2.gz PNZGIPOPHVRVHE-ZDUSSCGKSA-N -1 3 331.459 2.108 10 30 EEEEHM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC001213680806 1296134852 /nfs/dbraw/zinc/13/48/52/1296134852.db2.gz YWDKVVXYVXPRPB-NSHDSACASA-N -1 3 332.878 2.086 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)CCc2nc(-c3ccccn3)no2)c1 ZINC001302371096 1331325832 /nfs/dbraw/zinc/32/58/32/1331325832.db2.gz CVRNNVMGEMTGKC-UHFFFAOYSA-N -1 3 335.323 2.046 10 30 EEEEHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1Cc1ccncc1 ZINC001611666791 1352303610 /nfs/dbraw/zinc/30/36/10/1352303610.db2.gz BFZZCXXPWQNKJG-UHFFFAOYSA-N -1 3 341.346 2.201 10 30 EEEEHM C=C(C)[C@@H](CC(=O)NC[C@@H](C)N(C)C(=O)c1ccccc1[O-])OCC ZINC001678195852 1357481593 /nfs/dbraw/zinc/48/15/93/1357481593.db2.gz DJFWCXBHIIOBLL-RHSMWYFYSA-N -1 3 348.443 2.340 10 30 EEEEHM N#Cc1c[nH]c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001598435808 1349939217 /nfs/dbraw/zinc/93/92/17/1349939217.db2.gz YUVBSKCCTCOVJG-UHFFFAOYSA-N -1 3 329.323 2.472 10 30 EEEEHM N#Cc1c[nH]c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001598435808 1349939220 /nfs/dbraw/zinc/93/92/20/1349939220.db2.gz YUVBSKCCTCOVJG-UHFFFAOYSA-N -1 3 329.323 2.472 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(C#N)c3C)c2c1=O ZINC001651095559 1354039778 /nfs/dbraw/zinc/03/97/78/1354039778.db2.gz OPNASXMURQKLBG-UHFFFAOYSA-N -1 3 335.367 2.485 10 30 EEEEHM C=C[C@H](COC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001655062559 1354163888 /nfs/dbraw/zinc/16/38/88/1354163888.db2.gz SUMGMWLSRZLUPP-MRVPVSSYSA-N -1 3 332.834 2.429 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1ccc(C)cc1)C(=O)OCC ZINC001656679775 1354264104 /nfs/dbraw/zinc/26/41/04/1354264104.db2.gz JOVQFVVYOYZPMJ-INIZCTEOSA-N -1 3 339.457 2.355 10 30 EEEEHM C=CCn1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC001212241502 770047230 /nfs/dbraw/zinc/04/72/30/770047230.db2.gz JSQDCFABUXMMAM-UHFFFAOYSA-N -1 3 347.227 2.249 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908858111 785797611 /nfs/dbraw/zinc/79/76/11/785797611.db2.gz GOADIISDEMMFJZ-CVEARBPZSA-N -1 3 333.432 2.316 10 30 EEEEHM N#Cc1c([N-]C(=O)c2nc(Cl)ccc2F)ncc2c1COCC2 ZINC001461015953 1110332484 /nfs/dbraw/zinc/33/24/84/1110332484.db2.gz QARMJVKMXVIKBN-UHFFFAOYSA-N -1 3 332.722 2.466 10 30 EEEEHM C#CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001471810905 1110531611 /nfs/dbraw/zinc/53/16/11/1110531611.db2.gz HZVGFZLBLLDMDU-UHFFFAOYSA-N -1 3 337.379 2.392 10 30 EEEEHM C=C1CCC(C(=O)N(C)CC[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)CC1 ZINC001506492150 1114647451 /nfs/dbraw/zinc/64/74/51/1114647451.db2.gz WSAHUPLZRJWIMV-OAHLLOKOSA-N -1 3 349.479 2.219 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001508558628 1115558581 /nfs/dbraw/zinc/55/85/81/1115558581.db2.gz AWWIGASNXADDBX-NWDGAFQWSA-N -1 3 343.431 2.183 10 30 EEEEHM C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001512140651 1118422019 /nfs/dbraw/zinc/42/20/19/1118422019.db2.gz VNHWHIKMAIAQNR-LSDHHAIUSA-N -1 3 346.427 2.094 10 30 EEEEHM COCC1(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000580307945 324035991 /nfs/dbraw/zinc/03/59/91/324035991.db2.gz KEFZENJOZPJERL-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000127720057 462576886 /nfs/dbraw/zinc/57/68/86/462576886.db2.gz PLSVUCSIZAJCKM-DZGCQCFKSA-N -1 3 340.420 2.307 10 30 EEEEHM Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)c(C#N)c(C)n1 ZINC000119997839 462950392 /nfs/dbraw/zinc/95/03/92/462950392.db2.gz YLKYOTMJRKLRNW-UHFFFAOYSA-N -1 3 336.442 2.022 10 30 EEEEHM Cc1nc([N-]C(=O)c2nnn(C(C)(C)C)n2)sc1SCC#N ZINC000597047283 468426902 /nfs/dbraw/zinc/42/69/02/468426902.db2.gz QAWFHRZDIKIROV-UHFFFAOYSA-N -1 3 337.434 2.061 10 30 EEEEHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccnc(C#N)c1 ZINC000359505179 465419674 /nfs/dbraw/zinc/41/96/74/465419674.db2.gz KMZSIQGZDUCGPG-UHFFFAOYSA-N -1 3 338.758 2.076 10 30 EEEEHM N#C[C@@H]1CN(Cc2cc([O-])ccc2Br)CCN1C1CC1 ZINC000371327648 465716730 /nfs/dbraw/zinc/71/67/30/465716730.db2.gz OMUNKNHBDHPTNJ-CYBMUJFWSA-N -1 3 336.233 2.327 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c1 ZINC000313795938 466544675 /nfs/dbraw/zinc/54/46/75/466544675.db2.gz LAQQUKRBUWAAPC-NWDGAFQWSA-N -1 3 328.821 2.041 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000350625098 466549428 /nfs/dbraw/zinc/54/94/28/466549428.db2.gz FBFHNDTYTVWYLN-VMPITWQZSA-N -1 3 343.364 2.458 10 30 EEEEHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525928109 467646020 /nfs/dbraw/zinc/64/60/20/467646020.db2.gz BFWFPXBMQTVFIZ-UHFFFAOYSA-N -1 3 349.394 2.427 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000594789985 468685851 /nfs/dbraw/zinc/68/58/51/468685851.db2.gz OWMZZXAABXVMRR-MNOVXSKESA-N -1 3 344.458 2.343 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594850262 468704153 /nfs/dbraw/zinc/70/41/53/468704153.db2.gz NIRNUZPAWVBOPH-UHFFFAOYSA-N -1 3 334.781 2.119 10 30 EEEEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1F ZINC000572771769 468989986 /nfs/dbraw/zinc/98/99/86/468989986.db2.gz UEKXSEAJTPWHDW-IUODEOHRSA-N -1 3 340.420 2.251 10 30 EEEEHM C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593536093 469023547 /nfs/dbraw/zinc/02/35/47/469023547.db2.gz KMQLTVVBPHNQPA-GFCCVEGCSA-N -1 3 347.465 2.349 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599483747 469272490 /nfs/dbraw/zinc/27/24/90/469272490.db2.gz WCNHNMOYAJBMQJ-GXFFZTMASA-N -1 3 326.805 2.057 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000350005035 527103045 /nfs/dbraw/zinc/10/30/45/527103045.db2.gz CVEKKMCSOGTGGX-QMMMGPOBSA-N -1 3 340.228 2.217 10 30 EEEEHM Cn1[n-]ccc1=NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000774414420 577398033 /nfs/dbraw/zinc/39/80/33/577398033.db2.gz HREZLZBRCYCQGB-AWEZNQCLSA-N -1 3 334.807 2.499 10 30 EEEEHM C=CCN(CC=C)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897592580 691656692 /nfs/dbraw/zinc/65/66/92/691656692.db2.gz XSPHCIQHKYENRF-CQSZACIVSA-N -1 3 345.447 2.268 10 30 EEEEHM C=CC(C)(C)CC(=O)N(C)C1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001269794621 1184625779 /nfs/dbraw/zinc/62/57/79/1184625779.db2.gz SIADQSKZZVZYBI-UHFFFAOYSA-N -1 3 344.459 2.305 10 30 EEEEHM C=CCCCC(=O)NC[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001276916857 1300251179 /nfs/dbraw/zinc/25/11/79/1300251179.db2.gz YHZOHKGBRQZQLM-OAHLLOKOSA-N -1 3 330.432 2.106 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001284146180 1326434075 /nfs/dbraw/zinc/43/40/75/1326434075.db2.gz TXNPIGGSLDJHJO-MKVSYHDVSA-N -1 3 328.412 2.181 10 30 EEEEHM COc1ccccc1Nc1ccccc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC001298427955 1330076846 /nfs/dbraw/zinc/07/68/46/1330076846.db2.gz YGAXFPUYQQMPKG-OAHLLOKOSA-N -1 3 341.367 2.159 10 30 EEEEHM C=CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001333934494 1336176764 /nfs/dbraw/zinc/17/67/64/1336176764.db2.gz LTDFWXATKMYXHT-RYUDHWBXSA-N -1 3 346.431 2.039 10 30 EEEEHM C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)n1cnc(C#N)n1 ZINC001559030729 1342496300 /nfs/dbraw/zinc/49/63/00/1342496300.db2.gz FCYGFLMBJWCDCZ-QMMMGPOBSA-N -1 3 340.170 2.436 10 30 EEEEHM C=CC(C)(C)C(=O)N(CC)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001577555230 1344163235 /nfs/dbraw/zinc/16/32/35/1344163235.db2.gz NYRBCWOINMUZCT-UHFFFAOYSA-N -1 3 343.431 2.139 10 30 EEEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001669693124 1356196085 /nfs/dbraw/zinc/19/60/85/1356196085.db2.gz WODCHTJTBYEKPP-AWEZNQCLSA-N -1 3 347.396 2.456 10 30 EEEEHM C=C[C@](C)(O)CC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001680920943 1357930252 /nfs/dbraw/zinc/93/02/52/1357930252.db2.gz WGKMBWMROZIKOA-IBGZPJMESA-N -1 3 348.443 2.028 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccccc1 ZINC001212294071 775259560 /nfs/dbraw/zinc/25/95/60/775259560.db2.gz AHYPVZZCYBFDBU-LBPRGKRZSA-N -1 3 335.406 2.188 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc(Cl)c1Br ZINC000820185655 785828007 /nfs/dbraw/zinc/82/80/07/785828007.db2.gz PMAIOTYMPITUIG-SECBINFHSA-N -1 3 347.596 2.131 10 30 EEEEHM C=CCN1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])CC1 ZINC000908947039 785869425 /nfs/dbraw/zinc/86/94/25/785869425.db2.gz YREIKNKJNWNBNH-HNNXBMFYSA-N -1 3 345.443 2.322 10 30 EEEEHM CN(CCNC(=O)c1ccccc1[O-])Cc1cc(F)ccc1C#N ZINC001437429991 1089728670 /nfs/dbraw/zinc/72/86/70/1089728670.db2.gz HPVQQVQYTATEHE-UHFFFAOYSA-N -1 3 327.359 2.265 10 30 EEEEHM COC(=O)c1cc(NC(=O)c2cc(C#N)oc2C)c([O-])c(OC)c1 ZINC001456745556 1109284467 /nfs/dbraw/zinc/28/44/67/1109284467.db2.gz LHJOXUPOJGISPB-UHFFFAOYSA-N -1 3 330.296 2.213 10 30 EEEEHM C#CCN1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001464496487 1110395563 /nfs/dbraw/zinc/39/55/63/1110395563.db2.gz MEVLFAQZBYNXPJ-LLVKDONJSA-N -1 3 347.267 2.369 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001468374836 1110473535 /nfs/dbraw/zinc/47/35/35/1110473535.db2.gz YPQYDSYFYGSQDU-AWEZNQCLSA-N -1 3 347.758 2.247 10 30 EEEEHM C#CCN(C(=O)[C@@H](F)CC)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001506350845 1114560313 /nfs/dbraw/zinc/56/03/13/1114560313.db2.gz WBNSOHIPXBSXSL-INIZCTEOSA-N -1 3 346.402 2.207 10 30 EEEEHM C#CCN(C(=O)/C(C)=C\C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001536632080 1123750943 /nfs/dbraw/zinc/75/09/43/1123750943.db2.gz VJZLKKNGSKRHHD-WCSRMQSCSA-N -1 3 340.423 2.425 10 30 EEEEHM N#Cc1ccc(C2(C(=O)NCc3nnc(C(F)(F)F)[n-]3)CC2)cc1 ZINC000444341605 268210039 /nfs/dbraw/zinc/21/00/39/268210039.db2.gz VQBVTWKFCPMPNS-UHFFFAOYSA-N -1 3 335.289 2.043 10 30 EEEEHM N#Cc1ccc(C2(C(=O)NCc3n[n-]c(C(F)(F)F)n3)CC2)cc1 ZINC000444341605 268210042 /nfs/dbraw/zinc/21/00/42/268210042.db2.gz VQBVTWKFCPMPNS-UHFFFAOYSA-N -1 3 335.289 2.043 10 30 EEEEHM N#Cc1ccc(C2(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CC2)cc1 ZINC000444341605 268210045 /nfs/dbraw/zinc/21/00/45/268210045.db2.gz VQBVTWKFCPMPNS-UHFFFAOYSA-N -1 3 335.289 2.043 10 30 EEEEHM N#C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)c1ccc(Cl)c(Cl)c1 ZINC000092385020 462948764 /nfs/dbraw/zinc/94/87/64/462948764.db2.gz BDCHFNWESPBWDG-SNVBAGLBSA-N -1 3 331.184 2.260 10 30 EEEEHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156501711 463031978 /nfs/dbraw/zinc/03/19/78/463031978.db2.gz MPTRQKNTDPTHPC-LBPRGKRZSA-N -1 3 341.864 2.364 10 30 EEEEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000151141430 463482595 /nfs/dbraw/zinc/48/25/95/463482595.db2.gz IJDCMEHSOCEDOL-OAHLLOKOSA-N -1 3 334.372 2.363 10 30 EEEEHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000185236555 463784654 /nfs/dbraw/zinc/78/46/54/463784654.db2.gz QLVSUFLIYQREOE-SECBINFHSA-N -1 3 331.344 2.301 10 30 EEEEHM C[C@H](C#N)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000543434015 468393565 /nfs/dbraw/zinc/39/35/65/468393565.db2.gz FVJCJJCKHZIXGT-MRVPVSSYSA-N -1 3 334.173 2.180 10 30 EEEEHM CN(C)Cc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1F ZINC000188506450 464299070 /nfs/dbraw/zinc/29/90/70/464299070.db2.gz ODAUWHFZOVWYPT-UHFFFAOYSA-N -1 3 327.359 2.395 10 30 EEEEHM CCN(CC)[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccco1 ZINC000354124767 466345710 /nfs/dbraw/zinc/34/57/10/466345710.db2.gz OOYSVCZTKKFNSF-AWEZNQCLSA-N -1 3 339.461 2.276 10 30 EEEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000582163173 468504636 /nfs/dbraw/zinc/50/46/36/468504636.db2.gz APRBNEMGHFKEDX-ZJUUUORDSA-N -1 3 336.335 2.112 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000428270389 467217854 /nfs/dbraw/zinc/21/78/54/467217854.db2.gz UKLUTQGXEAZQCF-UHFFFAOYSA-N -1 3 343.408 2.363 10 30 EEEEHM Cc1c(Br)cccc1CS(=O)(=O)[N-]C1(C#N)CC1 ZINC000594578381 468626116 /nfs/dbraw/zinc/62/61/16/468626116.db2.gz CYYJUKMLYMDJBM-UHFFFAOYSA-N -1 3 329.219 2.233 10 30 EEEEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)O1 ZINC000594851231 468705174 /nfs/dbraw/zinc/70/51/74/468705174.db2.gz HYTAGQDRNJYYDZ-MFKMUULPSA-N -1 3 328.821 2.448 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000593554072 469032846 /nfs/dbraw/zinc/03/28/46/469032846.db2.gz QBRKEFPPIKREGH-GFCCVEGCSA-N -1 3 328.459 2.229 10 30 EEEEHM C[C@]1(C[N-]S(=O)(=O)c2ccsc2C#N)CCO[C@H]1C1CC1 ZINC000593579352 469044979 /nfs/dbraw/zinc/04/49/79/469044979.db2.gz WJWOVOUERFVRNJ-UONOGXRCSA-N -1 3 326.443 2.103 10 30 EEEEHM N#Cc1cncc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c1 ZINC000599502878 469278721 /nfs/dbraw/zinc/27/87/21/469278721.db2.gz KGZSURNQRAXOEK-UHFFFAOYSA-N -1 3 333.335 2.354 10 30 EEEEHM O=C1N=C(NN=Cc2ccc(-c3ccccc3Cl)s2)[N-]C1=O ZINC000765582922 577503459 /nfs/dbraw/zinc/50/34/59/577503459.db2.gz CLQBKMMUOUUEGD-UHFFFAOYSA-N -1 3 332.772 2.004 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)OCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000767695552 577543131 /nfs/dbraw/zinc/54/31/31/577543131.db2.gz CYMYIVMUVZNULI-LBPRGKRZSA-N -1 3 339.413 2.386 10 30 EEEEHM COC(=O)c1ccc(NN=Cc2ccc(O)c([O-])c2O)c(OC)c1 ZINC000756902313 577852814 /nfs/dbraw/zinc/85/28/14/577852814.db2.gz JSOLHNSLZRMYHR-UHFFFAOYSA-N -1 3 332.312 2.045 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895631663 684669552 /nfs/dbraw/zinc/66/95/52/684669552.db2.gz QTECBFHYHSGOCH-KFWWJZLASA-N -1 3 345.447 2.195 10 30 EEEEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174903 694320201 /nfs/dbraw/zinc/32/02/01/694320201.db2.gz LCMXQBIZQCZVID-RISCZKNCSA-N -1 3 340.420 2.491 10 30 EEEEHM C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221183 691899814 /nfs/dbraw/zinc/89/98/14/691899814.db2.gz JMLPQSUSYRHBTD-GFCCVEGCSA-N -1 3 343.383 2.318 10 30 EEEEHM CC(C)C#CC(=O)N1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001746493961 1193548583 /nfs/dbraw/zinc/54/85/83/1193548583.db2.gz VFIKCHQIQWMORH-UHFFFAOYSA-N -1 3 342.439 2.410 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC ZINC000867623505 1201646358 /nfs/dbraw/zinc/64/63/58/1201646358.db2.gz GUFPJOPUYGAILW-MRXNPFEDSA-N -1 3 335.425 2.401 10 30 EEEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000882848769 1201956890 /nfs/dbraw/zinc/95/68/90/1201956890.db2.gz QOXRRUCGVHPABK-SNVBAGLBSA-N -1 3 341.326 2.450 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1 ZINC000900436331 1234353694 /nfs/dbraw/zinc/35/36/94/1234353694.db2.gz KJLCQZMVLUYBPW-LLVKDONJSA-N -1 3 347.287 2.403 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001488250457 1287002056 /nfs/dbraw/zinc/00/20/56/1287002056.db2.gz RHKOSLVQBKIWNK-ZBFHGGJFSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CCC1(C(=O)N[C@H]2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001278619681 1317391737 /nfs/dbraw/zinc/39/17/37/1317391737.db2.gz YZVWOBRCHRNRKS-KGLIPLIRSA-N -1 3 347.463 2.021 10 30 EEEEHM CCCCCCN([O-])C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC001161826514 1320639910 /nfs/dbraw/zinc/63/99/10/1320639910.db2.gz DCSCSBBHLILGBC-UHFFFAOYSA-N -1 3 330.425 2.420 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N[C@H](C)CN(C)C(=O)c1ccccc1[O-])OCC ZINC001280981447 1324693555 /nfs/dbraw/zinc/69/35/55/1324693555.db2.gz SOHCOUXNKBVLQV-RHSMWYFYSA-N -1 3 348.443 2.340 10 30 EEEEHM C=CCCCC(=O)N[C@H](CNC(=O)c1c(C)nc[n-]c1=O)C(C)(C)C ZINC001281316231 1324958886 /nfs/dbraw/zinc/95/88/86/1324958886.db2.gz BSHNAWDGZCQZNA-CYBMUJFWSA-N -1 3 348.447 2.108 10 30 EEEEHM C#CCCCC(=O)N1CCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001285103053 1326866722 /nfs/dbraw/zinc/86/67/22/1326866722.db2.gz HFOLMWXURPRXBX-HNNXBMFYSA-N -1 3 328.412 2.259 10 30 EEEEHM C#CCC1(C(=O)NCCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001292512672 1328427069 /nfs/dbraw/zinc/42/70/69/1328427069.db2.gz DPMKSGZAVPNAAH-UHFFFAOYSA-N -1 3 328.412 2.212 10 30 EEEEHM N#Cc1cncc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)c1 ZINC001303861347 1331368553 /nfs/dbraw/zinc/36/85/53/1331368553.db2.gz LAONFNZJBKMORU-UHFFFAOYSA-N -1 3 331.278 2.054 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001337439450 1336702244 /nfs/dbraw/zinc/70/22/44/1336702244.db2.gz ZTDGEMWSYWCFCE-XIKOKIGWSA-N -1 3 343.431 2.137 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001342129445 1337310069 /nfs/dbraw/zinc/31/00/69/1337310069.db2.gz MRTWDKVAEXZTSO-HNNXBMFYSA-N -1 3 348.357 2.252 10 30 EEEEHM C=CCN(CCc1ccccc1)c1nnc(-c2nnc(Cl)[n-]2)n1C ZINC001350422713 1337708449 /nfs/dbraw/zinc/70/84/49/1337708449.db2.gz HGGVFVBQYZXYDG-UHFFFAOYSA-N -1 3 343.822 2.489 10 30 EEEEHM C=CCN(CCc1ccccc1)c1nnc(-c2n[n-]c(Cl)n2)n1C ZINC001350422713 1337708451 /nfs/dbraw/zinc/70/84/51/1337708451.db2.gz HGGVFVBQYZXYDG-UHFFFAOYSA-N -1 3 343.822 2.489 10 30 EEEEHM C#C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H]1CCCO1 ZINC001616964014 1352334402 /nfs/dbraw/zinc/33/44/02/1352334402.db2.gz LFKBRMUQZNVGCN-KGLIPLIRSA-N -1 3 330.771 2.092 10 30 EEEEHM C=C[C@@H](COC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001655062560 1354163716 /nfs/dbraw/zinc/16/37/16/1354163716.db2.gz SUMGMWLSRZLUPP-QMMMGPOBSA-N -1 3 332.834 2.429 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC001656624979 1354253304 /nfs/dbraw/zinc/25/33/04/1354253304.db2.gz YJVWAJMWLHZFEE-UHFFFAOYSA-N -1 3 328.777 2.473 10 30 EEEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001211719493 779694143 /nfs/dbraw/zinc/69/41/43/779694143.db2.gz LKMYRKIYGGRGEJ-LBPRGKRZSA-N -1 3 327.377 2.083 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000816692277 784200486 /nfs/dbraw/zinc/20/04/86/784200486.db2.gz KGDFPWYYKQYGDB-JFGNBEQYSA-N -1 3 329.183 2.203 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ncoc1-c1ccccc1Cl ZINC000816760032 784246868 /nfs/dbraw/zinc/24/68/68/784246868.db2.gz ZZRWNIURNTYWDN-LLVKDONJSA-N -1 3 335.747 2.105 10 30 EEEEHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000820475927 785938477 /nfs/dbraw/zinc/93/84/77/785938477.db2.gz CQNLKZNAHAPHEI-DOMZBBRYSA-N -1 3 332.400 2.125 10 30 EEEEHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000846551427 790230341 /nfs/dbraw/zinc/23/03/41/790230341.db2.gz USCVWRVUQYKWKR-UKRRQHHQSA-N -1 3 334.391 2.229 10 30 EEEEHM C=C(C)CCC(=O)N1CCCCC[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001509353270 1115808244 /nfs/dbraw/zinc/80/82/44/1115808244.db2.gz KLQKLWDFXCPOPY-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000441926921 242091208 /nfs/dbraw/zinc/09/12/08/242091208.db2.gz PKDZCMIOKFNICE-JTQLQIEISA-N -1 3 349.412 2.014 10 30 EEEEHM COc1cccc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c1[O-] ZINC000328598973 258041162 /nfs/dbraw/zinc/04/11/62/258041162.db2.gz PMRFISOTJZWXSW-UHFFFAOYSA-N -1 3 349.408 2.450 10 30 EEEEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000190371319 160159205 /nfs/dbraw/zinc/15/92/05/160159205.db2.gz UINKNGUBBBBMJL-MRXNPFEDSA-N -1 3 340.420 2.307 10 30 EEEEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344710382 161238223 /nfs/dbraw/zinc/23/82/23/161238223.db2.gz XIVRDFHVLXFURT-VIFPVBQESA-N -1 3 347.234 2.024 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368244741 166075520 /nfs/dbraw/zinc/07/55/20/166075520.db2.gz SEDDIEPIMFNJNJ-ZBFHGGJFSA-N -1 3 343.408 2.152 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375385310 167122976 /nfs/dbraw/zinc/12/29/76/167122976.db2.gz XHXYNNBUZAJLSS-IBGZPJMESA-N -1 3 343.427 2.237 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000529981380 270022298 /nfs/dbraw/zinc/02/22/98/270022298.db2.gz FRWJYPXNPPQFHI-VUUOMBDGSA-N -1 3 331.416 2.136 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)c3ccc(O)cc3[O-])CCOCC2)cc1 ZINC000530060877 268210606 /nfs/dbraw/zinc/21/06/06/268210606.db2.gz OGFUSPQXHFWLPD-UHFFFAOYSA-N -1 3 338.363 2.405 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000576207540 320150665 /nfs/dbraw/zinc/15/06/65/320150665.db2.gz PBMJEMSXNDRVJR-KRWDZBQOSA-N -1 3 343.427 2.236 10 30 EEEEHM C[C@@H](C/N=C/c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000120536747 463009806 /nfs/dbraw/zinc/00/98/06/463009806.db2.gz KSDRXRDHILWROX-YAFRSCOQSA-N -1 3 327.222 2.294 10 30 EEEEHM C=CCN1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000286929524 463745129 /nfs/dbraw/zinc/74/51/29/463745129.db2.gz PPWRBLJNRKBAKX-UHFFFAOYSA-N -1 3 349.378 2.029 10 30 EEEEHM O=S(=O)(c1ccc(N=Cc2ccccc2[O-])cc1)N1CCOCC1 ZINC000252460808 464956411 /nfs/dbraw/zinc/95/64/11/464956411.db2.gz IJCSHPWRLJYCBF-UHFFFAOYSA-N -1 3 346.408 2.164 10 30 EEEEHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000349991314 466342251 /nfs/dbraw/zinc/34/22/51/466342251.db2.gz LIGDSEOYMSTZND-MNOVXSKESA-N -1 3 348.346 2.423 10 30 EEEEHM CCC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccn1 ZINC000589892466 468192608 /nfs/dbraw/zinc/19/26/08/468192608.db2.gz CCPJXUIQEXCXBP-MRXNPFEDSA-N -1 3 330.413 2.476 10 30 EEEEHM COCCCn1c(=O)[n-]nc1SCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000568015030 468257007 /nfs/dbraw/zinc/25/70/07/468257007.db2.gz WTAMZIIUJKIAHO-UHFFFAOYSA-N -1 3 349.372 2.092 10 30 EEEEHM C=CCCSCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000594817997 468695965 /nfs/dbraw/zinc/69/59/65/468695965.db2.gz QPJFFFBXDXACTR-LBPRGKRZSA-N -1 3 329.491 2.368 10 30 EEEEHM N#CCC1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000598031650 468744772 /nfs/dbraw/zinc/74/47/72/468744772.db2.gz SJCNFGMCOVDXFY-UHFFFAOYSA-N -1 3 346.184 2.276 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298632 468824995 /nfs/dbraw/zinc/82/49/95/468824995.db2.gz KBOFYWIKQNNNSQ-NEPJUHHUSA-N -1 3 331.416 2.234 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@H](C)COC1CCCC1)C(=O)OC ZINC000601502419 468897272 /nfs/dbraw/zinc/89/72/72/468897272.db2.gz VDZXGIPKEACBFM-UKRRQHHQSA-N -1 3 347.477 2.009 10 30 EEEEHM CC(C)(C#N)C(=O)Nc1cc(I)ccc1[O-] ZINC000610491074 468984405 /nfs/dbraw/zinc/98/44/05/468984405.db2.gz QUKZFWYSNBGLGV-UHFFFAOYSA-N -1 3 330.125 2.485 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1c(C)nn(C)c1C ZINC000593551208 469029691 /nfs/dbraw/zinc/02/96/91/469029691.db2.gz AJJGKPBBYHBZFO-LLVKDONJSA-N -1 3 338.458 2.400 10 30 EEEEHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]2CCCO[C@@H]21 ZINC000593553548 469032397 /nfs/dbraw/zinc/03/23/97/469032397.db2.gz SRNLXQJPQOHZQV-WQAKAFBOSA-N -1 3 326.443 2.102 10 30 EEEEHM CC[C@H](C#N)C(=O)Nc1cc(I)ccc1[O-] ZINC000593555595 469032832 /nfs/dbraw/zinc/03/28/32/469032832.db2.gz DRWGKOZJIJTDJM-SSDOTTSWSA-N -1 3 330.125 2.485 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000593569193 469040861 /nfs/dbraw/zinc/04/08/61/469040861.db2.gz WHADIYCKSJPEMS-UHFFFAOYSA-N -1 3 336.442 2.410 10 30 EEEEHM COC(=O)[C@@]1([N-]S(=O)(=O)CCCCC#N)CCCC(C)(C)C1 ZINC000599412375 469246919 /nfs/dbraw/zinc/24/69/19/469246919.db2.gz LNCOGUGBKSUXSF-OAHLLOKOSA-N -1 3 330.450 2.112 10 30 EEEEHM C=CC(C)(C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000628317267 485711735 /nfs/dbraw/zinc/71/17/35/485711735.db2.gz CDAWBOBUALSQLV-NSHDSACASA-N -1 3 330.475 2.133 10 30 EEEEHM O=C(C1CN([C@H]2CCOC2)C1)N([O-])Cc1cccc2ccccc21 ZINC000904172952 694318867 /nfs/dbraw/zinc/31/88/67/694318867.db2.gz MNAUAXJAMVXGGC-KRWDZBQOSA-N -1 3 326.396 2.278 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000904207109 694322032 /nfs/dbraw/zinc/32/20/32/694322032.db2.gz QQLQQCFWUMOSPD-VHSXEESVSA-N -1 3 331.356 2.008 10 30 EEEEHM Cc1cc(=O)[n-]c(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)n1 ZINC000898258377 691917368 /nfs/dbraw/zinc/91/73/68/691917368.db2.gz MLJFGUGSKSTADI-UHFFFAOYSA-N -1 3 336.395 2.491 10 30 EEEEHM N#C[C@]1(C(=O)NCc2ccc([O-])c(Br)c2)CCCOC1 ZINC000866772623 1201602306 /nfs/dbraw/zinc/60/23/06/1201602306.db2.gz GXKVDTLWQRRZGU-CQSZACIVSA-N -1 3 339.189 2.091 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882516709 1201888275 /nfs/dbraw/zinc/88/82/75/1201888275.db2.gz DXHGQYSLRSVAOF-ZMOMAAQPSA-N -1 3 346.518 2.443 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)C(=O)OCC ZINC000882644642 1201912683 /nfs/dbraw/zinc/91/26/83/1201912683.db2.gz MWCGCNMGJWKIKU-HNNXBMFYSA-N -1 3 325.430 2.312 10 30 EEEEHM C=CC1(CC(=O)NC2CC(CNCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001275295944 1205301716 /nfs/dbraw/zinc/30/17/16/1205301716.db2.gz XTGXZVJFOSXDTD-UHFFFAOYSA-N -1 3 347.463 2.021 10 30 EEEEHM CCOC(=O)[C@H](CC1CC1)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900944947 1235028210 /nfs/dbraw/zinc/02/82/10/1235028210.db2.gz YFGAFEAHTVASGE-AWEZNQCLSA-N -1 3 336.338 2.498 10 30 EEEEHM C=CCCOCC(=O)N1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001287362428 1327484628 /nfs/dbraw/zinc/48/46/28/1327484628.db2.gz RONJIKRNGOKUJY-UHFFFAOYSA-N -1 3 346.427 2.048 10 30 EEEEHM CC(=NN[C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1[O-] ZINC000863127981 1296124278 /nfs/dbraw/zinc/12/42/78/1296124278.db2.gz CITJQVHVOUXFJI-AWEZNQCLSA-N -1 3 332.425 2.436 10 30 EEEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](CCF)C1 ZINC001262957140 1322405719 /nfs/dbraw/zinc/40/57/19/1322405719.db2.gz KOUBKZAWQMMFGJ-LBPRGKRZSA-N -1 3 332.383 2.203 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001280484754 1324249610 /nfs/dbraw/zinc/24/96/10/1324249610.db2.gz YSWIMAQPANFOSB-CHWSQXEVSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CCOCC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001281498981 1325175168 /nfs/dbraw/zinc/17/51/68/1325175168.db2.gz ZARDJKUUVYLUHJ-OAHLLOKOSA-N -1 3 346.427 2.048 10 30 EEEEHM C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001283682319 1326199699 /nfs/dbraw/zinc/19/96/99/1326199699.db2.gz IXDNUAUSFSURSP-HIFRSBDPSA-N -1 3 346.431 2.038 10 30 EEEEHM C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001283980487 1326348792 /nfs/dbraw/zinc/34/87/92/1326348792.db2.gz OMPMWPABPJQUGC-IYBDPMFKSA-N -1 3 340.423 2.401 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc2ccc(Br)cc2c1 ZINC001298428015 1330076788 /nfs/dbraw/zinc/07/67/88/1330076788.db2.gz ZZYYLSDHMMRYEL-ZDUSSCGKSA-N -1 3 349.184 2.322 10 30 EEEEHM C=C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC001298800459 1330122675 /nfs/dbraw/zinc/12/26/75/1330122675.db2.gz QQYNNKGSIFWACO-CYBMUJFWSA-N -1 3 337.379 2.491 10 30 EEEEHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)OCC ZINC001324092961 1333607777 /nfs/dbraw/zinc/60/77/77/1333607777.db2.gz FXOJRYHXRAEJSN-OAHLLOKOSA-N -1 3 325.430 2.231 10 30 EEEEHM CC#CCCCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001331494430 1335023446 /nfs/dbraw/zinc/02/34/46/1335023446.db2.gz UIACUCZBXYEYTQ-UHFFFAOYSA-N -1 3 343.474 2.352 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]1CSC ZINC001339867751 1337087285 /nfs/dbraw/zinc/08/72/85/1337087285.db2.gz RHTBXSGLQUCSEM-VIFPVBQESA-N -1 3 339.856 2.234 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]1CSC ZINC001339867751 1337087287 /nfs/dbraw/zinc/08/72/87/1337087287.db2.gz RHTBXSGLQUCSEM-VIFPVBQESA-N -1 3 339.856 2.234 10 30 EEEEHM C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001340092204 1337121874 /nfs/dbraw/zinc/12/18/74/1337121874.db2.gz ZGEGKXJRXHPMCK-GFCCVEGCSA-N -1 3 348.447 2.060 10 30 EEEEHM C=CCOCCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001344149917 1337370068 /nfs/dbraw/zinc/37/00/68/1337370068.db2.gz QJCCKUXJFWLHDB-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM NS(=O)(=O)CCCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC001611650998 1352303318 /nfs/dbraw/zinc/30/33/18/1352303318.db2.gz UVKGGWWNQJYWTG-UHFFFAOYSA-N -1 3 348.852 2.297 10 30 EEEEHM COc1cnc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)c(F)c1 ZINC001611704148 1352303823 /nfs/dbraw/zinc/30/38/23/1352303823.db2.gz QDVQWPOPGSTUJF-UHFFFAOYSA-N -1 3 338.302 2.138 10 30 EEEEHM C#CCN(CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccccc1 ZINC001617794657 1352344932 /nfs/dbraw/zinc/34/49/32/1352344932.db2.gz ZIJMHWIFBYKAAB-UHFFFAOYSA-N -1 3 336.391 2.087 10 30 EEEEHM C=CCCCC(=O)N[C@]1(C)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001500253843 1342114761 /nfs/dbraw/zinc/11/47/61/1342114761.db2.gz LVBHJXQVAFBZJW-LJQANCHMSA-N -1 3 344.459 2.497 10 30 EEEEHM C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2nc(=O)c3sccc3[n-]2)C1 ZINC001502705880 1342225048 /nfs/dbraw/zinc/22/50/48/1342225048.db2.gz AMQIUJIPSZGOOZ-YPMHNXCESA-N -1 3 346.456 2.300 10 30 EEEEHM CCCCCCN([O-])C(=O)CNS(=O)(=O)c1cc(C)ccc1C ZINC001559035014 1342496354 /nfs/dbraw/zinc/49/63/54/1342496354.db2.gz YUNJSDHDQZFIJF-UHFFFAOYSA-N -1 3 342.461 2.380 10 30 EEEEHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001624550984 1352423897 /nfs/dbraw/zinc/42/38/97/1352423897.db2.gz NZPXPESENMMAEO-KGLIPLIRSA-N -1 3 334.322 2.270 10 30 EEEEHM Cn1c2ccccc2n(CCC(=O)N([O-])Cc2ccc(F)cc2)c1=O ZINC001654825651 1354158886 /nfs/dbraw/zinc/15/88/86/1354158886.db2.gz AUDJXOFKWNMAAU-UHFFFAOYSA-N -1 3 343.358 2.287 10 30 EEEEHM C=CCOc1cccc([N-]S(=O)(=O)CCOC2CCOCC2)c1 ZINC001662440133 1354797370 /nfs/dbraw/zinc/79/73/70/1354797370.db2.gz KWLKDMZDHYTACJ-UHFFFAOYSA-N -1 3 341.429 2.189 10 30 EEEEHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)Cc1ccc(C#N)cc1 ZINC000921450161 773380939 /nfs/dbraw/zinc/38/09/39/773380939.db2.gz TUSQJKXJJXCZNB-UHFFFAOYSA-N -1 3 333.413 2.463 10 30 EEEEHM CSc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(Cl)cc1Cl ZINC000816697351 784202417 /nfs/dbraw/zinc/20/24/17/784202417.db2.gz YUROOVUUTFYULR-VIFPVBQESA-N -1 3 335.212 2.435 10 30 EEEEHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816760027 784247209 /nfs/dbraw/zinc/24/72/09/784247209.db2.gz ZXUQRXSWHQURLI-XJKSGUPXSA-N -1 3 332.400 2.002 10 30 EEEEHM C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820137726 785805021 /nfs/dbraw/zinc/80/50/21/785805021.db2.gz QQGLAVNDBJTREW-JLVNDZCYSA-N -1 3 344.289 2.095 10 30 EEEEHM C=C(C)C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908997363 785927069 /nfs/dbraw/zinc/92/70/69/785927069.db2.gz KCIPNVNOPDVYCD-SJORKVTESA-N -1 3 345.443 2.370 10 30 EEEEHM Cc1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)ccc1C#N ZINC000921856506 797658172 /nfs/dbraw/zinc/65/81/72/797658172.db2.gz MAMKZXIKAVBPOR-DGCLKSJQSA-N -1 3 348.346 2.112 10 30 EEEEHM Cc1cc(C#N)cc(N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001458458300 1109876353 /nfs/dbraw/zinc/87/63/53/1109876353.db2.gz UYUKITHTKBVQEK-RYUDHWBXSA-N -1 3 325.372 2.438 10 30 EEEEHM COc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c([O-])c1 ZINC001469872837 1110498182 /nfs/dbraw/zinc/49/81/82/1110498182.db2.gz VLDHKYSNCOSDRN-QGZVFWFLSA-N -1 3 326.352 2.078 10 30 EEEEHM C=CCC(CC=C)C(=O)N1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001534681208 1123383702 /nfs/dbraw/zinc/38/37/02/1123383702.db2.gz GIZFVKVXYFREFB-OAHLLOKOSA-N -1 3 328.412 2.491 10 30 EEEEHM O=C(CC#Cc1ccccc1)NCC1(NC(=O)c2ccccc2[O-])CC1 ZINC001535507817 1123560546 /nfs/dbraw/zinc/56/05/46/1123560546.db2.gz FHIMZFLRUMHHAN-UHFFFAOYSA-N -1 3 348.402 2.213 10 30 EEEEHM C=CCNC(=O)c1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001540575703 1124086928 /nfs/dbraw/zinc/08/69/28/1124086928.db2.gz HFIGQVYDHVTLCV-UHFFFAOYSA-N -1 3 338.367 2.228 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1ccccc1 ZINC000158461996 255792659 /nfs/dbraw/zinc/79/26/59/255792659.db2.gz BKEUJLKNKLIPEH-CQSZACIVSA-N -1 3 336.800 2.224 10 30 EEEEHM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000185968913 160054721 /nfs/dbraw/zinc/05/47/21/160054721.db2.gz UVNSROUJWSETES-UHFFFAOYSA-N -1 3 339.380 2.081 10 30 EEEEHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331082213 267010801 /nfs/dbraw/zinc/01/08/01/267010801.db2.gz ZLWJLWHCKYRSJR-GFCCVEGCSA-N -1 3 341.864 2.364 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)s1 ZINC000331235561 268201920 /nfs/dbraw/zinc/20/19/20/268201920.db2.gz KCXUMPBRUKOAPA-WCQYABFASA-N -1 3 328.459 2.229 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(C)C)ccc1F ZINC000045296439 462574762 /nfs/dbraw/zinc/57/47/62/462574762.db2.gz UJPSTACKCMGBHF-LLVKDONJSA-N -1 3 328.409 2.064 10 30 EEEEHM O=C([O-])c1ccccc1/N=C1/C=CN2C(=O)c3ccccc3N[C@@H]2N1 ZINC000032106862 463364798 /nfs/dbraw/zinc/36/47/98/463364798.db2.gz CIGBUTYCWCPXOL-GOSISDBHSA-N -1 3 334.335 2.383 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000105621245 463457546 /nfs/dbraw/zinc/45/75/46/463457546.db2.gz ABMAROJIRHOXNR-UHFFFAOYSA-N -1 3 341.345 2.146 10 30 EEEEHM C#CCCCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000268322012 465015560 /nfs/dbraw/zinc/01/55/60/465015560.db2.gz RRXZXNCKUBSNKY-UHFFFAOYSA-N -1 3 338.411 2.405 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000425179598 467087603 /nfs/dbraw/zinc/08/76/03/467087603.db2.gz QEOOLFLESDDAOT-AAEUAGOBSA-N -1 3 326.805 2.081 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc([O-])cc(Br)c1 ZINC000529500313 467871796 /nfs/dbraw/zinc/87/17/96/467871796.db2.gz FGUWXDKRNZOHRZ-ZANVPECISA-N -1 3 326.190 2.476 10 30 EEEEHM C=CCn1c(SCc2cc3ccccc3n(C)c2=O)n[n-]c1=O ZINC000518156707 468107120 /nfs/dbraw/zinc/10/71/20/468107120.db2.gz VPNSGHVKPKIPTJ-UHFFFAOYSA-N -1 3 328.397 2.314 10 30 EEEEHM N#CC1(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1 ZINC000590135605 468218829 /nfs/dbraw/zinc/21/88/29/468218829.db2.gz SGCMKSYOLFUESJ-UHFFFAOYSA-N -1 3 327.384 2.263 10 30 EEEEHM CCN(CCC#N)S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000594487109 468604990 /nfs/dbraw/zinc/60/49/90/468604990.db2.gz DPKKBXOHAMCQBN-HNNXBMFYSA-N -1 3 348.428 2.028 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000594864187 468711133 /nfs/dbraw/zinc/71/11/33/468711133.db2.gz CUQRWDWBLWHLMP-UHFFFAOYSA-N -1 3 340.832 2.041 10 30 EEEEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000601417367 468865455 /nfs/dbraw/zinc/86/54/55/468865455.db2.gz QWUUAZYSXUHRMM-UHFFFAOYSA-N -1 3 338.355 2.047 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OC ZINC000601501305 468896143 /nfs/dbraw/zinc/89/61/43/468896143.db2.gz LYLBVQOROJRZSU-CYBMUJFWSA-N -1 3 331.821 2.267 10 30 EEEEHM CO[C@@H](C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1)C1CCCC1 ZINC000598685552 468958363 /nfs/dbraw/zinc/95/83/63/468958363.db2.gz MWYWJJIIFBGYHK-MRXNPFEDSA-N -1 3 339.399 2.013 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000593534881 469021960 /nfs/dbraw/zinc/02/19/60/469021960.db2.gz GQMUJASQRGYMMG-CYBMUJFWSA-N -1 3 347.465 2.425 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3cc(F)ccc3C2)CCCC1 ZINC000572975985 469034249 /nfs/dbraw/zinc/03/42/49/469034249.db2.gz IMBWJQVJYAAUBX-AWEZNQCLSA-N -1 3 338.404 2.133 10 30 EEEEHM CCOCCC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593566023 469038772 /nfs/dbraw/zinc/03/87/72/469038772.db2.gz LNGIAWFCPPCUFW-UHFFFAOYSA-N -1 3 328.459 2.495 10 30 EEEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccccc1 ZINC000593572035 469042352 /nfs/dbraw/zinc/04/23/52/469042352.db2.gz ZNQMITGAAIULQC-BBRMVZONSA-N -1 3 347.465 2.343 10 30 EEEEHM N#CC1(CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CCCC1 ZINC000593674888 469089931 /nfs/dbraw/zinc/08/99/31/469089931.db2.gz HBVFXEIIRFREES-UHFFFAOYSA-N -1 3 337.383 2.011 10 30 EEEEHM N#C[C@]1(F)CCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000615932149 469341362 /nfs/dbraw/zinc/34/13/62/469341362.db2.gz CLUQROBEOIBVCZ-CYBMUJFWSA-N -1 3 327.153 2.161 10 30 EEEEHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1OCCO ZINC000619463647 469616000 /nfs/dbraw/zinc/61/60/00/469616000.db2.gz INSYWJLEWSMPKX-UHFFFAOYSA-N -1 3 346.408 2.233 10 30 EEEEHM CC(C)(CCC#N)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000377169153 526995521 /nfs/dbraw/zinc/99/55/21/526995521.db2.gz LQRQFFTYIRWDAM-HNNXBMFYSA-N -1 3 343.427 2.443 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000775430525 577437215 /nfs/dbraw/zinc/43/72/15/577437215.db2.gz GTEVVPWHLVTFGG-AWEZNQCLSA-N -1 3 349.438 2.365 10 30 EEEEHM COC(=O)[C@@H](OC(=O)c1ccc([O-])c(OC)c1)c1ccc(C#N)cc1 ZINC000757096299 577856596 /nfs/dbraw/zinc/85/65/96/577856596.db2.gz SGHMIXNWWARXHP-INIZCTEOSA-N -1 3 341.319 2.344 10 30 EEEEHM CN(CCC#N)c1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000735407684 578152342 /nfs/dbraw/zinc/15/23/42/578152342.db2.gz MDRYKWFDAPHNRS-UHFFFAOYSA-N -1 3 325.420 2.109 10 30 EEEEHM CN(CCC#N)c1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000735407684 578152343 /nfs/dbraw/zinc/15/23/43/578152343.db2.gz MDRYKWFDAPHNRS-UHFFFAOYSA-N -1 3 325.420 2.109 10 30 EEEEHM COc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000255499194 678329061 /nfs/dbraw/zinc/32/90/61/678329061.db2.gz UDPJNRVJOFFOKT-RYWCDNDXSA-N -1 3 339.351 2.042 10 30 EEEEHM C=C(C)CN(C)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897599408 691668322 /nfs/dbraw/zinc/66/83/22/691668322.db2.gz JYIGQRLDJFAUMJ-ZDUSSCGKSA-N -1 3 333.436 2.102 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)c2sccc2C(C)C)n1 ZINC001691424337 1178041337 /nfs/dbraw/zinc/04/13/37/1178041337.db2.gz JANMEEBVUULJBO-UHFFFAOYSA-N -1 3 344.440 2.020 10 30 EEEEHM CCCCCCN(O)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001649056707 1193498781 /nfs/dbraw/zinc/49/87/81/1193498781.db2.gz GVGPKDOFHJOZTO-UHFFFAOYSA-N -1 3 330.406 2.175 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 ZINC000872671043 1198326047 /nfs/dbraw/zinc/32/60/47/1198326047.db2.gz NYVNSUOAIDWWED-HAQNSBGRSA-N -1 3 339.388 2.083 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000872674151 1198326891 /nfs/dbraw/zinc/32/68/91/1198326891.db2.gz USOAJKNFTMUJEE-XYPYZODXSA-N -1 3 328.415 2.435 10 30 EEEEHM CCO[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000870454991 1200685527 /nfs/dbraw/zinc/68/55/27/1200685527.db2.gz SELSJVNRUWVXHM-HFTRVMKXSA-N -1 3 341.407 2.438 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867485206 1201620946 /nfs/dbraw/zinc/62/09/46/1201620946.db2.gz POSOGXGWVUKSRV-UHFFFAOYSA-N -1 3 336.255 2.207 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CCc1ccccc1)C(=O)OCC ZINC000867591659 1201639626 /nfs/dbraw/zinc/63/96/26/1201639626.db2.gz AGNFPPBXWSEOTD-CQSZACIVSA-N -1 3 345.848 2.223 10 30 EEEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000882849421 1201956623 /nfs/dbraw/zinc/95/66/23/1201956623.db2.gz IZDMFQRLLJHQSZ-MRVPVSSYSA-N -1 3 340.264 2.116 10 30 EEEEHM Cn1nc(CC(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2c1=O ZINC000901376364 1235635628 /nfs/dbraw/zinc/63/56/28/1235635628.db2.gz UHGDVSBPELHGIJ-UHFFFAOYSA-N -1 3 341.342 2.033 10 30 EEEEHM C=CCOc1ccc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1 ZINC000901525049 1235920727 /nfs/dbraw/zinc/92/07/27/1235920727.db2.gz SAYFLACYAHAFOV-UHFFFAOYSA-N -1 3 342.399 2.378 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(C)(C)C ZINC001190910592 1281147070 /nfs/dbraw/zinc/14/70/70/1281147070.db2.gz OUHCDIFEBLKBRE-VIFPVBQESA-N -1 3 331.235 2.170 10 30 EEEEHM CCCCCCCCC(=O)N1CCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001283470401 1326086663 /nfs/dbraw/zinc/08/66/63/1326086663.db2.gz BCMTWVLHANINPY-AWEZNQCLSA-N -1 3 335.452 2.276 10 30 EEEEHM C=CCOCC(=O)N1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001284473186 1326571562 /nfs/dbraw/zinc/57/15/62/1326571562.db2.gz NMRIZQMIXBHIFK-OAHLLOKOSA-N -1 3 346.427 2.096 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001285127239 1326878752 /nfs/dbraw/zinc/87/87/52/1326878752.db2.gz CHFKCAPBLLVLEG-LJQANCHMSA-N -1 3 328.412 2.066 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@@]1(NC(=O)c2cn[n-]n2)CCCC[C@H]1C ZINC001285152180 1326891185 /nfs/dbraw/zinc/89/11/85/1326891185.db2.gz TZOWQUBAJFYHIH-ACJLOTCBSA-N -1 3 347.463 2.202 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC2(CCC2)OC[C@H]1C ZINC001339209547 1336975691 /nfs/dbraw/zinc/97/56/91/1336975691.db2.gz BDZVZWAOJXPLDK-SNVBAGLBSA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC2(CCC2)OC[C@H]1C ZINC001339209547 1336975693 /nfs/dbraw/zinc/97/56/93/1336975693.db2.gz BDZVZWAOJXPLDK-SNVBAGLBSA-N -1 3 349.826 2.050 10 30 EEEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C#N)ccn3)nc21 ZINC001618772646 1352353217 /nfs/dbraw/zinc/35/32/17/1352353217.db2.gz AURINWNURBDDAY-UHFFFAOYSA-N -1 3 335.323 2.259 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001572415567 1343484557 /nfs/dbraw/zinc/48/45/57/1343484557.db2.gz URAFHEBWSNYBSW-XLIONFOSSA-N -1 3 340.423 2.449 10 30 EEEEHM CCCc1sc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1Br ZINC001624906859 1352434320 /nfs/dbraw/zinc/43/43/20/1352434320.db2.gz WMBLSZQUTLLXRX-MRVPVSSYSA-N -1 3 347.234 2.183 10 30 EEEEHM C=CCN(C)CCN(CC)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001635757739 1352651932 /nfs/dbraw/zinc/65/19/32/1352651932.db2.gz KGEHZNVCQBTBAF-UHFFFAOYSA-N -1 3 346.406 2.297 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNCc2ccccc2F)cc(=O)[n-]1 ZINC001656634543 1354254449 /nfs/dbraw/zinc/25/44/49/1354254449.db2.gz DBAABJVNNGABCS-UHFFFAOYSA-N -1 3 344.390 2.194 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCC ZINC001669267482 1356138091 /nfs/dbraw/zinc/13/80/91/1356138091.db2.gz OWKLUQALPJKNEH-CQSZACIVSA-N -1 3 329.462 2.384 10 30 EEEEHM C[C@H](C[C@H](C)NC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001681536880 1358024430 /nfs/dbraw/zinc/02/44/30/1358024430.db2.gz CODIJNPUOHDAOM-KGLIPLIRSA-N -1 3 330.428 2.455 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001682138473 1358144639 /nfs/dbraw/zinc/14/46/39/1358144639.db2.gz SPBMZRMACVEUSJ-HOTGVXAUSA-N -1 3 342.439 2.410 10 30 EEEEHM C=CCCC(=O)N(CC)CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC001688409209 1358949347 /nfs/dbraw/zinc/94/93/47/1358949347.db2.gz AGTVAWYRQHNMGO-UHFFFAOYSA-N -1 3 341.411 2.073 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F)C(C)(C)C ZINC000805146302 811158811 /nfs/dbraw/zinc/15/88/11/811158811.db2.gz BDRPOSZRDXIYQZ-CQSZACIVSA-N -1 3 341.404 2.329 10 30 EEEEHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC001479160427 1110660965 /nfs/dbraw/zinc/66/09/65/1110660965.db2.gz ZNNVFRRRUWGCGR-AWEZNQCLSA-N -1 3 325.343 2.370 10 30 EEEEHM C=CCCCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001509723716 1115884540 /nfs/dbraw/zinc/88/45/40/1115884540.db2.gz NTONZCZJSHONRH-YOEHRIQHSA-N -1 3 346.427 2.094 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)CC)n1 ZINC001519537016 1119084671 /nfs/dbraw/zinc/08/46/71/1119084671.db2.gz ROABRRDPXJLGIW-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM C#CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001522117383 1119326188 /nfs/dbraw/zinc/32/61/88/1119326188.db2.gz XQFNJIIYTZISFI-KBMXLJTQSA-N -1 3 326.396 2.057 10 30 EEEEHM C=CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001522357125 1119364370 /nfs/dbraw/zinc/36/43/70/1119364370.db2.gz CKTXEWWSBXFXNE-LIRRHRJNSA-N -1 3 328.412 2.469 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001524190512 1120001070 /nfs/dbraw/zinc/00/10/70/1120001070.db2.gz WUZURSBTRHUZSU-NEPJUHHUSA-N -1 3 333.392 2.219 10 30 EEEEHM COc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1C#N ZINC000427142068 241381558 /nfs/dbraw/zinc/38/15/58/241381558.db2.gz GZJBPZYXRIVGTR-UHFFFAOYSA-N -1 3 333.347 2.338 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000011373252 211215069 /nfs/dbraw/zinc/21/50/69/211215069.db2.gz HKHQOSGCZBZPCS-NSHDSACASA-N -1 3 347.371 2.003 10 30 EEEEHM COC(=O)c1cccc2nc(NC(=O)Cc3cccc(C#N)c3)[n-]c21 ZINC000534280979 270022884 /nfs/dbraw/zinc/02/28/84/270022884.db2.gz QUMLISJBBDAPML-UHFFFAOYSA-N -1 3 334.335 2.402 10 30 EEEEHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(C#N)c3)nc21 ZINC000534280979 270022885 /nfs/dbraw/zinc/02/28/85/270022885.db2.gz QUMLISJBBDAPML-UHFFFAOYSA-N -1 3 334.335 2.402 10 30 EEEEHM N#CCC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000542904550 468391044 /nfs/dbraw/zinc/39/10/44/468391044.db2.gz YKIYRGZEIQNVGY-INIZCTEOSA-N -1 3 341.411 2.149 10 30 EEEEHM CC(C)N1C[C@H](C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000246092621 464543503 /nfs/dbraw/zinc/54/35/03/464543503.db2.gz KEFDRXCAUYGYOY-SMDDNHRTSA-N -1 3 341.864 2.219 10 30 EEEEHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000341035169 466530797 /nfs/dbraw/zinc/53/07/97/466530797.db2.gz PIEHHPFDONQIGU-UHFFFAOYSA-N -1 3 347.820 2.380 10 30 EEEEHM N#Cc1ccc(OC2CCN(C(=O)c3csc(=O)[n-]3)CC2)cc1 ZINC000373431116 466801005 /nfs/dbraw/zinc/80/10/05/466801005.db2.gz JZLUFMXMENKLIM-UHFFFAOYSA-N -1 3 329.381 2.404 10 30 EEEEHM CC[C@@]1(C[N-]S(=O)(=O)CC2(C#N)CCC2)OCCc2ccccc21 ZINC000589235976 468135853 /nfs/dbraw/zinc/13/58/53/468135853.db2.gz YAPKRVLAMACUEQ-SFHVURJKSA-N -1 3 348.468 2.478 10 30 EEEEHM N#CC1([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000594722148 468664050 /nfs/dbraw/zinc/66/40/50/468664050.db2.gz ZWXRVFHKFLHNSO-UHFFFAOYSA-N -1 3 335.610 2.437 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594851834 468704888 /nfs/dbraw/zinc/70/48/88/468704888.db2.gz DVDNDLRZCOHHQR-KBPBESRZSA-N -1 3 348.449 2.471 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)OC ZINC000601503156 468898368 /nfs/dbraw/zinc/89/83/68/468898368.db2.gz YQBXTLFMBBGCAL-LBPRGKRZSA-N -1 3 335.784 2.265 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)n1ccnc1 ZINC000601526889 468907971 /nfs/dbraw/zinc/90/79/71/468907971.db2.gz OJEQICQWAIRCMH-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccccc1 ZINC000593572036 469042506 /nfs/dbraw/zinc/04/25/06/469042506.db2.gz ZNQMITGAAIULQC-CJNGLKHVSA-N -1 3 347.465 2.343 10 30 EEEEHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593593311 469050291 /nfs/dbraw/zinc/05/02/91/469050291.db2.gz UFJCBMYRETVMRR-UHFFFAOYSA-N -1 3 348.428 2.393 10 30 EEEEHM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)CO2 ZINC000599375096 469235374 /nfs/dbraw/zinc/23/53/74/469235374.db2.gz KTGTVYZHGFTCBB-NSHDSACASA-N -1 3 334.422 2.210 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)CCCC1 ZINC000599380462 469237213 /nfs/dbraw/zinc/23/72/13/469237213.db2.gz PDIDNGFJHXVQKP-INIZCTEOSA-N -1 3 334.441 2.131 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000599484735 469273943 /nfs/dbraw/zinc/27/39/43/469273943.db2.gz ZBFVKFOOQRPAAO-DGCLKSJQSA-N -1 3 326.805 2.057 10 30 EEEEHM N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)CC2)c1 ZINC000898220925 691899196 /nfs/dbraw/zinc/89/91/96/691899196.db2.gz FPHHBXHTUPEMPM-GFCCVEGCSA-N -1 3 340.358 2.174 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001486708934 1194181403 /nfs/dbraw/zinc/18/14/03/1194181403.db2.gz HEJPRGPRIYKPNE-NWDGAFQWSA-N -1 3 346.431 2.039 10 30 EEEEHM C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000874862007 1199044853 /nfs/dbraw/zinc/04/48/53/1199044853.db2.gz ZYVBVRSPWWRIHR-BFYDXBDKSA-N -1 3 340.423 2.305 10 30 EEEEHM COc1cc(CNC(=O)c2nnc3ccccc3c2[O-])ccc1C#N ZINC000812251325 1200582660 /nfs/dbraw/zinc/58/26/60/1200582660.db2.gz PVLYHRARGPSXFS-UHFFFAOYSA-N -1 3 334.335 2.146 10 30 EEEEHM C=CC(C)(C)CC(=O)NCc1nc(CNC(=O)C(C)(C)C)cc(=O)[n-]1 ZINC001489968180 1290881270 /nfs/dbraw/zinc/88/12/70/1290881270.db2.gz ABPBXXKEERKKHJ-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCCOCC(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001280881022 1304978449 /nfs/dbraw/zinc/97/84/49/1304978449.db2.gz IYKDXUSLOMOHKE-UHFFFAOYSA-N -1 3 346.427 2.048 10 30 EEEEHM C=CCCC(=O)N1CC[C@@H](NCc2nc(=O)c3sccc3[n-]2)[C@@H]1C ZINC001278234676 1308876077 /nfs/dbraw/zinc/87/60/77/1308876077.db2.gz RRRMQKSLMHNDQS-NWDGAFQWSA-N -1 3 346.456 2.442 10 30 EEEEHM C=C(C)CN(CC)c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCCO1 ZINC001122901521 1310422449 /nfs/dbraw/zinc/42/24/49/1310422449.db2.gz DMDHSFWXTZWTFA-GFCCVEGCSA-N -1 3 333.392 2.220 10 30 EEEEHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)C=CC(C)(C)C)n1 ZINC001264579836 1322737446 /nfs/dbraw/zinc/73/74/46/1322737446.db2.gz AGOJWZNZLCDWGN-WAYWQWQTSA-N -1 3 338.839 2.243 10 30 EEEEHM CCCCCCCCC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H]1C ZINC001287900540 1327561357 /nfs/dbraw/zinc/56/13/57/1327561357.db2.gz NMHJNJLOYSDESY-UONOGXRCSA-N -1 3 335.452 2.275 10 30 EEEEHM C#CCCCCC(=O)NCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001296567673 1329901119 /nfs/dbraw/zinc/90/11/19/1329901119.db2.gz APBWMTYQEQPBQD-UHFFFAOYSA-N -1 3 328.412 2.307 10 30 EEEEHM C=C(C)[C@H](CC(=O)NC1(CNC(=O)c2ccccc2[O-])CC1)OCC ZINC001299124075 1330164456 /nfs/dbraw/zinc/16/44/56/1330164456.db2.gz NSQCHUGFEDVMBH-INIZCTEOSA-N -1 3 346.427 2.142 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(CC)CC)n1 ZINC001344650589 1337407127 /nfs/dbraw/zinc/40/71/27/1337407127.db2.gz VFRSVBRBHLUIHR-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC(C(C)(C)C)CC1 ZINC001351573937 1337827954 /nfs/dbraw/zinc/82/79/54/1337827954.db2.gz LOSRENOANNKGCO-UHFFFAOYSA-N -1 3 344.467 2.025 10 30 EEEEHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC(C(C)(C)C)CC1 ZINC001351573937 1337827960 /nfs/dbraw/zinc/82/79/60/1337827960.db2.gz LOSRENOANNKGCO-UHFFFAOYSA-N -1 3 344.467 2.025 10 30 EEEEHM C#CCCCCCC(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001353554191 1338279696 /nfs/dbraw/zinc/27/96/96/1338279696.db2.gz VMJXWUAOYNDMOK-SHTZXODSSA-N -1 3 328.412 2.353 10 30 EEEEHM C[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1CNC(=O)C#CC1CC1 ZINC001357072054 1338946402 /nfs/dbraw/zinc/94/64/02/1338946402.db2.gz ZTZACVBTLUPXOP-YOEHRIQHSA-N -1 3 340.423 2.163 10 30 EEEEHM C=CCCCC(=O)NC[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001357122933 1338965673 /nfs/dbraw/zinc/96/56/73/1338965673.db2.gz VTEYOYCNWFBEDM-OAHLLOKOSA-N -1 3 343.431 2.185 10 30 EEEEHM N#CCSCC(=O)Nc1ccc(I)cc1[O-] ZINC001556170035 1342424603 /nfs/dbraw/zinc/42/46/03/1342424603.db2.gz WENQETAJWUIOST-UHFFFAOYSA-N -1 3 348.165 2.192 10 30 EEEEHM COc1ccccc1Nc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC001556750239 1342433427 /nfs/dbraw/zinc/43/34/27/1342433427.db2.gz DIVNCPMAMASTMV-HNNXBMFYSA-N -1 3 341.367 2.159 10 30 EEEEHM N#Cc1cc2cccnc2nc1NCCNC(=O)c1ccc([O-])cc1 ZINC001559072180 1342496848 /nfs/dbraw/zinc/49/68/48/1342496848.db2.gz RENQMUQIUFQNMD-UHFFFAOYSA-N -1 3 333.351 2.049 10 30 EEEEHM COc1cccc([C@@H](C#N)NC(=O)c2cccc(O)c2[O-])c1OC ZINC001627355473 1352493457 /nfs/dbraw/zinc/49/34/57/1352493457.db2.gz AMYSPIMQWRLXLS-GFCCVEGCSA-N -1 3 328.324 2.110 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cscc3C#N)c2c1=O ZINC001651095893 1354039686 /nfs/dbraw/zinc/03/96/86/1354039686.db2.gz XHWRTQZKIVBJQB-UHFFFAOYSA-N -1 3 327.369 2.238 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001666763211 1355586587 /nfs/dbraw/zinc/58/65/87/1355586587.db2.gz YENQBHJYXJLXEB-CXAGYDPISA-N -1 3 337.441 2.448 10 30 EEEEHM C[C@@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000816691668 784199786 /nfs/dbraw/zinc/19/97/86/784199786.db2.gz WONSNAKWWANNGH-JOYOIKCWSA-N -1 3 330.306 2.305 10 30 EEEEHM N#CCSc1ccccc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852754 787777769 /nfs/dbraw/zinc/77/77/69/787777769.db2.gz PZDRXYCANRXORB-NSHDSACASA-N -1 3 328.397 2.361 10 30 EEEEHM C=C1CCC(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000921598691 789844101 /nfs/dbraw/zinc/84/41/01/789844101.db2.gz OHADFEWRCYCVIU-UHFFFAOYSA-N -1 3 329.447 2.126 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC#N)c1ccccn1 ZINC001130567743 811803258 /nfs/dbraw/zinc/80/32/58/811803258.db2.gz FCOAYBMGUCJCHP-UHFFFAOYSA-N -1 3 335.367 2.160 10 30 EEEEHM CCCN(CC#Cc1ccccc1)CCNC(=O)c1ncccc1[O-] ZINC001493286899 1107856152 /nfs/dbraw/zinc/85/61/52/1107856152.db2.gz SPESRKXREWVBHU-UHFFFAOYSA-N -1 3 337.423 2.281 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CC2CC2)C1 ZINC001519491037 1119083399 /nfs/dbraw/zinc/08/33/99/1119083399.db2.gz DDRHNKAJHJNAAL-LBPRGKRZSA-N -1 3 327.388 2.288 10 30 EEEEHM Cn1cc(-c2nsc([N-]C(=O)c3cc(C#N)ccc3F)n2)cn1 ZINC001539653488 1124062404 /nfs/dbraw/zinc/06/24/04/1124062404.db2.gz XCPPRECGLSQMAF-UHFFFAOYSA-N -1 3 328.332 2.202 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000351580297 465233541 /nfs/dbraw/zinc/23/35/41/465233541.db2.gz KBFTXUGBWUYGJR-LBPRGKRZSA-N -1 3 342.829 2.285 10 30 EEEEHM COc1cc(C#N)c(NCc2c([O-])c(C)ncc2CO)cc1OC ZINC000006900507 462711385 /nfs/dbraw/zinc/71/13/85/462711385.db2.gz OZPGFAQXCKGLGA-UHFFFAOYSA-N -1 3 329.356 2.089 10 30 EEEEHM C=CCCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000076492133 462868526 /nfs/dbraw/zinc/86/85/26/462868526.db2.gz YITAPAHYHGEVNZ-UHFFFAOYSA-N -1 3 340.420 2.328 10 30 EEEEHM CCCn1c(=O)[n-]nc1SCc1cccc(C(=O)OC)c1C#N ZINC000535918147 468337322 /nfs/dbraw/zinc/33/73/22/468337322.db2.gz KEKIMHOTZZDFJM-UHFFFAOYSA-N -1 3 332.385 2.344 10 30 EEEEHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cn4ccnc4s3)n2)cc1 ZINC000188618411 464325264 /nfs/dbraw/zinc/32/52/64/464325264.db2.gz QCQSVSURJWBLTO-UHFFFAOYSA-N -1 3 349.379 2.160 10 30 EEEEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)O1 ZINC000188742974 464357320 /nfs/dbraw/zinc/35/73/20/464357320.db2.gz BGQPOZRSNQAGDD-LLVKDONJSA-N -1 3 328.821 2.448 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000352870622 465562544 /nfs/dbraw/zinc/56/25/44/465562544.db2.gz KGPIJNUPUGBCPI-GFCCVEGCSA-N -1 3 328.459 2.093 10 30 EEEEHM C[C@H]1CCCCN1CCNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330805836 465810262 /nfs/dbraw/zinc/81/02/62/465810262.db2.gz KYIJXRQTQPNXNA-NSHDSACASA-N -1 3 325.482 2.458 10 30 EEEEHM N#C[C@H]1CSCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000345357477 465861250 /nfs/dbraw/zinc/86/12/50/465861250.db2.gz UXXJOUPTMHZYTQ-NSHDSACASA-N -1 3 341.230 2.165 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000580724858 468482058 /nfs/dbraw/zinc/48/20/58/468482058.db2.gz LCOGDXYEXVEWDA-UHFFFAOYSA-N -1 3 349.449 2.254 10 30 EEEEHM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccncn1 ZINC000354473307 466592476 /nfs/dbraw/zinc/59/24/76/466592476.db2.gz VQOJVLYYSQAXKW-GDBMZVCRSA-N -1 3 336.351 2.084 10 30 EEEEHM C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365983482 467012405 /nfs/dbraw/zinc/01/24/05/467012405.db2.gz VAGHZKDGPIQXNE-TZMCWYRMSA-N -1 3 346.818 2.477 10 30 EEEEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000420734223 467467633 /nfs/dbraw/zinc/46/76/33/467467633.db2.gz VSPOYOKNXLGJOK-VXGBXAGGSA-N -1 3 328.821 2.448 10 30 EEEEHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000516143202 468014161 /nfs/dbraw/zinc/01/41/61/468014161.db2.gz COWHVAJGNPQFNT-JTQLQIEISA-N -1 3 347.234 2.428 10 30 EEEEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000582729991 468586525 /nfs/dbraw/zinc/58/65/25/468586525.db2.gz QJCCNDUOECFCGX-GXFFZTMASA-N -1 3 330.837 2.287 10 30 EEEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1(CO)CC=CC1 ZINC000592101493 468623974 /nfs/dbraw/zinc/62/39/74/468623974.db2.gz NEBJXXWVBPGTFD-AWEZNQCLSA-N -1 3 340.470 2.251 10 30 EEEEHM CCCC[C@@](C)(CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000592855311 468806004 /nfs/dbraw/zinc/80/60/04/468806004.db2.gz SNUOKHPHCIXKJN-SFHVURJKSA-N -1 3 333.432 2.266 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601512658 468902259 /nfs/dbraw/zinc/90/22/59/468902259.db2.gz CJJROPOVWDNYAP-TZMCWYRMSA-N -1 3 326.443 2.246 10 30 EEEEHM N#Cc1ccc(OC2CCN(C(=O)c3cc(F)c[n-]c3=O)CC2)cc1 ZINC000598681857 468957471 /nfs/dbraw/zinc/95/74/71/468957471.db2.gz RKMYVPRSEQVWRW-UHFFFAOYSA-N -1 3 341.342 2.482 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)[C@@H]1CCCCO1 ZINC000593563265 469037512 /nfs/dbraw/zinc/03/75/12/469037512.db2.gz NNLVJOZFMUIOAI-ZDUSSCGKSA-N -1 3 328.459 2.493 10 30 EEEEHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccsc2C#N)C[C@@H](C)O1 ZINC000593593170 469050315 /nfs/dbraw/zinc/05/03/15/469050315.db2.gz REOJXDMVNFERKK-GHMZBOCLSA-N -1 3 328.459 2.492 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000599361287 469227307 /nfs/dbraw/zinc/22/73/07/469227307.db2.gz UIYSZPJTUYCKRS-SNVBAGLBSA-N -1 3 345.383 2.392 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000620317383 469810915 /nfs/dbraw/zinc/81/09/15/469810915.db2.gz OJPKGLPLZYKGMZ-OKILXGFUSA-N -1 3 339.395 2.202 10 30 EEEEHM CC#CC[C@H](CO)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000645884050 470449194 /nfs/dbraw/zinc/44/91/94/470449194.db2.gz SOGXKKRXUCRWEW-GFCCVEGCSA-N -1 3 336.240 2.187 10 30 EEEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000657036240 471945170 /nfs/dbraw/zinc/94/51/70/471945170.db2.gz CDFGKHKJIKEIBU-STQMWFEESA-N -1 3 325.434 2.079 10 30 EEEEHM O=C([C@H]1CCCCS1(=O)=O)N([O-])CCCCc1ccccc1 ZINC000904197491 694326430 /nfs/dbraw/zinc/32/64/30/694326430.db2.gz FNXFRARCOWFMBB-OAHLLOKOSA-N -1 3 325.430 2.194 10 30 EEEEHM C#CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888232708 691945785 /nfs/dbraw/zinc/94/57/85/691945785.db2.gz CPTVHBDUTCLRKP-CYBMUJFWSA-N -1 3 330.432 2.050 10 30 EEEEHM C=CCN[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC001267377158 1178919817 /nfs/dbraw/zinc/91/98/17/1178919817.db2.gz MQQNEZMJEGFVCX-AWEZNQCLSA-N -1 3 338.367 2.175 10 30 EEEEHM C[C@@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000811187813 1199916923 /nfs/dbraw/zinc/91/69/23/1199916923.db2.gz YSQYRAGULMJGHG-LLVKDONJSA-N -1 3 342.326 2.437 10 30 EEEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867322243 1285687445 /nfs/dbraw/zinc/68/74/45/1285687445.db2.gz JXIBSZBZSGRGRR-LBPRGKRZSA-N -1 3 329.834 2.425 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000797785115 1304834076 /nfs/dbraw/zinc/83/40/76/1304834076.db2.gz UBVXVLMGPBBIGJ-KBWRSPJKSA-N -1 3 345.443 2.188 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001280484755 1324250091 /nfs/dbraw/zinc/25/00/91/1324250091.db2.gz YSWIMAQPANFOSB-OLZOCXBDSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CC(C)(C)C(=O)NCCCC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001281578175 1325314201 /nfs/dbraw/zinc/31/42/01/1325314201.db2.gz VAOXGOJEIZONCR-LBPRGKRZSA-N -1 3 348.447 2.108 10 30 EEEEHM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@H]1NCC#Cc1ccccc1 ZINC001284275795 1326484685 /nfs/dbraw/zinc/48/46/85/1326484685.db2.gz ALGDNNKSXOEZEJ-GOSISDBHSA-N -1 3 349.434 2.279 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001284856490 1326746711 /nfs/dbraw/zinc/74/67/11/1326746711.db2.gz BAZKROOPYJYFDV-CABCVRRESA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCOCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001290389865 1328195849 /nfs/dbraw/zinc/19/58/49/1328195849.db2.gz CAKCPDGMAMHTKE-JKSUJKDBSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001344135367 1337366827 /nfs/dbraw/zinc/36/68/27/1337366827.db2.gz DLVDPRWJYJAHCC-ZIAGYGMSSA-N -1 3 346.431 2.004 10 30 EEEEHM C#C[C@@H]1CCCCN1c1nnc(-c2nnc(Cl)[n-]2)n1CC(C)C ZINC001344517991 1337399009 /nfs/dbraw/zinc/39/90/09/1337399009.db2.gz FMYLIJZLHWQALH-LLVKDONJSA-N -1 3 333.827 2.365 10 30 EEEEHM C#C[C@@H]1CCCCN1c1nnc(-c2n[n-]c(Cl)n2)n1CC(C)C ZINC001344517991 1337399013 /nfs/dbraw/zinc/39/90/13/1337399013.db2.gz FMYLIJZLHWQALH-LLVKDONJSA-N -1 3 333.827 2.365 10 30 EEEEHM C#CCCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001572031822 1343365227 /nfs/dbraw/zinc/36/52/27/1343365227.db2.gz RWDZAZDVKRQHRV-HUUCEWRRSA-N -1 3 328.412 2.353 10 30 EEEEHM O=C(c1cncc(-n2ccnn2)c1)N([O-])Cc1ccccc1Cl ZINC001639058575 1352693699 /nfs/dbraw/zinc/69/36/99/1352693699.db2.gz LUEYNDVVYPVQGP-UHFFFAOYSA-N -1 3 329.747 2.347 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1ccc(Cl)cc1 ZINC001655557622 1354177995 /nfs/dbraw/zinc/17/79/95/1354177995.db2.gz GCAKAWUNGVGWRZ-LLVKDONJSA-N -1 3 342.829 2.458 10 30 EEEEHM CC(C)C#CC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001681022130 1357942235 /nfs/dbraw/zinc/94/22/35/1357942235.db2.gz BINNFXGTUJXLPY-MRXNPFEDSA-N -1 3 330.428 2.312 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001684060639 1358217501 /nfs/dbraw/zinc/21/75/01/1358217501.db2.gz OGZPYBADEDIYOE-GJZGRUSLSA-N -1 3 346.427 2.046 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OC ZINC000921384459 773320150 /nfs/dbraw/zinc/32/01/50/773320150.db2.gz PIKRRWCEBWZOPX-OAHLLOKOSA-N -1 3 341.429 2.013 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](c2ncccn2)C2CC2)CCCCC1 ZINC000921417615 773346783 /nfs/dbraw/zinc/34/67/83/773346783.db2.gz LPXAZCLIFGGFSO-AWEZNQCLSA-N -1 3 334.445 2.321 10 30 EEEEHM CC(C)(Cc1ccc(C#N)cc1)[N-]S(=O)(=O)c1cccnc1F ZINC000921447371 773379458 /nfs/dbraw/zinc/37/94/58/773379458.db2.gz GZIWGALKUNBHKC-UHFFFAOYSA-N -1 3 333.388 2.392 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000816690872 784199700 /nfs/dbraw/zinc/19/97/00/784199700.db2.gz FLGMRFDQRPHGPV-HNNXBMFYSA-N -1 3 348.305 2.477 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1occc1CSc1ccccc1 ZINC000820175219 785822195 /nfs/dbraw/zinc/82/21/95/785822195.db2.gz VGPHQWKPVGJCRS-CYBMUJFWSA-N -1 3 332.381 2.292 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000820179707 785824493 /nfs/dbraw/zinc/82/44/93/785824493.db2.gz OPRRXJDOHVUEOF-HNNXBMFYSA-N -1 3 347.802 2.467 10 30 EEEEHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1 ZINC000917519976 798262271 /nfs/dbraw/zinc/26/22/71/798262271.db2.gz APUBSWHHPSJKHS-LBPRGKRZSA-N -1 3 326.356 2.088 10 30 EEEEHM O=c1ncccn1Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000917558890 798270573 /nfs/dbraw/zinc/27/05/73/798270573.db2.gz BVUKJNOFZGVZDL-UHFFFAOYSA-N -1 3 337.335 2.159 10 30 EEEEHM C=CCCCC(=O)N[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001479908125 1099301235 /nfs/dbraw/zinc/30/12/35/1099301235.db2.gz IVQMRCDEMQPMHL-HNNXBMFYSA-N -1 3 344.459 2.497 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001498986510 1108419474 /nfs/dbraw/zinc/41/94/74/1108419474.db2.gz PMCNTFJRMFPLLV-OAHLLOKOSA-N -1 3 344.459 2.352 10 30 EEEEHM COc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(OC2CCCC2)c1 ZINC001468451641 1110474771 /nfs/dbraw/zinc/47/47/71/1110474771.db2.gz CGVYRBGVJRPULQ-HNNXBMFYSA-N -1 3 348.399 2.127 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC001471086578 1110517158 /nfs/dbraw/zinc/51/71/58/1110517158.db2.gz YINJLPCGJOMYIS-UHFFFAOYSA-N -1 3 334.335 2.250 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccccc2CC#N)[n-]n1 ZINC001472090471 1110541856 /nfs/dbraw/zinc/54/18/56/1110541856.db2.gz DBQTZGXYXSPSLH-UHFFFAOYSA-N -1 3 326.356 2.222 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccccc2CC#N)n[n-]1 ZINC001472090471 1110541857 /nfs/dbraw/zinc/54/18/57/1110541857.db2.gz DBQTZGXYXSPSLH-UHFFFAOYSA-N -1 3 326.356 2.222 10 30 EEEEHM C=CCC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)CC)n1 ZINC001519536885 1119084928 /nfs/dbraw/zinc/08/49/28/1119084928.db2.gz QJRYGZZRQSUUKH-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC2(CCC2)OC[C@H]1C ZINC001524190499 1120000549 /nfs/dbraw/zinc/00/05/49/1120000549.db2.gz WKPIULQIJMGBBV-GFCCVEGCSA-N -1 3 345.403 2.363 10 30 EEEEHM C[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)CC#Cc1ccccc1 ZINC001526402411 1120513423 /nfs/dbraw/zinc/51/34/23/1120513423.db2.gz PWPXSVXTNYWKBO-HNNXBMFYSA-N -1 3 336.391 2.069 10 30 EEEEHM C=C(C)CCC(=O)NC[C@H](NC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001532751645 1122921614 /nfs/dbraw/zinc/92/16/14/1122921614.db2.gz IOKQPZVTVGRCRW-HNNXBMFYSA-N -1 3 343.431 2.185 10 30 EEEEHM Cc1nc(C)c(CCC(=O)NCc2cn3c(n2)CCCC3)c(=O)[n-]1 ZINC000328798179 539761521 /nfs/dbraw/zinc/76/15/21/539761521.db2.gz WMLDAQYLXJNREG-UHFFFAOYSA-N -1 3 329.404 2.421 10 30 EEEEHM C=CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OCC ZINC000456620333 244305934 /nfs/dbraw/zinc/30/59/34/244305934.db2.gz CSBUGTNCYXYPDP-AWEZNQCLSA-N -1 3 328.368 2.156 10 30 EEEEHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(C#N)c(F)c1 ZINC000191735521 152270542 /nfs/dbraw/zinc/27/05/42/152270542.db2.gz OCDNXBVYHBZRHI-UHFFFAOYSA-N -1 3 333.344 2.168 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377287543 154125832 /nfs/dbraw/zinc/12/58/32/154125832.db2.gz SEDDIEPIMFNJNJ-GDBMZVCRSA-N -1 3 343.408 2.152 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375385311 167123391 /nfs/dbraw/zinc/12/33/91/167123391.db2.gz XHXYNNBUZAJLSS-LJQANCHMSA-N -1 3 343.427 2.237 10 30 EEEEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489208018 270020930 /nfs/dbraw/zinc/02/09/30/270020930.db2.gz QBMWARZFYJFOHN-MRXNPFEDSA-N -1 3 343.408 2.291 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000428392040 289987853 /nfs/dbraw/zinc/98/78/53/289987853.db2.gz SFTBYIBHVNLHIP-NVGCLXPQSA-N -1 3 343.408 2.185 10 30 EEEEHM CCc1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1[O-] ZINC000546904867 318270058 /nfs/dbraw/zinc/27/00/58/318270058.db2.gz JTEPBCJEOAQHMP-UHFFFAOYSA-N -1 3 336.395 2.184 10 30 EEEEHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000350970147 465046732 /nfs/dbraw/zinc/04/67/32/465046732.db2.gz HOHNJHYAFPQZSV-UHFFFAOYSA-N -1 3 330.413 2.467 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000171620530 463894349 /nfs/dbraw/zinc/89/43/49/463894349.db2.gz OAVXOTFODUMPDD-UHFFFAOYSA-N -1 3 335.316 2.084 10 30 EEEEHM C[C@@H]1CN(c2ccc(CNC(=O)c3csc(=O)[n-]3)cn2)C[C@H](C)O1 ZINC000329935208 465479423 /nfs/dbraw/zinc/47/94/23/465479423.db2.gz KHADVSLRUAFFPI-PHIMTYICSA-N -1 3 348.428 2.362 10 30 EEEEHM CC#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000341042704 466535701 /nfs/dbraw/zinc/53/57/01/466535701.db2.gz LEPNYBZNQPNRCX-UHFFFAOYSA-N -1 3 349.387 2.050 10 30 EEEEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c(OC)c1 ZINC000528509134 467691763 /nfs/dbraw/zinc/69/17/63/467691763.db2.gz XSCMVBIHXKKGLJ-NSHDSACASA-N -1 3 347.396 2.010 10 30 EEEEHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593567471 469040133 /nfs/dbraw/zinc/04/01/33/469040133.db2.gz PIXHYKRYHRVILY-CYBMUJFWSA-N -1 3 333.438 2.085 10 30 EEEEHM Cc1nc([C@](C)([N-]S(=O)(=O)c2cc(C#N)ccc2C)C2CC2)no1 ZINC000574112266 469261650 /nfs/dbraw/zinc/26/16/50/469261650.db2.gz DBAXFLJKLJVCER-MRXNPFEDSA-N -1 3 346.412 2.162 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000599483745 469272481 /nfs/dbraw/zinc/27/24/81/469272481.db2.gz WCNHNMOYAJBMQJ-GWCFXTLKSA-N -1 3 326.805 2.057 10 30 EEEEHM C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1cn[n-]c1C ZINC000732218962 577159462 /nfs/dbraw/zinc/15/94/62/577159462.db2.gz ULRGLZBBYXFJAG-UHFFFAOYSA-N -1 3 336.369 2.035 10 30 EEEEHM CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1ccc([O-])cn1 ZINC000755662071 577828729 /nfs/dbraw/zinc/82/87/29/577828729.db2.gz SOQBZGYQNUIOOC-UHFFFAOYSA-N -1 3 348.428 2.310 10 30 EEEEHM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2[O-])cc1 ZINC000936438032 686203567 /nfs/dbraw/zinc/20/35/67/686203567.db2.gz NCOXCQZWYGRLNU-IRXDYDNUSA-N -1 3 346.386 2.113 10 30 EEEEHM C[C@@H](NCc1cc(C#N)ccc1F)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001485135091 1191659594 /nfs/dbraw/zinc/65/95/94/1191659594.db2.gz BUEUUCKHGJVRGJ-NEPJUHHUSA-N -1 3 342.374 2.095 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC(=C)Br)c1 ZINC001626096991 1194411934 /nfs/dbraw/zinc/41/19/34/1194411934.db2.gz AFAFPGRTZXCBRU-UHFFFAOYSA-N -1 3 325.162 2.155 10 30 EEEEHM N#Cc1cc(C(F)(F)F)cc(N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000865758930 1198363035 /nfs/dbraw/zinc/36/30/35/1198363035.db2.gz OZAIHNYHSWZKCP-UHFFFAOYSA-N -1 3 339.277 2.445 10 30 EEEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)C(=O)OCC ZINC000867588626 1201639387 /nfs/dbraw/zinc/63/93/87/1201639387.db2.gz GIFFHTXPJCZGFA-JTQLQIEISA-N -1 3 345.795 2.025 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867847487 1201692948 /nfs/dbraw/zinc/69/29/48/1201692948.db2.gz AVTBUNRGWSMLAG-NXEZZACHSA-N -1 3 331.319 2.129 10 30 EEEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000882848823 1201956610 /nfs/dbraw/zinc/95/66/10/1201956610.db2.gz RSGXHUHRRUKUKP-CYBMUJFWSA-N -1 3 338.454 2.416 10 30 EEEEHM COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1C#N ZINC001412392994 1205712563 /nfs/dbraw/zinc/71/25/63/1205712563.db2.gz USUZEKHOJLXKSN-UHFFFAOYSA-N -1 3 345.380 2.191 10 30 EEEEHM COc1ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)cc1Cl ZINC000901771600 1236298382 /nfs/dbraw/zinc/29/83/82/1236298382.db2.gz FJVDQXOFOLZDOV-JTQLQIEISA-N -1 3 342.726 2.471 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CC[C@H](c3cccc(F)c3)C1)cc2=O ZINC001193914511 1282783410 /nfs/dbraw/zinc/78/34/10/1282783410.db2.gz VCQMXEJIHIBLDP-ZDUSSCGKSA-N -1 3 337.358 2.435 10 30 EEEEHM CCN(CCCNC(=O)c1ncccc1[O-])Cc1ccccc1C#N ZINC001490325888 1291220934 /nfs/dbraw/zinc/22/09/34/1291220934.db2.gz XSKGMRHCSCMLEM-UHFFFAOYSA-N -1 3 338.411 2.301 10 30 EEEEHM C=CCC1(C(=O)N2CC(CNC(=O)c3ccccc3[O-])C2)CCC1 ZINC001284953119 1326792724 /nfs/dbraw/zinc/79/27/24/1326792724.db2.gz UCPXYSWYMKKYCO-UHFFFAOYSA-N -1 3 328.412 2.327 10 30 EEEEHM C=CC1(CC(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001316637722 1326903126 /nfs/dbraw/zinc/90/31/26/1326903126.db2.gz GTOQVPZLAKAUJP-HDJSIYSDSA-N -1 3 347.463 2.021 10 30 EEEEHM C=C[C@H](CC)CC(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288217259 1327672958 /nfs/dbraw/zinc/67/29/58/1327672958.db2.gz SSMDBXZHCONWDE-TZMCWYRMSA-N -1 3 348.447 2.045 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001298541081 1330098513 /nfs/dbraw/zinc/09/85/13/1330098513.db2.gz BKSWXATUTVSWFW-CQSZACIVSA-N -1 3 345.330 2.123 10 30 EEEEHM C#CCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001335249387 1336354661 /nfs/dbraw/zinc/35/46/61/1336354661.db2.gz OKEGQTHCUHTFKS-MRXNPFEDSA-N -1 3 328.412 2.163 10 30 EEEEHM C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1CNC(=O)C#CC1CC1 ZINC001357072051 1338946329 /nfs/dbraw/zinc/94/63/29/1338946329.db2.gz ZTZACVBTLUPXOP-PBHICJAKSA-N -1 3 340.423 2.163 10 30 EEEEHM NC(=O)c1cn(CC(=O)N([O-])Cc2ccc(F)cc2)c2ccccc12 ZINC001611667185 1352303523 /nfs/dbraw/zinc/30/35/23/1352303523.db2.gz RSSLEHPWRBLOMV-UHFFFAOYSA-N -1 3 341.342 2.297 10 30 EEEEHM CCCCCCN([O-])C(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC001559034935 1342496133 /nfs/dbraw/zinc/49/61/33/1342496133.db2.gz VNPWPQXFBFBVBO-UHFFFAOYSA-N -1 3 342.461 2.380 10 30 EEEEHM O=C(c1cc2c(=O)[nH]cnc2cn1)N([O-])Cc1ccccc1Cl ZINC001559033533 1342496326 /nfs/dbraw/zinc/49/63/26/1342496326.db2.gz MHVWJNRIZCQTJB-UHFFFAOYSA-N -1 3 330.731 2.415 10 30 EEEEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)CCCCCC#N)C2)n1 ZINC001644716994 1352767480 /nfs/dbraw/zinc/76/74/80/1352767480.db2.gz KGNBWMNGGGTVRK-CQSZACIVSA-N -1 3 331.420 2.050 10 30 EEEEHM C=C1CN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC001645283694 1352775080 /nfs/dbraw/zinc/77/50/80/1352775080.db2.gz PPUPUTUYUJYLLL-UHFFFAOYSA-N -1 3 343.408 2.350 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001665328115 1355293465 /nfs/dbraw/zinc/29/34/65/1355293465.db2.gz BHLYOCJSTKNALJ-IBGZPJMESA-N -1 3 344.459 2.210 10 30 EEEEHM Cc1ccc(F)c(Br)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000908404857 785387640 /nfs/dbraw/zinc/38/76/40/785387640.db2.gz CKNVGKGPHDMAKH-SECBINFHSA-N -1 3 345.168 2.007 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000819892501 785703093 /nfs/dbraw/zinc/70/30/93/785703093.db2.gz CKMQECLGJXMTNM-KWQFWETISA-N -1 3 337.228 2.258 10 30 EEEEHM COc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Cl)n1 ZINC000793417608 810343317 /nfs/dbraw/zinc/34/33/17/810343317.db2.gz XXJSKJZAPHWYRA-UHFFFAOYSA-N -1 3 338.776 2.120 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001450158649 1105251391 /nfs/dbraw/zinc/25/13/91/1105251391.db2.gz PYFTYQNOSADBDR-OAHLLOKOSA-N -1 3 334.391 2.425 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001450276293 1105344069 /nfs/dbraw/zinc/34/40/69/1105344069.db2.gz ZMMFDAXOKRXWNV-GOSISDBHSA-N -1 3 334.375 2.196 10 30 EEEEHM C=CCCC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000182597358 539590756 /nfs/dbraw/zinc/59/07/56/539590756.db2.gz KGTJQSJRHIXXAZ-STQMWFEESA-N -1 3 342.436 2.354 10 30 EEEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000451739746 243239394 /nfs/dbraw/zinc/23/93/94/243239394.db2.gz XXQZWQUJSXYRJZ-UWVGGRQHSA-N -1 3 333.335 2.461 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3ccccc3C2)c(F)c1 ZINC000360256646 164269267 /nfs/dbraw/zinc/26/92/67/164269267.db2.gz HKEWYBPYSJSMJG-OAHLLOKOSA-N -1 3 346.383 2.120 10 30 EEEEHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)C2CC2)no1 ZINC000581703877 324305030 /nfs/dbraw/zinc/30/50/30/324305030.db2.gz PBISLUZLLVEPQR-MRXNPFEDSA-N -1 3 346.412 2.162 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000065516869 462785810 /nfs/dbraw/zinc/78/58/10/462785810.db2.gz WNDFLPGRYVQLKZ-SJLPKXTDSA-N -1 3 335.407 2.468 10 30 EEEEHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccc(F)cn2)NC1=O ZINC000080436337 463318734 /nfs/dbraw/zinc/31/87/34/463318734.db2.gz FBNBTRYCMNSSQR-JOYOIKCWSA-N -1 3 325.299 2.430 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C[C@@H]2CCCO2)no1 ZINC000264618734 464397262 /nfs/dbraw/zinc/39/72/62/464397262.db2.gz QELAWFCPMVQZOA-LBPRGKRZSA-N -1 3 328.372 2.165 10 30 EEEEHM C=CCN(Cc1ccccc1F)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338756038 466358320 /nfs/dbraw/zinc/35/83/20/466358320.db2.gz PEJNIBMXCZJEIZ-UHFFFAOYSA-N -1 3 330.363 2.216 10 30 EEEEHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000428280558 467218866 /nfs/dbraw/zinc/21/88/66/467218866.db2.gz AVAVWLPUIJFVPZ-UHFFFAOYSA-N -1 3 337.376 2.213 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000528553625 467702233 /nfs/dbraw/zinc/70/22/33/467702233.db2.gz OZXNGYUSAKBRES-QOBXEIRBSA-N -1 3 328.821 2.302 10 30 EEEEHM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000530156310 467954792 /nfs/dbraw/zinc/95/47/92/467954792.db2.gz XLOUVFMVWBMOOE-QMMMGPOBSA-N -1 3 338.307 2.174 10 30 EEEEHM C[C@H](O)[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccccc1F ZINC000582550901 468557050 /nfs/dbraw/zinc/55/70/50/468557050.db2.gz GDPXDFAYOMZEJC-FZMZJTMJSA-N -1 3 328.409 2.107 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601411604 468863068 /nfs/dbraw/zinc/86/30/68/468863068.db2.gz XUUWTTWGHQOTCQ-PWSUYJOCSA-N -1 3 346.430 2.224 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OC ZINC000601501618 468897557 /nfs/dbraw/zinc/89/75/57/468897557.db2.gz DYPFKSJFWQDKGF-ZDUSSCGKSA-N -1 3 331.821 2.267 10 30 EEEEHM CO[C@H](C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1)C1CCCC1 ZINC000598685551 468958380 /nfs/dbraw/zinc/95/83/80/468958380.db2.gz MWYWJJIIFBGYHK-INIZCTEOSA-N -1 3 339.399 2.013 10 30 EEEEHM C[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)N1CCC(C)CC1 ZINC000593536256 469023506 /nfs/dbraw/zinc/02/35/06/469023506.db2.gz OYVXBMBMZBJPKC-GFCCVEGCSA-N -1 3 327.475 2.018 10 30 EEEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000593566712 469038336 /nfs/dbraw/zinc/03/83/36/469038336.db2.gz NZGNCOCJMIMYLK-GFCCVEGCSA-N -1 3 344.458 2.264 10 30 EEEEHM Cc1nc(CC[N-]S(=O)(=O)c2ccsc2C#N)sc1C ZINC000593566739 469038703 /nfs/dbraw/zinc/03/87/03/469038703.db2.gz OCRFACVBLXPGAS-UHFFFAOYSA-N -1 3 327.456 2.214 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000593601828 469054946 /nfs/dbraw/zinc/05/49/46/469054946.db2.gz QTJQBSXLABQQMS-CHWSQXEVSA-N -1 3 349.437 2.213 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000593604854 469056056 /nfs/dbraw/zinc/05/60/56/469056056.db2.gz BIJUSXCYPMANAZ-DGCLKSJQSA-N -1 3 349.437 2.213 10 30 EEEEHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000616453596 469451757 /nfs/dbraw/zinc/45/17/57/469451757.db2.gz BDDLJNSVUXLJPE-INIZCTEOSA-N -1 3 340.420 2.307 10 30 EEEEHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000617464989 469687611 /nfs/dbraw/zinc/68/76/11/469687611.db2.gz KVFVTGGVURQUNJ-LBPRGKRZSA-N -1 3 331.397 2.391 10 30 EEEEHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1=COCCC1 ZINC000759243116 577639708 /nfs/dbraw/zinc/63/97/08/577639708.db2.gz RXKHZMASAPLZEK-CYBMUJFWSA-N -1 3 344.367 2.394 10 30 EEEEHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C1=COCCC1 ZINC000759243116 577639709 /nfs/dbraw/zinc/63/97/09/577639709.db2.gz RXKHZMASAPLZEK-CYBMUJFWSA-N -1 3 344.367 2.394 10 30 EEEEHM O=C1[C@H](NCc2cccc(F)c2OCC(F)(F)F)CCCN1[O-] ZINC000895156451 684142353 /nfs/dbraw/zinc/14/23/53/684142353.db2.gz CHHXRIWXIKLHRX-LLVKDONJSA-N -1 3 336.285 2.237 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895631665 684669570 /nfs/dbraw/zinc/66/95/70/684669570.db2.gz QTECBFHYHSGOCH-QLFBSQMISA-N -1 3 345.447 2.195 10 30 EEEEHM C#CCN(CC(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000928712978 687129023 /nfs/dbraw/zinc/12/90/23/687129023.db2.gz ZAVFHGWWGYBJHQ-UHFFFAOYSA-N -1 3 336.363 2.018 10 30 EEEEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174904 694320143 /nfs/dbraw/zinc/32/01/43/694320143.db2.gz LCMXQBIZQCZVID-SMDDNHRTSA-N -1 3 340.420 2.491 10 30 EEEEHM CCCCCCN([O-])C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000904207029 694322093 /nfs/dbraw/zinc/32/20/93/694322093.db2.gz OBYZIMMIGAKRAH-UHFFFAOYSA-N -1 3 326.397 2.032 10 30 EEEEHM C=CCOc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC000898205074 691893838 /nfs/dbraw/zinc/89/38/38/691893838.db2.gz JFMZYPYESRMETJ-ZDUSSCGKSA-N -1 3 343.383 2.318 10 30 EEEEHM C#CCCOc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898220823 691899122 /nfs/dbraw/zinc/89/91/22/691899122.db2.gz CGSDDDNECXNPHV-AWEZNQCLSA-N -1 3 325.368 2.147 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)CC1 ZINC000872671381 1198326585 /nfs/dbraw/zinc/32/65/85/1198326585.db2.gz TWKSDASKKHUDLV-AULYBMBSSA-N -1 3 339.388 2.083 10 30 EEEEHM N#CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)C(F)(F)F ZINC000901771706 1236298978 /nfs/dbraw/zinc/29/89/78/1236298978.db2.gz LHNORDUOOCGLDG-ZDUSSCGKSA-N -1 3 346.330 2.328 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)OC ZINC001194897509 1283350189 /nfs/dbraw/zinc/35/01/89/1283350189.db2.gz YBDVTQKETTUBHN-ZDUSSCGKSA-N -1 3 333.356 2.141 10 30 EEEEHM C[C@H]1C(NN=c2ncc(Cl)c[n-]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000857221293 1293761240 /nfs/dbraw/zinc/76/12/40/1293761240.db2.gz XSHCTRCVKAMEOG-QMMMGPOBSA-N -1 3 339.783 2.454 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H]1CCCCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001290568209 1328233331 /nfs/dbraw/zinc/23/33/31/1328233331.db2.gz XMVWRXNVKMYXIL-CQSZACIVSA-N -1 3 346.431 2.040 10 30 EEEEHM N#CCOc1cccc(CC(=O)[N-]OCCOc2ccccc2)c1 ZINC001305279419 1331423326 /nfs/dbraw/zinc/42/33/26/1331423326.db2.gz OYKBXUWJXSVPFH-UHFFFAOYSA-N -1 3 326.352 2.258 10 30 EEEEHM C#CC1CCN(c2nnc(-c3nn(-c4ccccc4)cc3[O-])n2C)CC1 ZINC001338015564 1336775376 /nfs/dbraw/zinc/77/53/76/1336775376.db2.gz PBSKCWALKVBYFB-UHFFFAOYSA-N -1 3 348.410 2.223 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](CCF)C1 ZINC001339091245 1336957815 /nfs/dbraw/zinc/95/78/15/1336957815.db2.gz QKZZFBXIFUQECK-JTQLQIEISA-N -1 3 339.806 2.479 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](CCF)C1 ZINC001339091245 1336957816 /nfs/dbraw/zinc/95/78/16/1336957816.db2.gz QKZZFBXIFUQECK-JTQLQIEISA-N -1 3 339.806 2.479 10 30 EEEEHM CC(C)(C)C#CC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001340913249 1337265884 /nfs/dbraw/zinc/26/58/84/1337265884.db2.gz UXLVMLFQHLELJK-GOEBONIOSA-N -1 3 340.423 2.115 10 30 EEEEHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(I)cc1[O-] ZINC001567503659 1342773108 /nfs/dbraw/zinc/77/31/08/1342773108.db2.gz ZBOLPIDBWJTZFS-HTRCEHHLSA-N -1 3 328.109 2.095 10 30 EEEEHM C=CCC(C)(C)C(=O)NC[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001569375001 1342860938 /nfs/dbraw/zinc/86/09/38/1342860938.db2.gz PQEFGYAQMQDCOG-HNNXBMFYSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N(C)CCN(C(=O)c1cnc[n-]c1=O)C(C)C ZINC001572508898 1343503539 /nfs/dbraw/zinc/50/35/39/1343503539.db2.gz YUPYRHKUYBEPCP-AWEZNQCLSA-N -1 3 348.447 2.094 10 30 EEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001663418015 1354960332 /nfs/dbraw/zinc/96/03/32/1354960332.db2.gz VUIGSADORHIKLR-VIFPVBQESA-N -1 3 344.845 2.266 10 30 EEEEHM C=C[C@H](CC)CC(=O)NCC1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001665320750 1355292150 /nfs/dbraw/zinc/29/21/50/1355292150.db2.gz UEOPQERERMINOP-CYBMUJFWSA-N -1 3 344.459 2.210 10 30 EEEEHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](c2ncccn2)C2CC2)c1 ZINC000921417419 773346575 /nfs/dbraw/zinc/34/65/75/773346575.db2.gz FYIDGHJUWPUYJE-HNNXBMFYSA-N -1 3 346.387 2.058 10 30 EEEEHM COc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816694095 784200664 /nfs/dbraw/zinc/20/06/64/784200664.db2.gz YIZADUCAWAXAIF-NSHDSACASA-N -1 3 332.381 2.144 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000816692796 784201338 /nfs/dbraw/zinc/20/13/38/784201338.db2.gz WDROLZIEAQBVQT-JTQLQIEISA-N -1 3 337.788 2.183 10 30 EEEEHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756531 784243008 /nfs/dbraw/zinc/24/30/08/784243008.db2.gz ZFFXKLJJGHHPGK-KWQFWETISA-N -1 3 347.198 2.257 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000820179043 785823713 /nfs/dbraw/zinc/82/37/13/785823713.db2.gz DVICXPDNUQJYKO-QGZVFWFLSA-N -1 3 349.390 2.410 10 30 EEEEHM N#C[C@@]1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCSC1 ZINC000824991227 788390873 /nfs/dbraw/zinc/39/08/73/788390873.db2.gz UJYFNNBHLVWVFQ-AWEZNQCLSA-N -1 3 349.366 2.010 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccnc1F ZINC000794003043 810634470 /nfs/dbraw/zinc/63/44/70/810634470.db2.gz VXPWBGSXPYZXEV-UHFFFAOYSA-N -1 3 328.347 2.059 10 30 EEEEHM C#CCCCCC(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001497059526 1101904221 /nfs/dbraw/zinc/90/42/21/1101904221.db2.gz CQYLVQCAENBDNZ-OAHLLOKOSA-N -1 3 328.412 2.307 10 30 EEEEHM CCCCCCCCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)C[C@@H]1C ZINC001511296034 1118044831 /nfs/dbraw/zinc/04/48/31/1118044831.db2.gz PEZXKGRECIKTMK-KBPBESRZSA-N -1 3 335.452 2.275 10 30 EEEEHM CCCN(CC[N-]C(=O)C(F)F)C(=O)CC(F)(F)C(F)(F)F ZINC001529442938 1121445562 /nfs/dbraw/zinc/44/55/62/1121445562.db2.gz SPZYAOXKANBUKH-UHFFFAOYSA-N -1 3 340.239 2.194 10 30 EEEEHM Cn1cc(-c2nsc([N-]C(=O)c3ccc(C#N)cc3F)n2)cn1 ZINC001539660985 1124062250 /nfs/dbraw/zinc/06/22/50/1124062250.db2.gz HIZUHXTUFDJGEW-UHFFFAOYSA-N -1 3 328.332 2.202 10 30 EEEEHM N#Cc1ccc(OCCNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000074374483 292174915 /nfs/dbraw/zinc/17/49/15/292174915.db2.gz SKKIOENLDCHOMW-UHFFFAOYSA-N -1 3 329.331 2.281 10 30 EEEEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C#N)cc2C)ccc1F ZINC000355795895 163304924 /nfs/dbraw/zinc/30/49/24/163304924.db2.gz WKJLABYLZPDNNQ-UHFFFAOYSA-N -1 3 347.371 2.166 10 30 EEEEHM COc1cc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1C#N ZINC000436569917 267590888 /nfs/dbraw/zinc/59/08/88/267590888.db2.gz KINHROZTGHMHKP-UHFFFAOYSA-N -1 3 339.351 2.161 10 30 EEEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000163556871 311384706 /nfs/dbraw/zinc/38/47/06/311384706.db2.gz WHPVURCTUFFPJP-MRXNPFEDSA-N -1 3 342.436 2.304 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000184838075 465028726 /nfs/dbraw/zinc/02/87/26/465028726.db2.gz LNPZVXPXCGYRTA-LBPRGKRZSA-N -1 3 338.429 2.473 10 30 EEEEHM CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000071915433 463471949 /nfs/dbraw/zinc/47/19/49/463471949.db2.gz FYEOLGUVCCCWBF-CVEARBPZSA-N -1 3 345.443 2.116 10 30 EEEEHM Cn1cc(C#N)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178627193 463932487 /nfs/dbraw/zinc/93/24/87/463932487.db2.gz FOEGJQALAAESKU-UHFFFAOYSA-N -1 3 334.173 2.295 10 30 EEEEHM COC1(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)CCCCC1 ZINC000295097669 464703633 /nfs/dbraw/zinc/70/36/33/464703633.db2.gz GQNXDDXTCREHSN-UHFFFAOYSA-N -1 3 340.420 2.466 10 30 EEEEHM C#CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000285900927 464736281 /nfs/dbraw/zinc/73/62/81/464736281.db2.gz RYQNDPWIBQDTMQ-QGZVFWFLSA-N -1 3 337.423 2.482 10 30 EEEEHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1OCC ZINC000295858053 464988915 /nfs/dbraw/zinc/98/89/15/464988915.db2.gz DZHBXDHOEDARHV-MRXNPFEDSA-N -1 3 344.436 2.393 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000353159541 465682810 /nfs/dbraw/zinc/68/28/10/465682810.db2.gz ZFJACHYTQGLHBU-AWEZNQCLSA-N -1 3 345.848 2.310 10 30 EEEEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000344958642 465806689 /nfs/dbraw/zinc/80/66/89/465806689.db2.gz BWWYAILWOSTWRI-UHFFFAOYSA-N -1 3 341.389 2.212 10 30 EEEEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000305195352 466375581 /nfs/dbraw/zinc/37/55/81/466375581.db2.gz IHTUKXWQJVBBOW-HNNXBMFYSA-N -1 3 328.409 2.163 10 30 EEEEHM Cc1nc2ccc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)cc2[nH]1 ZINC000427745528 467175724 /nfs/dbraw/zinc/17/57/24/467175724.db2.gz DIBDPLLHGMYOJR-UHFFFAOYSA-N -1 3 327.369 2.247 10 30 EEEEHM CCCn1c(=O)[n-]nc1S(=O)(=O)CCC1(C#N)CCCCC1 ZINC000414202539 467390847 /nfs/dbraw/zinc/39/08/47/467390847.db2.gz DAXZIGHIKWDJCA-UHFFFAOYSA-N -1 3 326.422 2.032 10 30 EEEEHM CCC(CC)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)OC ZINC000490553866 468218397 /nfs/dbraw/zinc/21/83/97/468218397.db2.gz DBASAGZDSKZBTA-UHFFFAOYSA-N -1 3 328.409 2.322 10 30 EEEEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCCC#N)cc1OC ZINC000594241646 468525670 /nfs/dbraw/zinc/52/56/70/468525670.db2.gz FEDKBAXNNFUNHO-UHFFFAOYSA-N -1 3 339.417 2.479 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)CCCC1 ZINC000594473105 468598888 /nfs/dbraw/zinc/59/88/88/468598888.db2.gz KTEFHSWVUZKBGG-LSDHHAIUSA-N -1 3 326.462 2.337 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C)c1ccc(F)cc1 ZINC000600668340 468615171 /nfs/dbraw/zinc/61/51/71/468615171.db2.gz LFRJAFVNBLYBBQ-DZGCQCFKSA-N -1 3 326.393 2.125 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C#N)c1C)C1CCOCC1 ZINC000592351980 468681267 /nfs/dbraw/zinc/68/12/67/468681267.db2.gz LEMMBGFNSUGHFS-INIZCTEOSA-N -1 3 338.429 2.050 10 30 EEEEHM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000595396118 468838393 /nfs/dbraw/zinc/83/83/93/468838393.db2.gz XZTBLYQCZWMMFT-DGCLKSJQSA-N -1 3 336.438 2.063 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCn2nccc21 ZINC000601541266 468912803 /nfs/dbraw/zinc/91/28/03/468912803.db2.gz TZOWTSMZXXAMGY-LBPRGKRZSA-N -1 3 336.804 2.222 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000593596077 469051553 /nfs/dbraw/zinc/05/15/53/469051553.db2.gz NQYUFGJDAABGIG-BBRMVZONSA-N -1 3 348.449 2.064 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@@](C)(C#N)C1)c2=O ZINC000612397348 469455572 /nfs/dbraw/zinc/45/55/72/469455572.db2.gz GFUZGUXEBGKKAN-SFHVURJKSA-N -1 3 325.368 2.303 10 30 EEEEHM CC#CC[C@@H](CO)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651756362 471105443 /nfs/dbraw/zinc/10/54/43/471105443.db2.gz SXILPJJMVSVWET-VIFPVBQESA-N -1 3 342.269 2.249 10 30 EEEEHM COC(=O)[C@@H](OC(=O)c1c([O-])cccc1F)c1ccc(C#N)cc1 ZINC000772597945 577284711 /nfs/dbraw/zinc/28/47/11/577284711.db2.gz VMLHJPGQVOOLCL-HNNXBMFYSA-N -1 3 329.283 2.474 10 30 EEEEHM COC(=O)c1sc2ncc(C(C)=NN=c3cc[n-]n3C)cc2c1C ZINC000774413914 577398046 /nfs/dbraw/zinc/39/80/46/577398046.db2.gz QCDICIMGFVCMAK-UHFFFAOYSA-N -1 3 343.412 2.383 10 30 EEEEHM COc1cccc(N2C[C@H](/N=C\c3ccc(O)c([O-])c3O)CC2=O)c1 ZINC000750949706 577745836 /nfs/dbraw/zinc/74/58/36/577745836.db2.gz IAOYWQZWJKUNRA-WDDBSPGISA-N -1 3 342.351 2.036 10 30 EEEEHM COC[C@@H](C)C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000755887464 577833554 /nfs/dbraw/zinc/83/35/54/577833554.db2.gz KPEVTYISQZPNJY-GXFFZTMASA-N -1 3 334.401 2.196 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000904205049 694328227 /nfs/dbraw/zinc/32/82/27/694328227.db2.gz YQAFXROQPOLFEB-HZPDHXFCSA-N -1 3 338.448 2.226 10 30 EEEEHM CCCCCCN([O-])C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000904205236 694328268 /nfs/dbraw/zinc/32/82/68/694328268.db2.gz CINHLZYXHREOQK-UHFFFAOYSA-N -1 3 338.404 2.232 10 30 EEEEHM O=C([N-]CC(F)(C(F)(F)F)C(F)(F)F)C1(F)CCOCC1 ZINC000899093197 693599274 /nfs/dbraw/zinc/59/92/74/693599274.db2.gz PGSXYPNHNDXLDJ-UHFFFAOYSA-N -1 3 329.187 2.454 10 30 EEEEHM O=C(CCn1cnc2sccc2c1=O)N([O-])Cc1ccc(F)cc1 ZINC001649070151 1193506382 /nfs/dbraw/zinc/50/63/82/1193506382.db2.gz SUAPDSPHEAKBLE-UHFFFAOYSA-N -1 3 347.371 2.405 10 30 EEEEHM C[C@@H](CC(=O)O[C@H]1C=CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000870637401 1200783779 /nfs/dbraw/zinc/78/37/79/1200783779.db2.gz HPCSHVYGJXPMEO-STQMWFEESA-N -1 3 348.424 2.156 10 30 EEEEHM O=C(CCc1ccc(F)c2ccccc12)N[C@H]1CCCN([O-])C1=O ZINC000868562491 1201835375 /nfs/dbraw/zinc/83/53/75/1201835375.db2.gz GFWUGTCPGJZSGJ-INIZCTEOSA-N -1 3 330.359 2.408 10 30 EEEEHM C#CCC1(O)CCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000882970916 1201987688 /nfs/dbraw/zinc/98/76/88/1201987688.db2.gz SLZHEWQBHLHEKM-UHFFFAOYSA-N -1 3 338.411 2.161 10 30 EEEEHM C=C1CCC(C(=O)N2CCC(CC)(NCc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001273783032 1285663514 /nfs/dbraw/zinc/66/35/14/1285663514.db2.gz SSMAXMMBIHXNLD-UHFFFAOYSA-N -1 3 347.463 2.118 10 30 EEEEHM C=CCCC(=O)N[C@H](CCNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001487605172 1286178727 /nfs/dbraw/zinc/17/87/27/1286178727.db2.gz XLQKMGYMXAULBF-CQSZACIVSA-N -1 3 343.431 2.185 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2sccc2nc1Cl ZINC000854649029 1292905472 /nfs/dbraw/zinc/90/54/72/1292905472.db2.gz OQNGMBBHUPUZJV-VIFPVBQESA-N -1 3 325.777 2.060 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCC ZINC001213546538 1296083113 /nfs/dbraw/zinc/08/31/13/1296083113.db2.gz MDYZRITWPQXUDJ-CQSZACIVSA-N -1 3 329.462 2.384 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(C)CCOCCNC(=O)c1ccccc1[O-] ZINC001287390862 1327490617 /nfs/dbraw/zinc/49/06/17/1327490617.db2.gz XQVIMWJVNNLJNP-UHFFFAOYSA-N -1 3 348.443 2.199 10 30 EEEEHM C#CCn1cc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)cn1 ZINC001156662016 1318146133 /nfs/dbraw/zinc/14/61/33/1318146133.db2.gz STBZOWACRFAHGU-UHFFFAOYSA-N -1 3 325.265 2.203 10 30 EEEEHM O=Cc1ccc(-c2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)cc1 ZINC001159642071 1319930659 /nfs/dbraw/zinc/93/06/59/1319930659.db2.gz STHMUGSHIDDJFH-KRWDZBQOSA-N -1 3 338.363 2.276 10 30 EEEEHM C=CC(C)(C)C(=O)N[C@@H](CCCC)CNC(=O)c1c(C)nc[n-]c1=O ZINC001280595861 1324325457 /nfs/dbraw/zinc/32/54/57/1324325457.db2.gz AVGHDRNCCUQUKK-ZDUSSCGKSA-N -1 3 348.447 2.108 10 30 EEEEHM C=CCCCN1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1[O-])O2 ZINC001280917246 1324634086 /nfs/dbraw/zinc/63/40/86/1324634086.db2.gz BIZIFRDEVHGDDN-HNNXBMFYSA-N -1 3 330.428 2.322 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001281313276 1324956908 /nfs/dbraw/zinc/95/69/08/1324956908.db2.gz XRHKRHCXGCAFJQ-GXTWGEPZSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCCCC(=O)N1CCCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001281463670 1325130903 /nfs/dbraw/zinc/13/09/03/1325130903.db2.gz GBSCBJIUEMGZJX-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001285688115 1327109467 /nfs/dbraw/zinc/10/94/67/1327109467.db2.gz WKAJGXLDCLFYFB-QWHCGFSZSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001288623010 1327869085 /nfs/dbraw/zinc/86/90/85/1327869085.db2.gz AFWBUYAQLMRZIK-GFCCVEGCSA-N -1 3 348.447 2.060 10 30 EEEEHM C=CCCCC(=O)NC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001295628753 1329827225 /nfs/dbraw/zinc/82/72/25/1329827225.db2.gz LFEKRONGNYQSNI-ZDUSSCGKSA-N -1 3 341.411 2.119 10 30 EEEEHM O=C(C#CC1CC1)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298893770 1330131913 /nfs/dbraw/zinc/13/19/13/1330131913.db2.gz LORSMQOGXKLBKG-DOTOQJQBSA-N -1 3 340.423 2.210 10 30 EEEEHM C=C[C@@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572044553 1343370089 /nfs/dbraw/zinc/37/00/89/1343370089.db2.gz RMYPQFLUDKMXOB-KBUPBQIOSA-N -1 3 330.428 2.475 10 30 EEEEHM C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001573940332 1343662436 /nfs/dbraw/zinc/66/24/36/1343662436.db2.gz VQEVOMDFVVDPHZ-HZPDHXFCSA-N -1 3 342.439 2.410 10 30 EEEEHM CCCc1sc(C(=O)N[C@H]2CCN([O-])C2=O)cc1Br ZINC001624906860 1352434470 /nfs/dbraw/zinc/43/44/70/1352434470.db2.gz WMBLSZQUTLLXRX-QMMMGPOBSA-N -1 3 347.234 2.183 10 30 EEEEHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001626420857 1352462751 /nfs/dbraw/zinc/46/27/51/1352462751.db2.gz WBDYMWHSRXFMEE-UHFFFAOYSA-N -1 3 329.323 2.472 10 30 EEEEHM Cc1cc2n[n-]c(NC(=O)c3c[nH]c4cccc(C#N)c34)c2c(=O)n1C ZINC001638673898 1352690556 /nfs/dbraw/zinc/69/05/56/1352690556.db2.gz RTMLFWLITOHEOR-UHFFFAOYSA-N -1 3 346.350 2.175 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OC ZINC001656974110 1354306076 /nfs/dbraw/zinc/30/60/76/1354306076.db2.gz VOIJPZQCGRZVSU-ZDUSSCGKSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CC1(CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2cn[n-]n2)CCCCC1 ZINC001681574713 1358034642 /nfs/dbraw/zinc/03/46/42/1358034642.db2.gz YFPGIIVHNSPAFP-UONOGXRCSA-N -1 3 347.463 2.344 10 30 EEEEHM C#CCCCC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001688235032 1358861317 /nfs/dbraw/zinc/86/13/17/1358861317.db2.gz UZTBYXLYUHJLCZ-HNNXBMFYSA-N -1 3 328.412 2.259 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000816692270 784200891 /nfs/dbraw/zinc/20/08/91/784200891.db2.gz KFAPVRSUUQABIQ-HNNXBMFYSA-N -1 3 332.306 2.352 10 30 EEEEHM C#CCN1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000923560892 789771160 /nfs/dbraw/zinc/77/11/60/789771160.db2.gz MCJXEEBFVRKFTK-GFCCVEGCSA-N -1 3 326.318 2.238 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCC[C@@H]2CC)n1 ZINC001479608974 1098630624 /nfs/dbraw/zinc/63/06/24/1098630624.db2.gz RAACLPTVEAZAMW-GOEBONIOSA-N -1 3 344.459 2.128 10 30 EEEEHM C[C@@H](CNCc1cc(F)ccc1C#N)N(C)C(=O)c1ncccc1[O-] ZINC001496041415 1101971023 /nfs/dbraw/zinc/97/10/23/1101971023.db2.gz NRBHZYXWTLOUQR-LBPRGKRZSA-N -1 3 342.374 2.048 10 30 EEEEHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001511195054 1117995591 /nfs/dbraw/zinc/99/55/91/1117995591.db2.gz APMLSHFPUROLRA-OCCSQVGLSA-N -1 3 341.415 2.033 10 30 EEEEHM C=CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001512225995 1118461536 /nfs/dbraw/zinc/46/15/36/1118461536.db2.gz CTICMJOBVJFDOD-RYUDHWBXSA-N -1 3 346.431 2.039 10 30 EEEEHM COc1cc(C[N-]S(=O)(=O)c2cccc(F)c2F)ccc1C#N ZINC000352708630 162253186 /nfs/dbraw/zinc/25/31/86/162253186.db2.gz GSIMHFPKBOBXQF-UHFFFAOYSA-N -1 3 338.335 2.324 10 30 EEEEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000352977068 162371436 /nfs/dbraw/zinc/37/14/36/162371436.db2.gz LDWLCNSBBNWEDZ-ZETCQYMHSA-N -1 3 342.833 2.411 10 30 EEEEHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000297097550 465245124 /nfs/dbraw/zinc/24/51/24/465245124.db2.gz OJCQLMUCSQYSOH-UHFFFAOYSA-N -1 3 337.376 2.176 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC[C@H]1C#N ZINC000072270450 463490677 /nfs/dbraw/zinc/49/06/77/463490677.db2.gz AKPVXGFXTQSUDP-XJKSGUPXSA-N -1 3 327.384 2.422 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000186657068 464043228 /nfs/dbraw/zinc/04/32/28/464043228.db2.gz VSKCFPQGZBEWNQ-VIFPVBQESA-N -1 3 327.299 2.060 10 30 EEEEHM C=CC[C@@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000298929833 465544153 /nfs/dbraw/zinc/54/41/53/465544153.db2.gz MTOQXLMXZIZNJQ-LSDHHAIUSA-N -1 3 326.400 2.164 10 30 EEEEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000348845039 465833954 /nfs/dbraw/zinc/83/39/54/465833954.db2.gz WRPOGTTWYPYJLO-HNNXBMFYSA-N -1 3 347.371 2.192 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)CCC1 ZINC000555341314 468471292 /nfs/dbraw/zinc/47/12/92/468471292.db2.gz VNYOSYPRZZBUSH-UHFFFAOYSA-N -1 3 331.397 2.455 10 30 EEEEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C1 ZINC000373992867 466993880 /nfs/dbraw/zinc/99/38/80/466993880.db2.gz ZDBMMJULWYBDKJ-HDJSIYSDSA-N -1 3 327.409 2.486 10 30 EEEEHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-n4cncn4)c3)nc1-2 ZINC000429567477 467348486 /nfs/dbraw/zinc/34/84/86/467348486.db2.gz XUUKUHRGSYMZMZ-AWEZNQCLSA-N -1 3 343.350 2.337 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(OC2CC2)c1F ZINC000594839753 468702591 /nfs/dbraw/zinc/70/25/91/468702591.db2.gz VLUXTDWHZSQSHG-UHFFFAOYSA-N -1 3 347.371 2.112 10 30 EEEEHM Cc1ccncc1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597978133 468730894 /nfs/dbraw/zinc/73/08/94/468730894.db2.gz NYLHVUCYPARMPO-UHFFFAOYSA-N -1 3 338.411 2.271 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3ccc4n[n-]nc4c3)CCOCC2)c1 ZINC000598252772 468807460 /nfs/dbraw/zinc/80/74/60/468807460.db2.gz ZRFDJNSNVGKCLP-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)c(F)c1 ZINC000601517009 468903632 /nfs/dbraw/zinc/90/36/32/468903632.db2.gz NSGVIJHRUNSCTN-ZBFHGGJFSA-N -1 3 338.404 2.323 10 30 EEEEHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593524342 469016824 /nfs/dbraw/zinc/01/68/24/469016824.db2.gz FDQLXGXVDMQWOP-ZDUSSCGKSA-N -1 3 335.454 2.201 10 30 EEEEHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593526914 469017786 /nfs/dbraw/zinc/01/77/86/469017786.db2.gz KHDRCPUOPMRNCA-UHFFFAOYSA-N -1 3 336.438 2.458 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000572901487 469018969 /nfs/dbraw/zinc/01/89/69/469018969.db2.gz ZYZOWJGBLSXDGX-UHFFFAOYSA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000593550510 469029650 /nfs/dbraw/zinc/02/96/50/469029650.db2.gz DLSMTCZRMINSKT-CYBMUJFWSA-N -1 3 336.438 2.412 10 30 EEEEHM N#Cc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000595883239 469061542 /nfs/dbraw/zinc/06/15/42/469061542.db2.gz VSDGGFQMPHPOLB-IUODEOHRSA-N -1 3 340.301 2.110 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2CSc3ccccc3O2)CCC1 ZINC000564447739 469253195 /nfs/dbraw/zinc/25/31/95/469253195.db2.gz VDUCKVNRVXCEDR-GFCCVEGCSA-N -1 3 338.454 2.153 10 30 EEEEHM C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000612365236 469446995 /nfs/dbraw/zinc/44/69/95/469446995.db2.gz GWTOKBHUBOCTHZ-KXBFYZLASA-N -1 3 341.411 2.149 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000617039361 469581427 /nfs/dbraw/zinc/58/14/27/469581427.db2.gz GJZJOAAPNVXTKC-TZMCWYRMSA-N -1 3 340.445 2.361 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619489614 469623273 /nfs/dbraw/zinc/62/32/73/469623273.db2.gz UROCGCAIFCCFMC-CQSZACIVSA-N -1 3 336.438 2.135 10 30 EEEEHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000617464988 469687500 /nfs/dbraw/zinc/68/75/00/469687500.db2.gz KVFVTGGVURQUNJ-GFCCVEGCSA-N -1 3 331.397 2.391 10 30 EEEEHM C=CCCC(C)(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000620858262 469935456 /nfs/dbraw/zinc/93/54/56/469935456.db2.gz BPBCXKDTMZWJKQ-LBPRGKRZSA-N -1 3 342.436 2.354 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000632207661 470207999 /nfs/dbraw/zinc/20/79/99/470207999.db2.gz LPGGGPMEPPOLKZ-ZDUSSCGKSA-N -1 3 338.454 2.334 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000675296519 485948405 /nfs/dbraw/zinc/94/84/05/485948405.db2.gz HLOKDPAKSNQDCO-UHFFFAOYSA-N -1 3 348.472 2.347 10 30 EEEEHM C=CCOC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)OC ZINC000356338176 526789928 /nfs/dbraw/zinc/78/99/28/526789928.db2.gz JDGANTUYSFAGPV-OAHLLOKOSA-N -1 3 329.352 2.019 10 30 EEEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnn(CC#N)c1)CC2 ZINC000758151427 577617138 /nfs/dbraw/zinc/61/71/38/577617138.db2.gz KMFNOIQDQVEIJP-UHFFFAOYSA-N -1 3 344.396 2.144 10 30 EEEEHM C=CCCC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000761383165 577682982 /nfs/dbraw/zinc/68/29/82/577682982.db2.gz DQWXYOBOHSYKDC-HNNXBMFYSA-N -1 3 331.368 2.075 10 30 EEEEHM COc1cccc(N2C[C@@H](/N=C/c3ccc(O)c([O-])c3O)CC2=O)c1 ZINC000750949702 577745840 /nfs/dbraw/zinc/74/58/40/577745840.db2.gz IAOYWQZWJKUNRA-BFNDQCEFSA-N -1 3 342.351 2.036 10 30 EEEEHM COc1cccc(N2C[C@H](/N=C/c3ccc(O)c([O-])c3O)CC2=O)c1 ZINC000750949704 577745842 /nfs/dbraw/zinc/74/58/42/577745842.db2.gz IAOYWQZWJKUNRA-DKSCHZSNSA-N -1 3 342.351 2.036 10 30 EEEEHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000751595368 577755812 /nfs/dbraw/zinc/75/58/12/577755812.db2.gz BPHSGIWPCQSKPR-NSHDSACASA-N -1 3 343.836 2.012 10 30 EEEEHM N#CCOc1ccc(Cl)cc1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000754280662 577803804 /nfs/dbraw/zinc/80/38/04/577803804.db2.gz YDLSNAPTUOMHBN-UHFFFAOYSA-N -1 3 326.139 2.206 10 30 EEEEHM COC(=O)Nc1ccc(C(=O)OCc2ccnc(C#N)c2)cc1[O-] ZINC000747070584 577938838 /nfs/dbraw/zinc/93/88/38/577938838.db2.gz LOHIDBLQVKPAPB-UHFFFAOYSA-N -1 3 327.296 2.194 10 30 EEEEHM CCCCCCOCC(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000741945542 578126051 /nfs/dbraw/zinc/12/60/51/578126051.db2.gz DHJXDTQICNKKJJ-UHFFFAOYSA-N -1 3 341.415 2.405 10 30 EEEEHM CCCCCCN([O-])C(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000904207147 694322007 /nfs/dbraw/zinc/32/20/07/694322007.db2.gz RXLHURMSEAPUGP-SNVBAGLBSA-N -1 3 345.490 2.450 10 30 EEEEHM CC(C)(C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1cc(F)cc(C#N)c1 ZINC000898221481 691893458 /nfs/dbraw/zinc/89/34/58/691893458.db2.gz KTFDGPRTSKPMII-GFCCVEGCSA-N -1 3 342.374 2.420 10 30 EEEEHM CN1C[C@@H](CC/N=C/c2cc(Br)ccc2[O-])CC1=O ZINC000905003590 694499123 /nfs/dbraw/zinc/49/91/23/694499123.db2.gz YMNRGDOSZLVSDL-MDKXCRPYSA-N -1 3 325.206 2.442 10 30 EEEEHM C=C1CC(C)(C(=O)N[C@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)C1 ZINC000888235736 692502399 /nfs/dbraw/zinc/50/23/99/692502399.db2.gz XPJNJDUYICLCGA-ZDUSSCGKSA-N -1 3 330.432 2.357 10 30 EEEEHM C=C1CC(C)(C(=O)NC[C@H]2CCN2Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001483679829 1190739781 /nfs/dbraw/zinc/73/97/81/1190739781.db2.gz PIPBDXJPMRZASE-OAHLLOKOSA-N -1 3 342.443 2.106 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccnc1C#N ZINC000813165688 1201136400 /nfs/dbraw/zinc/13/64/00/1201136400.db2.gz NJFCBDJWFXLSOB-UHFFFAOYSA-N -1 3 336.351 2.218 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[C@@H]2CCC)n1 ZINC001489076658 1290360284 /nfs/dbraw/zinc/36/02/84/1290360284.db2.gz PDAHOZCFKOQUBI-HOCLYGCPSA-N -1 3 344.459 2.128 10 30 EEEEHM Cn1c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)nnc1C1CC1 ZINC001278920777 1318684623 /nfs/dbraw/zinc/68/46/23/1318684623.db2.gz RYQADYSUGQCTDQ-UHFFFAOYSA-N -1 3 334.339 2.471 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001281313278 1324956745 /nfs/dbraw/zinc/95/67/45/1324956745.db2.gz XRHKRHCXGCAFJQ-JSGCOSHPSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)CC)n1 ZINC001282232022 1325658634 /nfs/dbraw/zinc/65/86/34/1325658634.db2.gz GJZCBNRSOUBHPS-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001286320560 1327372224 /nfs/dbraw/zinc/37/22/24/1327372224.db2.gz GVZAAHJROXXBEE-CABCVRRESA-N -1 3 328.412 2.209 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNC(=O)[C@H](C)C(C)(C)C)cc(=O)[n-]1 ZINC001290364583 1328182288 /nfs/dbraw/zinc/18/22/88/1328182288.db2.gz SQJKFKHCGQTVRA-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001491926879 1330317007 /nfs/dbraw/zinc/31/70/07/1330317007.db2.gz WFXBAZSGZVYMPK-GJZGRUSLSA-N -1 3 346.427 2.046 10 30 EEEEHM CON=Cc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001304130756 1331379421 /nfs/dbraw/zinc/37/94/21/1331379421.db2.gz CIYQCQVKOPYVHS-QMMMGPOBSA-N -1 3 341.293 2.295 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2nccs2)C1 ZINC001340502422 1337198348 /nfs/dbraw/zinc/19/83/48/1337198348.db2.gz SXOGYSJCZRAWIF-SNVBAGLBSA-N -1 3 344.400 2.275 10 30 EEEEHM O=C(CC#Cc1ccccc1)N1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001356799229 1338896173 /nfs/dbraw/zinc/89/61/73/1338896173.db2.gz GSXWKPWUNMDTOA-UHFFFAOYSA-N -1 3 348.402 2.022 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCc1nc(CNC(=O)C(C)(C)C)cc(=O)[n-]1 ZINC001573248565 1343624827 /nfs/dbraw/zinc/62/48/27/1343624827.db2.gz GYFBANHLEUJXLV-SFHVURJKSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(=O)OC ZINC001656973382 1354305647 /nfs/dbraw/zinc/30/56/47/1354305647.db2.gz CGGJWGFMZHMSRK-HNNXBMFYSA-N -1 3 343.420 2.451 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001681564513 1358031835 /nfs/dbraw/zinc/03/18/35/1358031835.db2.gz KJMSCCCHVIBAHM-NWDGAFQWSA-N -1 3 348.447 2.106 10 30 EEEEHM C=CCCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)C(C)(C)C)n1 ZINC001684815903 1358281771 /nfs/dbraw/zinc/28/17/71/1358281771.db2.gz QGAFYMFGGDWWKJ-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000816693404 784201241 /nfs/dbraw/zinc/20/12/41/784201241.db2.gz KBFPHPFRXVWLBI-JTQLQIEISA-N -1 3 343.364 2.276 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3sccc3CC#N)c2c1=O ZINC001183781406 801746295 /nfs/dbraw/zinc/74/62/95/801746295.db2.gz RYSXUBGYPLHHMW-UHFFFAOYSA-N -1 3 341.396 2.433 10 30 EEEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793121895 810137930 /nfs/dbraw/zinc/13/79/30/810137930.db2.gz NCZLVOLZFQQWCM-HNNXBMFYSA-N -1 3 345.362 2.357 10 30 EEEEHM C#C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCOCC1 ZINC001453744691 1106436552 /nfs/dbraw/zinc/43/65/52/1106436552.db2.gz JKVWIBZGXQGCFQ-HNNXBMFYSA-N -1 3 344.798 2.340 10 30 EEEEHM CCCC[C@@H](CNC(=O)C#CC1CC1)NC(=O)c1ccccc1[O-] ZINC001509294657 1115788165 /nfs/dbraw/zinc/78/81/65/1115788165.db2.gz LLYACJHHFROSLV-HNNXBMFYSA-N -1 3 328.412 2.210 10 30 EEEEHM CC[C@H]1CCCc2sc(NC(=O)N[C@@H]3CCCN([O-])C3=O)nc21 ZINC001520336128 1119146822 /nfs/dbraw/zinc/14/68/22/1119146822.db2.gz AHWSYSDZGDBWDS-VHSXEESVSA-N -1 3 338.433 2.475 10 30 EEEEHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000360216022 539928094 /nfs/dbraw/zinc/92/80/94/539928094.db2.gz QJJXLEIBLZTVEI-UHFFFAOYSA-N -1 3 349.378 2.029 10 30 EEEEHM C=CCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OCC ZINC000456620334 244305824 /nfs/dbraw/zinc/30/58/24/244305824.db2.gz CSBUGTNCYXYPDP-CQSZACIVSA-N -1 3 328.368 2.156 10 30 EEEEHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCOC1 ZINC000352353041 162099913 /nfs/dbraw/zinc/09/99/13/162099913.db2.gz RGCXGOQYPUZDFZ-CQSZACIVSA-N -1 3 328.821 2.449 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c1 ZINC000356246997 163379320 /nfs/dbraw/zinc/37/93/20/163379320.db2.gz BOOITTVIPZASEU-GFCCVEGCSA-N -1 3 342.829 2.285 10 30 EEEEHM C=CCCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000279132963 464041742 /nfs/dbraw/zinc/04/17/42/464041742.db2.gz BIJSLBCQEGLKLK-UHFFFAOYSA-N -1 3 344.415 2.336 10 30 EEEEHM C[C@@H]1CN(c2ccc(CNC(=O)c3csc(=O)[n-]3)cn2)C[C@@H](C)O1 ZINC000329935207 465479555 /nfs/dbraw/zinc/47/95/55/465479555.db2.gz KHADVSLRUAFFPI-GHMZBOCLSA-N -1 3 348.428 2.362 10 30 EEEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)cc3F)cn21 ZINC000591324700 468446935 /nfs/dbraw/zinc/44/69/35/468446935.db2.gz SNOWCXAQFGFCSN-NSHDSACASA-N -1 3 348.403 2.270 10 30 EEEEHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000527327020 467659081 /nfs/dbraw/zinc/65/90/81/467659081.db2.gz QMONGYSJRHNSAU-SNVBAGLBSA-N -1 3 335.360 2.140 10 30 EEEEHM CC[C@](C)([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nccs1 ZINC000489489669 468143099 /nfs/dbraw/zinc/14/30/99/468143099.db2.gz VWXSJMSSTRLGEG-AWEZNQCLSA-N -1 3 336.442 2.322 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]1C(F)(F)F ZINC000590377304 468242470 /nfs/dbraw/zinc/24/24/70/468242470.db2.gz HOSHNXWRXSZZQN-LBPRGKRZSA-N -1 3 327.306 2.372 10 30 EEEEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCC#N)C1CCCCCC1 ZINC000594481645 468602516 /nfs/dbraw/zinc/60/25/16/468602516.db2.gz FDWFCGBAUDPZJZ-AWEZNQCLSA-N -1 3 330.450 2.112 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598046317 468749887 /nfs/dbraw/zinc/74/98/87/468749887.db2.gz BFPWCZHDXKTFSC-LBPRGKRZSA-N -1 3 343.427 2.378 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]cc1C1CC1 ZINC000592828182 468797992 /nfs/dbraw/zinc/79/79/92/468797992.db2.gz LNJPDTPBTKGGMF-UHFFFAOYSA-N -1 3 325.372 2.448 10 30 EEEEHM CN1CCC(C#N)(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598658392 468948468 /nfs/dbraw/zinc/94/84/68/468948468.db2.gz KTILRYYDYDAPSR-UHFFFAOYSA-N -1 3 327.306 2.129 10 30 EEEEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1F ZINC000572771770 468990495 /nfs/dbraw/zinc/99/04/95/468990495.db2.gz UEKXSEAJTPWHDW-SWLSCSKDSA-N -1 3 340.420 2.251 10 30 EEEEHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593602095 469054613 /nfs/dbraw/zinc/05/46/13/469054613.db2.gz DDDIUPVJRBIQML-QMMMGPOBSA-N -1 3 342.364 2.256 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593631368 469069929 /nfs/dbraw/zinc/06/99/29/469069929.db2.gz GKXQUMIIBOYGSM-AWEZNQCLSA-N -1 3 326.443 2.103 10 30 EEEEHM C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616020349 469354440 /nfs/dbraw/zinc/35/44/40/469354440.db2.gz LBBNTQHJHGABBC-OAHLLOKOSA-N -1 3 327.384 2.028 10 30 EEEEHM N#CC1(c2ccc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)cc2)CC1 ZINC000775917074 577448685 /nfs/dbraw/zinc/44/86/85/577448685.db2.gz MCJXSEYLFUXHRI-UHFFFAOYSA-N -1 3 335.289 2.309 10 30 EEEEHM N#CC1(c2ccc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)cc2)CC1 ZINC000775917074 577448686 /nfs/dbraw/zinc/44/86/86/577448686.db2.gz MCJXSEYLFUXHRI-UHFFFAOYSA-N -1 3 335.289 2.309 10 30 EEEEHM N#CC1(c2ccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)CC1 ZINC000775917074 577448687 /nfs/dbraw/zinc/44/86/87/577448687.db2.gz MCJXSEYLFUXHRI-UHFFFAOYSA-N -1 3 335.289 2.309 10 30 EEEEHM O=C1N=C(NN=Cc2ccc(-c3cccc(Cl)c3)s2)[N-]C1=O ZINC000765593494 577503678 /nfs/dbraw/zinc/50/36/78/577503678.db2.gz FZDKERWJMNEURQ-UHFFFAOYSA-N -1 3 332.772 2.004 10 30 EEEEHM O=c1c2c3c(sc2ncn1N=Cc1ccc([O-])cn1)CCCC3 ZINC000755489639 577825678 /nfs/dbraw/zinc/82/56/78/577825678.db2.gz YLCIZBFHAWTNEU-UHFFFAOYSA-N -1 3 326.381 2.320 10 30 EEEEHM C#CCC1(NC(=O)c2cc([O-])cc(Br)c2)CCOCC1 ZINC000925415565 683898626 /nfs/dbraw/zinc/89/86/26/683898626.db2.gz DTOCBMQDGBHTNE-UHFFFAOYSA-N -1 3 338.201 2.457 10 30 EEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895631668 684669641 /nfs/dbraw/zinc/66/96/41/684669641.db2.gz QTECBFHYHSGOCH-RBSFLKMASA-N -1 3 345.447 2.195 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC000936440375 686308600 /nfs/dbraw/zinc/30/86/00/686308600.db2.gz VPLWANABNWQXIS-CKFHNAJUSA-N -1 3 328.412 2.420 10 30 EEEEHM CC(C)(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1cc(F)cc(C#N)c1 ZINC000898221482 691893240 /nfs/dbraw/zinc/89/32/40/691893240.db2.gz KTFDGPRTSKPMII-LBPRGKRZSA-N -1 3 342.374 2.420 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000868562474 1201835437 /nfs/dbraw/zinc/83/54/37/1201835437.db2.gz FQSSRTLVNXYTIH-HZPDHXFCSA-N -1 3 331.416 2.242 10 30 EEEEHM C#CCSCC(=O)Nc1ccc(I)cc1[O-] ZINC001138176878 1205884346 /nfs/dbraw/zinc/88/43/46/1205884346.db2.gz XFXWAOWIXYJGMN-UHFFFAOYSA-N -1 3 347.177 2.302 10 30 EEEEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C)c(C#N)c2)c(C)o1 ZINC000859584858 1294523399 /nfs/dbraw/zinc/52/33/99/1294523399.db2.gz CEOOWRRUOLEPGC-UHFFFAOYSA-N -1 3 348.380 2.033 10 30 EEEEHM C=C1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@H]2CCCO2)CC1 ZINC001122863923 1310412919 /nfs/dbraw/zinc/41/29/19/1310412919.db2.gz JCKYWCBWWIAIJO-LLVKDONJSA-N -1 3 349.826 2.052 10 30 EEEEHM C=C1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@H]2CCCO2)CC1 ZINC001122863923 1310412924 /nfs/dbraw/zinc/41/29/24/1310412924.db2.gz JCKYWCBWWIAIJO-LLVKDONJSA-N -1 3 349.826 2.052 10 30 EEEEHM CCCCCCN([O-])C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001161818436 1320637867 /nfs/dbraw/zinc/63/78/67/1320637867.db2.gz ALJNLNNXPRKJOA-UHFFFAOYSA-N -1 3 328.434 2.105 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001262990834 1322417501 /nfs/dbraw/zinc/41/75/01/1322417501.db2.gz PQBSXBFSXGVYIW-GFCCVEGCSA-N -1 3 341.753 2.138 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001262990834 1322417502 /nfs/dbraw/zinc/41/75/02/1322417502.db2.gz PQBSXBFSXGVYIW-GFCCVEGCSA-N -1 3 341.753 2.138 10 30 EEEEHM C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001264367485 1322675879 /nfs/dbraw/zinc/67/58/79/1322675879.db2.gz ZLPAAOCHPKOUDX-HNNXBMFYSA-N -1 3 344.459 2.305 10 30 EEEEHM C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001290752863 1328258606 /nfs/dbraw/zinc/25/86/06/1328258606.db2.gz AJYMOCCHPYHGFH-KGLIPLIRSA-N -1 3 347.463 2.154 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001292089817 1328362710 /nfs/dbraw/zinc/36/27/10/1328362710.db2.gz JPBBWIQUSFCTNH-BMFZPTHFSA-N -1 3 340.423 2.303 10 30 EEEEHM C=CCO[C@@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001336496830 1336553803 /nfs/dbraw/zinc/55/38/03/1336553803.db2.gz PZRWWPXDIZTQGZ-SNVBAGLBSA-N -1 3 334.322 2.223 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccccc1 ZINC001622280821 1352380760 /nfs/dbraw/zinc/38/07/60/1352380760.db2.gz UQGRIZORBJCNCN-CYBMUJFWSA-N -1 3 349.433 2.496 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000848138588 1338529091 /nfs/dbraw/zinc/52/90/91/1338529091.db2.gz NZMIXZPZPYTBFY-SNVBAGLBSA-N -1 3 325.727 2.070 10 30 EEEEHM C#C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H]1CCCO1 ZINC001616964015 1352334279 /nfs/dbraw/zinc/33/42/79/1352334279.db2.gz LFKBRMUQZNVGCN-UONOGXRCSA-N -1 3 330.771 2.092 10 30 EEEEHM Cc1nsc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2F)c1C#N ZINC001436021048 1342009197 /nfs/dbraw/zinc/00/91/97/1342009197.db2.gz YBVRDEAFHNBHMW-UHFFFAOYSA-N -1 3 339.373 2.118 10 30 EEEEHM C=CC(C)(C)CC(=O)NCC1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001567831291 1342847240 /nfs/dbraw/zinc/84/72/40/1342847240.db2.gz OKTDQBRGGUQWEL-UHFFFAOYSA-N -1 3 344.459 2.210 10 30 EEEEHM CN(C(=O)C#CC1CC1)C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001571784184 1343305764 /nfs/dbraw/zinc/30/57/64/1343305764.db2.gz IXDVMQGSKQMPSE-UHFFFAOYSA-N -1 3 340.423 2.305 10 30 EEEEHM C=C(C)CCC(=O)N(C)CC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001571895814 1343329663 /nfs/dbraw/zinc/32/96/63/1343329663.db2.gz AETVADRRVMSTIB-HNNXBMFYSA-N -1 3 348.447 2.141 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-])OCC ZINC001678084580 1357463375 /nfs/dbraw/zinc/46/33/75/1357463375.db2.gz KNVTUQKCQCZEQU-RHSMWYFYSA-N -1 3 348.443 2.340 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H]1CCCCN1S(=O)(=O)CCC ZINC001639062158 1352693737 /nfs/dbraw/zinc/69/37/37/1352693737.db2.gz CPJKTRYQSODEDY-AWEZNQCLSA-N -1 3 334.482 2.379 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(CC#N)n1 ZINC001644420073 1352761859 /nfs/dbraw/zinc/76/18/59/1352761859.db2.gz GIMFXNYESNYYGF-UHFFFAOYSA-N -1 3 348.366 2.265 10 30 EEEEHM C=CCOCCCC(=O)N(C)C1CC(NC(=O)c2ccccc2[O-])C1 ZINC001681192075 1357960912 /nfs/dbraw/zinc/96/09/12/1357960912.db2.gz KMCYYWMKDZVFJT-UHFFFAOYSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)nn1 ZINC001212241700 770093755 /nfs/dbraw/zinc/09/37/55/770093755.db2.gz MCVMLWZQQCRWFF-UHFFFAOYSA-N -1 3 344.799 2.044 10 30 EEEEHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nn2cnnc2s1 ZINC000921238351 773238998 /nfs/dbraw/zinc/23/89/98/773238998.db2.gz BVVJEIIHRGLRFB-UHFFFAOYSA-N -1 3 339.340 2.002 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)cc(Cl)c1Br ZINC000820185656 785828373 /nfs/dbraw/zinc/82/83/73/785828373.db2.gz PMAIOTYMPITUIG-VIFPVBQESA-N -1 3 347.596 2.131 10 30 EEEEHM C=C(C)C[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000908991053 785920661 /nfs/dbraw/zinc/92/06/61/785920661.db2.gz WNTJBPZHUBRESF-HOCLYGCPSA-N -1 3 333.432 2.226 10 30 EEEEHM C#CC[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000843998407 788795297 /nfs/dbraw/zinc/79/52/97/788795297.db2.gz CFBUYIBMUVHVIV-HNNXBMFYSA-N -1 3 328.412 2.082 10 30 EEEEHM CN(CCNC(=O)c1ccccc1[O-])Cc1ccc(C#N)c(F)c1 ZINC001437430734 1089731389 /nfs/dbraw/zinc/73/13/89/1089731389.db2.gz LDQQPGZGQYYUOL-UHFFFAOYSA-N -1 3 327.359 2.265 10 30 EEEEHM COCc1nocc1C(=O)[N-]c1nc2c(cc1C#N)C[C@@H](C)CC2 ZINC001440107451 1093168475 /nfs/dbraw/zinc/16/84/75/1093168475.db2.gz YYDJQPJTPQISKY-JTQLQIEISA-N -1 3 326.356 2.465 10 30 EEEEHM C=CC[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccncc1 ZINC001474982639 1110603983 /nfs/dbraw/zinc/60/39/83/1110603983.db2.gz MOQWFMOXCHARFY-NSHDSACASA-N -1 3 325.340 2.351 10 30 EEEEHM N#CC(=C([O-])c1cn2c(n1)COCC2)c1nc2c(cccc2Cl)[nH]1 ZINC001520068504 1119124411 /nfs/dbraw/zinc/12/44/11/1119124411.db2.gz HSMKDTXWSQGZRQ-SECBINFHSA-N -1 3 341.758 2.433 10 30 EEEEHM CC[C@H]1CCCc2sc(NC(=O)N[C@H]3CCCN([O-])C3=O)nc21 ZINC001520336126 1119146895 /nfs/dbraw/zinc/14/68/95/1119146895.db2.gz AHWSYSDZGDBWDS-UWVGGRQHSA-N -1 3 338.433 2.475 10 30 EEEEHM C#CCN(C(=O)CC1CC1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001536618887 1123745901 /nfs/dbraw/zinc/74/59/01/1123745901.db2.gz PMPIYECTOUSCPD-UHFFFAOYSA-N -1 3 340.423 2.259 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)cc1Cl ZINC000451735559 243235534 /nfs/dbraw/zinc/23/55/34/243235534.db2.gz JTUDSSKSGADXNE-UHFFFAOYSA-N -1 3 332.784 2.009 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2cc[nH]c2n1 ZINC000355761038 163292504 /nfs/dbraw/zinc/29/25/04/163292504.db2.gz SMXNNLZUQFFLRI-UHFFFAOYSA-N -1 3 349.394 2.401 10 30 EEEEHM N#Cc1cccc([C@@H]2CN(C(=O)/C=C/c3cncc([O-])c3)CCO2)c1 ZINC000367917599 166020432 /nfs/dbraw/zinc/02/04/32/166020432.db2.gz NCCHWPZKGDKEKA-WRFKIARRSA-N -1 3 335.363 2.272 10 30 EEEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)c(F)c3)cn21 ZINC000572973662 319894262 /nfs/dbraw/zinc/89/42/62/319894262.db2.gz SSZAFFOFOPWGBV-NSHDSACASA-N -1 3 348.403 2.270 10 30 EEEEHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccc(F)cn2)NC1=O ZINC000080436325 463319129 /nfs/dbraw/zinc/31/91/29/463319129.db2.gz FBNBTRYCMNSSQR-CABZTGNLSA-N -1 3 325.299 2.430 10 30 EEEEHM C=CCSCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000194580418 463887305 /nfs/dbraw/zinc/88/73/05/463887305.db2.gz VQNXNEBSZRGRHG-CQSZACIVSA-N -1 3 334.441 2.032 10 30 EEEEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000289643328 464088274 /nfs/dbraw/zinc/08/82/74/464088274.db2.gz SPTMGPBHZKINBO-RKDXNWHRSA-N -1 3 336.335 2.279 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000293489381 464407924 /nfs/dbraw/zinc/40/79/24/464407924.db2.gz WHQUFSBDMVJWQF-QMMMGPOBSA-N -1 3 340.334 2.270 10 30 EEEEHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000365402468 466806917 /nfs/dbraw/zinc/80/69/17/466806917.db2.gz AEUCDNWLONPHQD-CYBMUJFWSA-N -1 3 329.381 2.064 10 30 EEEEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435444978 467470315 /nfs/dbraw/zinc/47/03/15/467470315.db2.gz BURORHKQVOFJSQ-VXGBXAGGSA-N -1 3 327.475 2.161 10 30 EEEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C)CC#N ZINC000528318435 467679563 /nfs/dbraw/zinc/67/95/63/467679563.db2.gz SISJXMXKPOTXFO-QMMMGPOBSA-N -1 3 338.307 2.174 10 30 EEEEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)O1 ZINC000594851883 468705008 /nfs/dbraw/zinc/70/50/08/468705008.db2.gz MEHHOVJRGFXTIS-ZYHUDNBSSA-N -1 3 328.821 2.448 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000598213952 468795290 /nfs/dbraw/zinc/79/52/90/468795290.db2.gz RCCHFCRFBDQWFG-SMDDNHRTSA-N -1 3 331.416 2.282 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1ccccc1Cl)C(=O)OC ZINC000601501980 468896960 /nfs/dbraw/zinc/89/69/60/468896960.db2.gz RCRJXPNZTAVIIC-AWEZNQCLSA-N -1 3 345.848 2.310 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC000601502860 468897860 /nfs/dbraw/zinc/89/78/60/468897860.db2.gz VCURNVLVZOTPQI-VXGBXAGGSA-N -1 3 339.404 2.239 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)n1cccn1 ZINC000601526427 468907609 /nfs/dbraw/zinc/90/76/09/468907609.db2.gz LNSBWNZYODTCPO-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCn2nccc21 ZINC000601538866 468910993 /nfs/dbraw/zinc/91/09/93/468910993.db2.gz GHQNWUYGZOBLMC-GFCCVEGCSA-N -1 3 336.804 2.222 10 30 EEEEHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C#N)ccn2)[n-]1 ZINC000598831369 469017670 /nfs/dbraw/zinc/01/76/70/469017670.db2.gz JCLWUZXAVUFCMU-UHFFFAOYSA-N -1 3 341.371 2.448 10 30 EEEEHM CCCCc1nc(NC(=O)c2cc(C#N)ccn2)c(C(=O)OCC)[n-]1 ZINC000598831369 469017674 /nfs/dbraw/zinc/01/76/74/469017674.db2.gz JCLWUZXAVUFCMU-UHFFFAOYSA-N -1 3 341.371 2.448 10 30 EEEEHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593539099 469024987 /nfs/dbraw/zinc/02/49/87/469024987.db2.gz AXBWSQJZPXSVFD-SNVBAGLBSA-N -1 3 334.401 2.219 10 30 EEEEHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593570390 469040974 /nfs/dbraw/zinc/04/09/74/469040974.db2.gz XDMLBSIIZMIIKQ-MFKMUULPSA-N -1 3 328.459 2.492 10 30 EEEEHM CC(C)(C#N)c1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1 ZINC000593588838 469048164 /nfs/dbraw/zinc/04/81/64/469048164.db2.gz NNUPKLZWGHXZSD-UHFFFAOYSA-N -1 3 331.397 2.067 10 30 EEEEHM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CO2 ZINC000599374657 469234930 /nfs/dbraw/zinc/23/49/30/469234930.db2.gz JZQWNDIYPRQITI-NSHDSACASA-N -1 3 334.422 2.210 10 30 EEEEHM C=CCn1c(SCC(=O)N(CCC)CC(F)(F)F)n[n-]c1=O ZINC000629162730 469455548 /nfs/dbraw/zinc/45/55/48/469455548.db2.gz ZWKJJLUVLPGFQF-UHFFFAOYSA-N -1 3 338.355 2.063 10 30 EEEEHM CCCc1nc(C(=O)[N-]c2nc(C)nn2-c2ccc(C#N)cc2)co1 ZINC000619749085 469675378 /nfs/dbraw/zinc/67/53/78/469675378.db2.gz GKTZVRSZMRXUJM-UHFFFAOYSA-N -1 3 336.355 2.062 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000620308907 469809350 /nfs/dbraw/zinc/80/93/50/469809350.db2.gz GOZTUMRCSYWBGM-KHYOSLBOSA-N -1 3 339.395 2.064 10 30 EEEEHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000672429772 486120497 /nfs/dbraw/zinc/12/04/97/486120497.db2.gz OWYAZEIKLJEVIH-ZDUSSCGKSA-N -1 3 344.383 2.069 10 30 EEEEHM COC[C@H](C)C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000755887468 577833529 /nfs/dbraw/zinc/83/35/29/577833529.db2.gz KPEVTYISQZPNJY-MFKMUULPSA-N -1 3 334.401 2.196 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001266341264 1176338021 /nfs/dbraw/zinc/33/80/21/1176338021.db2.gz DDRPOGPRYCJDEU-KUHUBIRLSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001269134590 1183991324 /nfs/dbraw/zinc/99/13/24/1183991324.db2.gz OQKCKFOJWXLRGV-CQSZACIVSA-N -1 3 330.432 2.106 10 30 EEEEHM C=CCCOCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001487368775 1197386286 /nfs/dbraw/zinc/38/62/86/1197386286.db2.gz OHBCXXMEFQUZPC-LSDHHAIUSA-N -1 3 346.427 2.142 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCC2CC2)ccc1F ZINC000128317386 1201436233 /nfs/dbraw/zinc/43/62/33/1201436233.db2.gz MFAKCTHOYXBLEY-UHFFFAOYSA-N -1 3 340.420 2.210 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCOCC1 ZINC000885838750 1202446253 /nfs/dbraw/zinc/44/62/53/1202446253.db2.gz QLJFVQAYGHQCCE-UHFFFAOYSA-N -1 3 329.368 2.124 10 30 EEEEHM C=CCCC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OC ZINC000928318234 1206372508 /nfs/dbraw/zinc/37/25/08/1206372508.db2.gz SMOOHNKBFVQRMF-GFCCVEGCSA-N -1 3 337.372 2.037 10 30 EEEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)C[C@@H](OC)C3CC3)cc21 ZINC000901954373 1236709917 /nfs/dbraw/zinc/70/99/17/1236709917.db2.gz QIPDIQHYQRLGSW-MRXNPFEDSA-N -1 3 335.429 2.389 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@@H]2CCC)n1 ZINC001489076657 1290361292 /nfs/dbraw/zinc/36/12/92/1290361292.db2.gz PDAHOZCFKOQUBI-GOEBONIOSA-N -1 3 344.459 2.128 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001489408462 1290556244 /nfs/dbraw/zinc/55/62/44/1290556244.db2.gz DLEYUKUIKNETBN-IRXDYDNUSA-N -1 3 340.423 2.209 10 30 EEEEHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000856030896 1293389167 /nfs/dbraw/zinc/38/91/67/1293389167.db2.gz VYTZUDJALVZHNV-HNNXBMFYSA-N -1 3 334.391 2.231 10 30 EEEEHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000856030897 1293389723 /nfs/dbraw/zinc/38/97/23/1293389723.db2.gz VYTZUDJALVZHNV-OAHLLOKOSA-N -1 3 334.391 2.231 10 30 EEEEHM CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)[n-]n1 ZINC000860628179 1295040014 /nfs/dbraw/zinc/04/00/14/1295040014.db2.gz VDJTXPGSEVFENH-UHFFFAOYSA-N -1 3 326.356 2.374 10 30 EEEEHM CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)n[n-]1 ZINC000860628179 1295040026 /nfs/dbraw/zinc/04/00/26/1295040026.db2.gz VDJTXPGSEVFENH-UHFFFAOYSA-N -1 3 326.356 2.374 10 30 EEEEHM C=C[C@@](C)(O)CC(=O)Nc1ccc(I)cc1[O-] ZINC001154103647 1316957251 /nfs/dbraw/zinc/95/72/51/1316957251.db2.gz CUXGCWWMDQZPNM-GFCCVEGCSA-N -1 3 347.152 2.262 10 30 EEEEHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2nc[nH]c2C)C1=O ZINC001156413505 1318000986 /nfs/dbraw/zinc/00/09/86/1318000986.db2.gz DBDDKWCTIDUPGV-INIZCTEOSA-N -1 3 335.408 2.034 10 30 EEEEHM C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001294749213 1329135516 /nfs/dbraw/zinc/13/55/16/1329135516.db2.gz FVVSILBUQDZWPG-HNNXBMFYSA-N -1 3 328.412 2.491 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001280190890 1324109181 /nfs/dbraw/zinc/10/91/81/1324109181.db2.gz UFESKQDQGZWWMD-ZIAGYGMSSA-N -1 3 336.391 2.310 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001280688178 1324412037 /nfs/dbraw/zinc/41/20/37/1324412037.db2.gz HVISHJOACUAMQH-QSPRXWTASA-N -1 3 342.439 2.429 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@@]1(NC(=O)c2cn[n-]n2)CCCC[C@@H]1C ZINC001285152184 1326891021 /nfs/dbraw/zinc/89/10/21/1326891021.db2.gz TZOWQUBAJFYHIH-UGSOOPFHSA-N -1 3 347.463 2.202 10 30 EEEEHM C=CCCC(=O)N[C@@H](CNC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC001288196178 1327659955 /nfs/dbraw/zinc/65/99/55/1327659955.db2.gz OMDRXTDANXYGMT-AWEZNQCLSA-N -1 3 343.431 2.185 10 30 EEEEHM C#CCCN(CCOC)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001301380025 1331297694 /nfs/dbraw/zinc/29/76/94/1331297694.db2.gz VLPQBAYQGLNNSW-UHFFFAOYSA-N -1 3 332.787 2.293 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(=C)C)C(=O)OCC)c1 ZINC001303112408 1331345432 /nfs/dbraw/zinc/34/54/32/1331345432.db2.gz VIQWCKLFTYPKSU-AWEZNQCLSA-N -1 3 346.383 2.144 10 30 EEEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)nc3)nc21 ZINC001618773053 1352353211 /nfs/dbraw/zinc/35/32/11/1352353211.db2.gz KKYKTIZHVZKZSC-UHFFFAOYSA-N -1 3 335.323 2.259 10 30 EEEEHM C=CCCC(=O)N1C[C@H](NCc2nc(=O)c3sccc3[n-]2)[C@@H](C)C1 ZINC001502705878 1342224930 /nfs/dbraw/zinc/22/49/30/1342224930.db2.gz AMQIUJIPSZGOOZ-AAEUAGOBSA-N -1 3 346.456 2.300 10 30 EEEEHM CC[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1NC(=O)C#CC1CC1 ZINC001505558561 1342236073 /nfs/dbraw/zinc/23/60/73/1342236073.db2.gz PGXFGJLPMHPJPI-NVXWUHKLSA-N -1 3 340.423 2.163 10 30 EEEEHM C=CCCC(=O)N1CCC2(C[C@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001578079168 1344231882 /nfs/dbraw/zinc/23/18/82/1344231882.db2.gz LVNPMTLLMMAXNK-MRXNPFEDSA-N -1 3 328.412 2.469 10 30 EEEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001664039358 1355079351 /nfs/dbraw/zinc/07/93/51/1355079351.db2.gz PTKPHBALDIZHSW-HNNXBMFYSA-N -1 3 327.377 2.083 10 30 EEEEHM C=C(C)CCC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)=CCC)n1 ZINC001684815866 1358281568 /nfs/dbraw/zinc/28/15/68/1358281568.db2.gz POEZLOMGXKQOOM-MLPAPPSSSA-N -1 3 346.431 2.127 10 30 EEEEHM CC(C)(C)C#CC(=O)N1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001688060465 1358754020 /nfs/dbraw/zinc/75/40/20/1358754020.db2.gz XUIKIRQPTMVGKR-OAHLLOKOSA-N -1 3 342.439 2.410 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(=O)OC ZINC000921383920 773319051 /nfs/dbraw/zinc/31/90/51/773319051.db2.gz FUAFUYHZKHLZRY-AWEZNQCLSA-N -1 3 329.393 2.143 10 30 EEEEHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820186046 785827918 /nfs/dbraw/zinc/82/79/18/785827918.db2.gz UEADZVWELQXZLC-DGCLKSJQSA-N -1 3 344.333 2.380 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000820186291 785829806 /nfs/dbraw/zinc/82/98/06/785829806.db2.gz XIULSVXEYZBXIU-CXAGYDPISA-N -1 3 341.411 2.434 10 30 EEEEHM N#C[C@@]1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CC2CCC1CC2 ZINC000923257090 789241206 /nfs/dbraw/zinc/24/12/06/789241206.db2.gz QZWXKMWSECSINJ-MFGLSYLJSA-N -1 3 346.408 2.268 10 30 EEEEHM C[C@H](C#N)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001445382879 1091125766 /nfs/dbraw/zinc/12/57/66/1091125766.db2.gz VNTASOBQKKSIGK-ZIAGYGMSSA-N -1 3 329.400 2.005 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@]2(C)CCC[C@@H]2CC)n1 ZINC001479604568 1098628120 /nfs/dbraw/zinc/62/81/20/1098628120.db2.gz NDZJPHFABWEURN-LIRRHRJNSA-N -1 3 344.459 2.128 10 30 EEEEHM CC#CCCCC(=O)N(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001497382609 1102412399 /nfs/dbraw/zinc/41/23/99/1102412399.db2.gz CYBZIPACTZBQIQ-UHFFFAOYSA-N -1 3 328.412 2.307 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1)OCC ZINC001494153066 1103613383 /nfs/dbraw/zinc/61/33/83/1103613383.db2.gz AXDMUWOAWNXMKR-JKIFEVAISA-N -1 3 346.427 2.141 10 30 EEEEHM C=C(Cl)CNCC1(NC(=O)c2[nH]nc(C)c2[O-])CCCCC1 ZINC001448229998 1104219696 /nfs/dbraw/zinc/21/96/96/1104219696.db2.gz QDONSMRJQQSELD-UHFFFAOYSA-N -1 3 326.828 2.199 10 30 EEEEHM C=C(C)CCC(=O)N1CCCCC[C@@H]1CNC(=O)c1cnc[n-]c1=O ZINC001509353272 1115808386 /nfs/dbraw/zinc/80/83/86/1115808386.db2.gz KLQKLWDFXCPOPY-CQSZACIVSA-N -1 3 346.431 2.040 10 30 EEEEHM C#CCCCC(=O)N1CC2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001509778409 1115903876 /nfs/dbraw/zinc/90/38/76/1115903876.db2.gz HWXXCJGZQJGCIQ-UHFFFAOYSA-N -1 3 340.423 2.260 10 30 EEEEHM CC(C)(C)[C@H](CNC(=O)C#CC1CC1)NC(=O)c1ccccc1[O-] ZINC001511758322 1118230777 /nfs/dbraw/zinc/23/07/77/1118230777.db2.gz WASSHXAOUUWNMZ-INIZCTEOSA-N -1 3 328.412 2.066 10 30 EEEEHM C[C@@H](C#N)C(=O)N(C)CCCCCCNC(=O)c1ccccc1[O-] ZINC001519638193 1119095266 /nfs/dbraw/zinc/09/52/66/1119095266.db2.gz CRANVFKWTVAWCC-AWEZNQCLSA-N -1 3 331.416 2.300 10 30 EEEEHM O=C(C#CC1CC1)NCCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001531814040 1122567811 /nfs/dbraw/zinc/56/78/11/1122567811.db2.gz QGBYOTJGODUYQU-UHFFFAOYSA-N -1 3 340.423 2.164 10 30 EEEEHM N#Cc1ccnc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000355065337 163069872 /nfs/dbraw/zinc/06/98/72/163069872.db2.gz ZFBSXNQPRJSXTR-UHFFFAOYSA-N -1 3 332.157 2.351 10 30 EEEEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1 ZINC000359990900 164211525 /nfs/dbraw/zinc/21/15/25/164211525.db2.gz FKERLGQGUKPAQV-MRVPVSSYSA-N -1 3 340.405 2.038 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000416647357 268160017 /nfs/dbraw/zinc/16/00/17/268160017.db2.gz WEODKRUKKKDFCY-GHMZBOCLSA-N -1 3 328.821 2.041 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)s1 ZINC000435433239 268255941 /nfs/dbraw/zinc/25/59/41/268255941.db2.gz MWGQCXUXXBNVIR-UHFFFAOYSA-N -1 3 328.365 2.419 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@](C)(O)CCC(C)C ZINC000075129067 462682191 /nfs/dbraw/zinc/68/21/91/462682191.db2.gz JWSRZZGRRUCKBG-LJQANCHMSA-N -1 3 347.459 2.099 10 30 EEEEHM Cc1cc(C)nc(C(C#N)=C([O-])c2ccc(N3CCNC3=O)cc2)n1 ZINC000076317866 462841604 /nfs/dbraw/zinc/84/16/04/462841604.db2.gz WHRPVNLHFZGMTR-HNNXBMFYSA-N -1 3 335.367 2.113 10 30 EEEEHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C#N)cn2C)n1 ZINC000083765890 463562650 /nfs/dbraw/zinc/56/26/50/463562650.db2.gz LQIVWNYJSVLLEE-SNVBAGLBSA-N -1 3 328.353 2.020 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C(C)C)[C@H]1CCOC1 ZINC000291417440 464154577 /nfs/dbraw/zinc/15/45/77/464154577.db2.gz FUXBYOJYCZSARG-AWEZNQCLSA-N -1 3 331.416 2.234 10 30 EEEEHM Cc1nsc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C#N ZINC000281292924 464401988 /nfs/dbraw/zinc/40/19/88/464401988.db2.gz YDMNWPWULSWOPF-UHFFFAOYSA-N -1 3 341.396 2.484 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@H]3C)no2)ccc1F ZINC000545770399 468404945 /nfs/dbraw/zinc/40/49/45/468404945.db2.gz XWGBUHNCFFFYKF-MWLCHTKSSA-N -1 3 337.376 2.463 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000273416309 464715513 /nfs/dbraw/zinc/71/55/13/464715513.db2.gz JWURFDGUMXKBAB-QMMMGPOBSA-N -1 3 340.264 2.034 10 30 EEEEHM C=CCCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000579916372 468432758 /nfs/dbraw/zinc/43/27/58/468432758.db2.gz FQYUXSPMVKMALV-UHFFFAOYSA-N -1 3 328.821 2.469 10 30 EEEEHM CO[C@@H](CC[N-]S(=O)(=O)c1cccc(C)c1C#N)C(F)(F)F ZINC000345334925 465857251 /nfs/dbraw/zinc/85/72/51/465857251.db2.gz FWRGSXISLUMBNU-LBPRGKRZSA-N -1 3 336.335 2.112 10 30 EEEEHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338769944 466369233 /nfs/dbraw/zinc/36/92/33/466369233.db2.gz HUAYJDVTBXROEB-UHFFFAOYSA-N -1 3 339.399 2.172 10 30 EEEEHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000527043292 467653115 /nfs/dbraw/zinc/65/31/15/467653115.db2.gz MRWSERMZQYKYOB-SNVBAGLBSA-N -1 3 346.836 2.334 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c(F)c1 ZINC000594472335 468598389 /nfs/dbraw/zinc/59/83/89/468598389.db2.gz AAZQSYQCWOCNNE-GOEBONIOSA-N -1 3 338.404 2.323 10 30 EEEEHM N#Cc1cccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594489304 468607249 /nfs/dbraw/zinc/60/72/49/468607249.db2.gz YIJGQKYXNXAAQR-DGCLKSJQSA-N -1 3 348.346 2.337 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@@](C)(C#N)CSC)c1ccc(F)cc1 ZINC000600668401 468616079 /nfs/dbraw/zinc/61/60/79/468616079.db2.gz MFQCCUJFCROHTI-KBPBESRZSA-N -1 3 346.449 2.078 10 30 EEEEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594828311 468698418 /nfs/dbraw/zinc/69/84/18/468698418.db2.gz DODFDUAZVRPHBG-XYPYZODXSA-N -1 3 348.346 2.423 10 30 EEEEHM Cn1[n-]c([C@H]2CCCN2c2ncc(C#N)c3ccsc32)nc1=N ZINC000601172056 468769508 /nfs/dbraw/zinc/76/95/08/468769508.db2.gz VNGUWMRQWZDMAT-LLVKDONJSA-N -1 3 325.401 2.051 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000598213849 468795247 /nfs/dbraw/zinc/79/52/47/468795247.db2.gz RCCHFCRFBDQWFG-BXUZGUMPSA-N -1 3 331.416 2.282 10 30 EEEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000601498046 468894786 /nfs/dbraw/zinc/89/47/86/468894786.db2.gz MZOSGTRUKRZZHO-UHFFFAOYSA-N -1 3 326.418 2.139 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCn2nccc21 ZINC000601541265 468912492 /nfs/dbraw/zinc/91/24/92/468912492.db2.gz TZOWTSMZXXAMGY-GFCCVEGCSA-N -1 3 336.804 2.222 10 30 EEEEHM C[C@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1F ZINC000572771771 468989747 /nfs/dbraw/zinc/98/97/47/468989747.db2.gz UEKXSEAJTPWHDW-WFASDCNBSA-N -1 3 340.420 2.251 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000593565111 469038192 /nfs/dbraw/zinc/03/81/92/469038192.db2.gz FDXSKOTYFSWKRM-NWDGAFQWSA-N -1 3 328.459 2.229 10 30 EEEEHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccnn1C ZINC000593582957 469046900 /nfs/dbraw/zinc/04/69/00/469046900.db2.gz PYQJPLLMZYZSOH-NSHDSACASA-N -1 3 338.458 2.071 10 30 EEEEHM CC[C@H](OCC[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000593626841 469065377 /nfs/dbraw/zinc/06/53/77/469065377.db2.gz HDULTPWSJWLNCY-INIZCTEOSA-N -1 3 345.424 2.399 10 30 EEEEHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000563525367 469241019 /nfs/dbraw/zinc/24/10/19/469241019.db2.gz NOXWRVRRPUWKSH-CVEARBPZSA-N -1 3 334.441 2.302 10 30 EEEEHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(Br)cn1 ZINC000727263009 576416274 /nfs/dbraw/zinc/41/62/74/576416274.db2.gz IXAYJIUHZQTHKJ-UHFFFAOYSA-N -1 3 333.145 2.318 10 30 EEEEHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000733320155 577222165 /nfs/dbraw/zinc/22/21/65/577222165.db2.gz FFMPWYFDSOLNPX-JTQLQIEISA-N -1 3 342.726 2.067 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CO)cc1 ZINC000770525977 577598211 /nfs/dbraw/zinc/59/82/11/577598211.db2.gz IZIIGRZBNIIQSV-UHFFFAOYSA-N -1 3 325.368 2.339 10 30 EEEEHM Cc1ccc([O-])c(CN=Nc2nc(Br)cn3ccnc23)n1 ZINC000749862399 577983112 /nfs/dbraw/zinc/98/31/12/577983112.db2.gz IJFRHUINZZIOBQ-UHFFFAOYSA-N -1 3 347.176 2.347 10 30 EEEEHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)n1ccc(C=N[O-])nc1=O ZINC000736302743 578194432 /nfs/dbraw/zinc/19/44/32/578194432.db2.gz PFNAPPLLIJIDKN-AWEZNQCLSA-N -1 3 342.399 2.050 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C ZINC000904207154 694321965 /nfs/dbraw/zinc/32/19/65/694321965.db2.gz SEGSIKYAANWUIP-QWHCGFSZSA-N -1 3 330.425 2.467 10 30 EEEEHM C#CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888232709 691945792 /nfs/dbraw/zinc/94/57/92/691945792.db2.gz CPTVHBDUTCLRKP-ZDUSSCGKSA-N -1 3 330.432 2.050 10 30 EEEEHM C=CCOC[C@@H](NCc1cccc(F)c1OC(F)(F)F)C(=O)[O-] ZINC000901808232 1236363445 /nfs/dbraw/zinc/36/34/45/1236363445.db2.gz HUWIRQQKURBZIX-LLVKDONJSA-N -1 3 337.269 2.470 10 30 EEEEHM CC(CSCCF)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000853298143 1292348108 /nfs/dbraw/zinc/34/81/08/1292348108.db2.gz RZQSJTGVGHFZJZ-UHFFFAOYSA-N -1 3 349.409 2.093 10 30 EEEEHM C=CCCCN1CC(N(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001277636163 1304052063 /nfs/dbraw/zinc/05/20/63/1304052063.db2.gz GWVNETWGNUYTGK-UHFFFAOYSA-N -1 3 332.448 2.336 10 30 EEEEHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001281213098 1324882348 /nfs/dbraw/zinc/88/23/48/1324882348.db2.gz BWCWNLWWEUBLIU-ZBFHGGJFSA-N -1 3 346.427 2.094 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001281442207 1325098873 /nfs/dbraw/zinc/09/88/73/1325098873.db2.gz GQNYRJBFXROFTD-CHWSQXEVSA-N -1 3 343.431 2.327 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001295316889 1329802013 /nfs/dbraw/zinc/80/20/13/1329802013.db2.gz MKVXBFJMCGBFCR-CTNYNGJSSA-N -1 3 328.412 2.181 10 30 EEEEHM C=CCC1(C(=O)NCCN(C)Cc2cc(=O)[n-]c(C3CC3)n2)CCC1 ZINC001317460263 1332251964 /nfs/dbraw/zinc/25/19/64/1332251964.db2.gz UWPKEKFYRBTZMW-UHFFFAOYSA-N -1 3 344.459 2.354 10 30 EEEEHM C=CCCOCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001339655884 1337045272 /nfs/dbraw/zinc/04/52/72/1337045272.db2.gz SGFOKHUJZLYAFH-HUUCEWRRSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccccc2[O-])CCC1 ZINC001354035775 1338399400 /nfs/dbraw/zinc/39/94/00/1338399400.db2.gz CUSCLHNGWKGOKF-QLPKVWCKSA-N -1 3 340.423 2.325 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCc1ccc(Br)nc1N ZINC001651872877 1354068769 /nfs/dbraw/zinc/06/87/69/1354068769.db2.gz AXQKVXXCSGOBQH-UHFFFAOYSA-N -1 3 342.222 2.202 10 30 EEEEHM C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001660826077 1354545291 /nfs/dbraw/zinc/54/52/91/1354545291.db2.gz FJOQYBUYHCCIAX-OAHLLOKOSA-N -1 3 344.459 2.497 10 30 EEEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001669693125 1356195826 /nfs/dbraw/zinc/19/58/26/1356195826.db2.gz WODCHTJTBYEKPP-CQSZACIVSA-N -1 3 347.396 2.456 10 30 EEEEHM C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001682138475 1358144849 /nfs/dbraw/zinc/14/48/49/1358144849.db2.gz SPBMZRMACVEUSJ-JKSUJKDBSA-N -1 3 342.439 2.410 10 30 EEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000918463569 769118292 /nfs/dbraw/zinc/11/82/92/769118292.db2.gz QZSPHAIISORVDP-CYBMUJFWSA-N -1 3 336.438 2.127 10 30 EEEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)OCC ZINC000918543582 769190334 /nfs/dbraw/zinc/19/03/34/769190334.db2.gz IFWGZOGOGMPFAV-JTQLQIEISA-N -1 3 347.811 2.416 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000820185628 785828310 /nfs/dbraw/zinc/82/83/10/785828310.db2.gz PFGWWNCUJIJWRL-HNNXBMFYSA-N -1 3 347.802 2.467 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908997358 785927199 /nfs/dbraw/zinc/92/71/99/785927199.db2.gz KCIPNVNOPDVYCD-DLBZAZTESA-N -1 3 345.443 2.370 10 30 EEEEHM Cc1ncc(CO)c(C=NNC(=S)Nc2ccc(F)cc2)c1[O-] ZINC000254482131 788187721 /nfs/dbraw/zinc/18/77/21/788187721.db2.gz AHZAJUMYTRKYHO-UHFFFAOYSA-N -1 3 334.376 2.048 10 30 EEEEHM C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000844000014 788795632 /nfs/dbraw/zinc/79/56/32/788795632.db2.gz TTYSMDVAIASUKR-WBVHZDCISA-N -1 3 340.423 2.259 10 30 EEEEHM COCCOc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000915981614 797465706 /nfs/dbraw/zinc/46/57/06/797465706.db2.gz VGBIHIHJMULZNY-ODLFYWEKSA-N -1 3 330.384 2.232 10 30 EEEEHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000917520825 798253609 /nfs/dbraw/zinc/25/36/09/798253609.db2.gz UQLQOSTWZRCTQO-JTQLQIEISA-N -1 3 334.738 2.482 10 30 EEEEHM C=CCCCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001509723715 1115884596 /nfs/dbraw/zinc/88/45/96/1115884596.db2.gz NTONZCZJSHONRH-WMLDXEAASA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCCC(=O)N1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001511195055 1117995807 /nfs/dbraw/zinc/99/58/07/1117995807.db2.gz APMLSHFPUROLRA-TZMCWYRMSA-N -1 3 341.415 2.033 10 30 EEEEHM C=C(C)CCC(=O)N(C)C1CC(NC(=O)c2cccc3n[n-]nc32)C1 ZINC001511948178 1118333196 /nfs/dbraw/zinc/33/31/96/1118333196.db2.gz MVGQQECXDPSSHW-UHFFFAOYSA-N -1 3 341.415 2.033 10 30 EEEEHM C#C[C@H]1CCCN(c2nnc(-c3nn(-c4ccccc4)cc3[O-])n2C)C1 ZINC001519520600 1119084303 /nfs/dbraw/zinc/08/43/03/1119084303.db2.gz AKAVPWWUOWAGMO-AWEZNQCLSA-N -1 3 348.410 2.223 10 30 EEEEHM C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001527091352 1120657868 /nfs/dbraw/zinc/65/78/68/1120657868.db2.gz UDKDAMHVGGOXQF-OAHLLOKOSA-N -1 3 328.412 2.164 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001527247779 1120729347 /nfs/dbraw/zinc/72/93/47/1120729347.db2.gz CLLBZUKVOJTDJU-OAHLLOKOSA-N -1 3 328.412 2.164 10 30 EEEEHM Cc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000039516839 213239333 /nfs/dbraw/zinc/23/93/33/213239333.db2.gz FZOLCEDTCHNQPG-UHFFFAOYSA-N -1 3 327.384 2.356 10 30 EEEEHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4c(cn3)nc[nH]c4=O)nc21 ZINC000426869026 241348760 /nfs/dbraw/zinc/34/87/60/241348760.db2.gz MWMKADKBYXFFQP-LLVKDONJSA-N -1 3 344.334 2.405 10 30 EEEEHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@H](C)C2 ZINC000428376125 292352851 /nfs/dbraw/zinc/35/28/51/292352851.db2.gz PTBKNYSNACHASS-PXAZEXFGSA-N -1 3 327.409 2.474 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CCO)CCC2)c(Cl)c1 ZINC000355736263 163285415 /nfs/dbraw/zinc/28/54/15/163285415.db2.gz YFFDCROWUFJYQY-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434752236 268167969 /nfs/dbraw/zinc/16/79/69/268167969.db2.gz AIBDGEDEMWWVOV-UHFFFAOYSA-N -1 3 335.385 2.468 10 30 EEEEHM CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3nn[n-]c31)CC2 ZINC000328645424 465087925 /nfs/dbraw/zinc/08/79/25/465087925.db2.gz GKDQKGLSEVVWOC-SNVBAGLBSA-N -1 3 343.366 2.132 10 30 EEEEHM CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3[n-]nnc31)CC2 ZINC000328645424 465087930 /nfs/dbraw/zinc/08/79/30/465087930.db2.gz GKDQKGLSEVVWOC-SNVBAGLBSA-N -1 3 343.366 2.132 10 30 EEEEHM CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3n[n-]nc31)CC2 ZINC000328645424 465087936 /nfs/dbraw/zinc/08/79/36/465087936.db2.gz GKDQKGLSEVVWOC-SNVBAGLBSA-N -1 3 343.366 2.132 10 30 EEEEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21 ZINC000590755946 468329182 /nfs/dbraw/zinc/32/91/82/468329182.db2.gz LPCCGDHWFLYIAK-HNNXBMFYSA-N -1 3 343.408 2.318 10 30 EEEEHM N#Cc1ccnc([N-]c2cnn(CCN3CCCCC3)c2)c1[N+](=O)[O-] ZINC000092978269 462995990 /nfs/dbraw/zinc/99/59/90/462995990.db2.gz RAPDDMROTVQXIN-UHFFFAOYSA-N -1 3 341.375 2.287 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1CCO ZINC000356736957 465514483 /nfs/dbraw/zinc/51/44/83/465514483.db2.gz OUOZBONOBIKNCU-OAHLLOKOSA-N -1 3 345.443 2.362 10 30 EEEEHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C ZINC000424071571 466971839 /nfs/dbraw/zinc/97/18/39/466971839.db2.gz UWTUENFQWBOXHS-QMMMGPOBSA-N -1 3 347.234 2.406 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000528553739 467702285 /nfs/dbraw/zinc/70/22/85/467702285.db2.gz PDGORWJFHBSMQA-QOBXEIRBSA-N -1 3 328.821 2.302 10 30 EEEEHM CC(C)c1nc(S(=O)(=O)[N-]Cc2cc(F)c(C#N)c(F)c2)c[nH]1 ZINC000594470266 468597797 /nfs/dbraw/zinc/59/77/97/468597797.db2.gz IXZWUOAPCLZVHE-UHFFFAOYSA-N -1 3 340.355 2.161 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594475938 468599692 /nfs/dbraw/zinc/59/96/92/468599692.db2.gz ZPHZRTSPNITKIJ-GDBMZVCRSA-N -1 3 338.404 2.323 10 30 EEEEHM C[C@@]1(c2cccc(-c3noc(CCCCC#N)n3)c2)NC(=O)[N-]C1=O ZINC000594541090 468617541 /nfs/dbraw/zinc/61/75/41/468617541.db2.gz XXYUTSXLHIZFTH-KRWDZBQOSA-N -1 3 339.355 2.028 10 30 EEEEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C12CCC2 ZINC000594863895 468711197 /nfs/dbraw/zinc/71/11/97/468711197.db2.gz JQOCWRYEBOIQQB-CABCVRRESA-N -1 3 349.456 2.358 10 30 EEEEHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCN(CC)C1 ZINC000598040151 468746595 /nfs/dbraw/zinc/74/65/95/468746595.db2.gz DAYVLWRREPJGKA-OAHLLOKOSA-N -1 3 344.459 2.151 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCCN1CCc2ccccc21 ZINC000593530131 469019419 /nfs/dbraw/zinc/01/94/19/469019419.db2.gz SYBBQKWTGBKKQM-UHFFFAOYSA-N -1 3 347.465 2.351 10 30 EEEEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000601964322 469115685 /nfs/dbraw/zinc/11/56/85/469115685.db2.gz YWFVUDDGVLMPHO-LLVKDONJSA-N -1 3 338.355 2.046 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cncc(Cl)c2)c(F)c1 ZINC000611105470 469161720 /nfs/dbraw/zinc/16/17/20/469161720.db2.gz SMGODXDCIMWTIB-UHFFFAOYSA-N -1 3 325.752 2.224 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC000651746770 471103499 /nfs/dbraw/zinc/10/34/99/471103499.db2.gz ASQOFFVDKHWEDG-UHFFFAOYSA-N -1 3 348.396 2.293 10 30 EEEEHM CC(C)(C#N)CCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000776375570 577458573 /nfs/dbraw/zinc/45/85/73/577458573.db2.gz NZCDUVLFDXILGD-CQSZACIVSA-N -1 3 330.384 2.480 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H](O)c2ccccc2Cl)CCCC1 ZINC000759041908 577636021 /nfs/dbraw/zinc/63/60/21/577636021.db2.gz UVOPVEJOEPVPCL-CQSZACIVSA-N -1 3 342.848 2.377 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)CCCC1 ZINC000759041907 577636067 /nfs/dbraw/zinc/63/60/67/577636067.db2.gz UVOPVEJOEPVPCL-AWEZNQCLSA-N -1 3 342.848 2.377 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H]2CCN(c3ncccc3Cl)C2)c1[O-] ZINC000757525324 577859976 /nfs/dbraw/zinc/85/99/76/577859976.db2.gz FVVMDABBAKYKDN-RSZRJMOXSA-N -1 3 346.818 2.334 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000798471706 688364457 /nfs/dbraw/zinc/36/44/57/688364457.db2.gz BVVRAHYWHOFEHD-SNVBAGLBSA-N -1 3 330.793 2.493 10 30 EEEEHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1cccc(O)c1 ZINC000904197752 694326617 /nfs/dbraw/zinc/32/66/17/694326617.db2.gz NYAXVNCIFKHQND-UHFFFAOYSA-N -1 3 342.395 2.363 10 30 EEEEHM C=CCN[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC001267377159 1178919362 /nfs/dbraw/zinc/91/93/62/1178919362.db2.gz MQQNEZMJEGFVCX-CQSZACIVSA-N -1 3 338.367 2.175 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001299266337 1193433374 /nfs/dbraw/zinc/43/33/74/1193433374.db2.gz XFEQQLNGSLRJGG-CVEARBPZSA-N -1 3 340.423 2.257 10 30 EEEEHM CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC001746041248 1187167643 /nfs/dbraw/zinc/16/76/43/1187167643.db2.gz KIKWFMUSDCXPSR-GJZGRUSLSA-N -1 3 326.396 2.011 10 30 EEEEHM C=C1CC(C)(C(=O)NC[C@@H]2CCN2Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001483679828 1190739710 /nfs/dbraw/zinc/73/97/10/1190739710.db2.gz PIPBDXJPMRZASE-HNNXBMFYSA-N -1 3 342.443 2.106 10 30 EEEEHM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NCc1cc(C#N)ccc1F ZINC001485135103 1191659471 /nfs/dbraw/zinc/65/94/71/1191659471.db2.gz BUEUUCKHGJVRGJ-NWDGAFQWSA-N -1 3 342.374 2.095 10 30 EEEEHM C=CC(C)(C)CC(=O)N(C)CC[C@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001487062209 1197166359 /nfs/dbraw/zinc/16/63/59/1197166359.db2.gz ATMKAMILXBAXIM-ZDUSSCGKSA-N -1 3 335.452 2.010 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000870283332 1200591550 /nfs/dbraw/zinc/59/15/50/1200591550.db2.gz VUHSTFXMBQUHJD-UHFFFAOYSA-N -1 3 340.445 2.486 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC)c1ccc(F)cc1 ZINC000882212233 1201832589 /nfs/dbraw/zinc/83/25/89/1201832589.db2.gz GYULCBPEFDKEPO-CABCVRRESA-N -1 3 341.404 2.151 10 30 EEEEHM C=CCN1CC[C@@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1=O ZINC000924085821 1205933672 /nfs/dbraw/zinc/93/36/72/1205933672.db2.gz UBUQOPGJZGCANZ-LLVKDONJSA-N -1 3 335.310 2.444 10 30 EEEEHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3cc(C#N)sc3[N+](=O)[O-])C2)n1 ZINC001187600157 1279585337 /nfs/dbraw/zinc/58/53/37/1279585337.db2.gz MUYSFYFLEPGLCL-VIFPVBQESA-N -1 3 346.372 2.023 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001488250456 1287002469 /nfs/dbraw/zinc/00/24/69/1287002469.db2.gz RHKOSLVQBKIWNK-HOCLYGCPSA-N -1 3 328.412 2.161 10 30 EEEEHM COCC(COC)NN=C(C)c1cc(Br)ccc1[O-] ZINC000863196621 1296145509 /nfs/dbraw/zinc/14/55/09/1296145509.db2.gz PPGLPJMBBSQPGM-UHFFFAOYSA-N -1 3 331.210 2.130 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000797785116 1304834195 /nfs/dbraw/zinc/83/41/95/1304834195.db2.gz UBVXVLMGPBBIGJ-NJSYOOGUSA-N -1 3 345.443 2.188 10 30 EEEEHM CC(=NN[C@H]1CCCSC1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC001262040316 1322225767 /nfs/dbraw/zinc/22/57/67/1322225767.db2.gz MLMSFZVMSJBKKN-KRWDZBQOSA-N -1 3 349.500 2.434 10 30 EEEEHM CCCCCCCCC(=O)N[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001283897525 1326307772 /nfs/dbraw/zinc/30/77/72/1326307772.db2.gz QSALGBOLDIKBOY-CQSZACIVSA-N -1 3 348.447 2.264 10 30 EEEEHM C#CCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC001298075238 1330032724 /nfs/dbraw/zinc/03/27/24/1330032724.db2.gz BVLGLWMNOVZPDW-UHFFFAOYSA-N -1 3 338.363 2.293 10 30 EEEEHM C#CCCCC(=O)N[C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001335249386 1336354768 /nfs/dbraw/zinc/35/47/68/1336354768.db2.gz OKEGQTHCUHTFKS-INIZCTEOSA-N -1 3 328.412 2.163 10 30 EEEEHM C=C(C)CCC(=O)NC[C@@]1(C)CN(C(=O)c2ccccc2[O-])CCO1 ZINC001346755798 1337491285 /nfs/dbraw/zinc/49/12/85/1337491285.db2.gz JHXGUUJVIJLICS-IBGZPJMESA-N -1 3 346.427 2.096 10 30 EEEEHM C=C[C@@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001347965462 1337528008 /nfs/dbraw/zinc/52/80/08/1337528008.db2.gz ZCTOCBGKOSMFRO-CYBMUJFWSA-N -1 3 326.318 2.093 10 30 EEEEHM C#C[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(=C)C)C1 ZINC001355957492 1338774175 /nfs/dbraw/zinc/77/41/75/1338774175.db2.gz GUVMUDAPZMBLAX-AWEZNQCLSA-N -1 3 338.415 2.175 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(CCC)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001356522522 1338828777 /nfs/dbraw/zinc/82/87/77/1338828777.db2.gz BXGPPSFSCXNVQP-UHFFFAOYSA-N -1 3 348.447 2.061 10 30 EEEEHM Cn1cc(-c2nsc([N-]C(=O)c3cc(F)c(C#N)c(F)c3)n2)cn1 ZINC001648298035 1353422997 /nfs/dbraw/zinc/42/29/97/1353422997.db2.gz AFHZWBNOXYOAHQ-UHFFFAOYSA-N -1 3 346.322 2.341 10 30 EEEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000919807618 770313659 /nfs/dbraw/zinc/31/36/59/770313659.db2.gz AKVJLDAOUUUIFE-CYBMUJFWSA-N -1 3 338.454 2.416 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2ncccn2)C2CC2)c(F)c1 ZINC000921417745 773347070 /nfs/dbraw/zinc/34/70/70/773347070.db2.gz PGUZCFAZAIHUPP-HNNXBMFYSA-N -1 3 346.387 2.058 10 30 EEEEHM COc1ccc(-c2ccc(C(=O)N[C@H]3CCN([O-])C3=O)c(F)c2)cc1 ZINC000816695166 784202114 /nfs/dbraw/zinc/20/21/14/784202114.db2.gz WPQNCZOFYPUYLA-INIZCTEOSA-N -1 3 344.342 2.221 10 30 EEEEHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H]1CCCN([O-])C1=O ZINC000816760024 784247546 /nfs/dbraw/zinc/24/75/46/784247546.db2.gz ZXUQRXSWHQURLI-BBRMVZONSA-N -1 3 332.400 2.002 10 30 EEEEHM C=CCC1(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)CCOCC1 ZINC000910047474 786417393 /nfs/dbraw/zinc/41/73/93/786417393.db2.gz PIPBQTQALXOHEZ-UHFFFAOYSA-N -1 3 327.388 2.102 10 30 EEEEHM C=CCC1(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)CCOCC1 ZINC000910047474 786417399 /nfs/dbraw/zinc/41/73/99/786417399.db2.gz PIPBQTQALXOHEZ-UHFFFAOYSA-N -1 3 327.388 2.102 10 30 EEEEHM C=C1CCC(C[N-]S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000921598061 789841047 /nfs/dbraw/zinc/84/10/47/789841047.db2.gz DWAAMKBBVMJWIA-UHFFFAOYSA-N -1 3 348.266 2.207 10 30 EEEEHM N#Cc1ccnc(NCc2cc(=O)[n-]c(C3CCC3)n2)c1[N+](=O)[O-] ZINC001458516474 1109885522 /nfs/dbraw/zinc/88/55/22/1109885522.db2.gz NTPMCAVOWYNLPC-UHFFFAOYSA-N -1 3 326.316 2.237 10 30 EEEEHM COc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c([O-])c1 ZINC001469872835 1110498335 /nfs/dbraw/zinc/49/83/35/1110498335.db2.gz VLDHKYSNCOSDRN-KRWDZBQOSA-N -1 3 326.352 2.078 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccc(OCC#N)cc2)[n-]n1 ZINC001472090402 1110541827 /nfs/dbraw/zinc/54/18/27/1110541827.db2.gz BMPNVWYMIZSQKN-UHFFFAOYSA-N -1 3 342.355 2.058 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccc(OCC#N)cc2)n[n-]1 ZINC001472090402 1110541829 /nfs/dbraw/zinc/54/18/29/1110541829.db2.gz BMPNVWYMIZSQKN-UHFFFAOYSA-N -1 3 342.355 2.058 10 30 EEEEHM Cc1ncc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000156746852 292559236 /nfs/dbraw/zinc/55/92/36/292559236.db2.gz ZBSRIXSUGQZRRS-UHFFFAOYSA-N -1 3 327.818 2.455 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000390766283 268330362 /nfs/dbraw/zinc/33/03/62/268330362.db2.gz QYPCNPRNWBNYRH-UHFFFAOYSA-N -1 3 345.424 2.229 10 30 EEEEHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C#N)cc2C)C2CC2)no1 ZINC000567430514 319378817 /nfs/dbraw/zinc/37/88/17/319378817.db2.gz KKAYMGBJTIZQBR-MRXNPFEDSA-N -1 3 346.412 2.162 10 30 EEEEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000578899764 323732636 /nfs/dbraw/zinc/73/26/36/323732636.db2.gz WOOJMKJAKDRPOP-ZWNOBZJWSA-N -1 3 330.837 2.287 10 30 EEEEHM N#C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)c1ccc(Cl)c(Cl)c1 ZINC000092385021 462948345 /nfs/dbraw/zinc/94/83/45/462948345.db2.gz BDCHFNWESPBWDG-JTQLQIEISA-N -1 3 331.184 2.260 10 30 EEEEHM N#C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000522150979 468357884 /nfs/dbraw/zinc/35/78/84/468357884.db2.gz MFDMAVQRTRJTAI-CYBMUJFWSA-N -1 3 346.184 2.323 10 30 EEEEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)O1 ZINC000188747093 464360079 /nfs/dbraw/zinc/36/00/79/464360079.db2.gz ZWZPFESYWPRCDA-JTQLQIEISA-N -1 3 328.821 2.448 10 30 EEEEHM C=CC[C@H]1CCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OC)C1 ZINC000600003858 468433540 /nfs/dbraw/zinc/43/35/40/468433540.db2.gz IDECTJTVHVULFP-NSHDSACASA-N -1 3 336.413 2.206 10 30 EEEEHM C=CCCCS(=O)(=O)[N-][C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC000416542510 466740755 /nfs/dbraw/zinc/74/07/55/466740755.db2.gz DWPIWVSUTQBQAX-YPMHNXCESA-N -1 3 331.459 2.207 10 30 EEEEHM Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)nn1CCC#N ZINC000436669061 467550087 /nfs/dbraw/zinc/55/00/87/467550087.db2.gz ZLBJDPMDGKSUCQ-UHFFFAOYSA-N -1 3 340.383 2.777 10 30 EEEEHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NCC(F)F ZINC000444370092 467582560 /nfs/dbraw/zinc/58/25/60/467582560.db2.gz WYEOHOOSMJBTQO-VIFPVBQESA-N -1 3 346.202 2.066 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](OC(F)F)C1 ZINC000549214506 468177662 /nfs/dbraw/zinc/17/76/62/468177662.db2.gz KCNZENUNPGZIDK-NSHDSACASA-N -1 3 339.342 2.048 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]1C(F)(F)F ZINC000590377303 468242193 /nfs/dbraw/zinc/24/21/93/468242193.db2.gz HOSHNXWRXSZZQN-GFCCVEGCSA-N -1 3 327.306 2.372 10 30 EEEEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccccc1F ZINC000582550896 468556370 /nfs/dbraw/zinc/55/63/70/468556370.db2.gz GDPXDFAYOMZEJC-BXUZGUMPSA-N -1 3 328.409 2.107 10 30 EEEEHM COCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000594474312 468598530 /nfs/dbraw/zinc/59/85/30/468598530.db2.gz HUXPGSOPVQSICU-UHFFFAOYSA-N -1 3 348.346 2.282 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000594486443 468605493 /nfs/dbraw/zinc/60/54/93/468605493.db2.gz FVNNQGBBRBKORG-UONOGXRCSA-N -1 3 326.393 2.323 10 30 EEEEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000594800391 468691143 /nfs/dbraw/zinc/69/11/43/468691143.db2.gz DPIITRRAAATYPG-CYBMUJFWSA-N -1 3 326.393 2.181 10 30 EEEEHM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)nc1C ZINC000594812383 468694933 /nfs/dbraw/zinc/69/49/33/468694933.db2.gz CZRQYZOWHIFHOW-UHFFFAOYSA-N -1 3 332.429 2.297 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCN1Cc1ccccc1 ZINC000595392640 468836463 /nfs/dbraw/zinc/83/64/63/468836463.db2.gz KHPNHGASBPRKAN-CQSZACIVSA-N -1 3 347.465 2.173 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)OC ZINC000601503155 468898289 /nfs/dbraw/zinc/89/82/89/468898289.db2.gz YQBXTLFMBBGCAL-GFCCVEGCSA-N -1 3 335.784 2.265 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000593664830 469083790 /nfs/dbraw/zinc/08/37/90/469083790.db2.gz VMCASTCDCHUJGQ-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM C[C@@]1(C[C@@H]2CCCN2c2cc(C#N)nc3ccccc32)NC(=O)[N-]C1=O ZINC000588073512 469111198 /nfs/dbraw/zinc/11/11/98/469111198.db2.gz AHCRLESUUJZCRV-DJJJIMSYSA-N -1 3 349.394 2.063 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000625327859 470120284 /nfs/dbraw/zinc/12/02/84/470120284.db2.gz MOFJQUPOPLEGFY-UHFFFAOYSA-N -1 3 344.502 2.307 10 30 EEEEHM CCCC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc(Cl)c(Cl)c1 ZINC000765595857 577503734 /nfs/dbraw/zinc/50/37/34/577503734.db2.gz QNZWVQVRKFQLQQ-UHFFFAOYSA-N -1 3 327.171 2.100 10 30 EEEEHM C#CC[N-]C(=S)C(C(=O)c1cccc(OC)c1)[n+]1cccc([O-])c1 ZINC000759052669 577636268 /nfs/dbraw/zinc/63/62/68/577636268.db2.gz VPVQRVGJCNKOBQ-UHFFFAOYSA-O -1 3 341.412 2.122 10 30 EEEEHM CC(C)[C@H]1C[C@@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184481 694314530 /nfs/dbraw/zinc/31/45/30/694314530.db2.gz RPYQHXZHVHMJCW-CABCVRRESA-N -1 3 330.384 2.183 10 30 EEEEHM CCCCCCN([O-])C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000904205283 694328509 /nfs/dbraw/zinc/32/85/09/694328509.db2.gz FWJACUBQDRPAOF-CYBMUJFWSA-N -1 3 337.342 2.358 10 30 EEEEHM CCCCN([O-])C(=O)Cc1csc(S[C@H](CC)C(N)=O)n1 ZINC000904215840 694328941 /nfs/dbraw/zinc/32/89/41/694328941.db2.gz MSRAHBDTOCBPMY-SNVBAGLBSA-N -1 3 331.463 2.060 10 30 EEEEHM C=CCCCC(=O)N1CCC(N(Cc2n[nH]c(=O)[n-]2)CC2CC2)CC1 ZINC001483817773 1191046640 /nfs/dbraw/zinc/04/66/40/1191046640.db2.gz YNSGHFONFYEUEZ-UHFFFAOYSA-N -1 3 347.463 2.070 10 30 EEEEHM C=C(Cl)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)OCC ZINC000870034281 1200422349 /nfs/dbraw/zinc/42/23/49/1200422349.db2.gz AUEIQCGRAADCQM-LBPRGKRZSA-N -1 3 329.755 2.264 10 30 EEEEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CC(C)(C)C#N)s1 ZINC001412266405 1205681314 /nfs/dbraw/zinc/68/13/14/1205681314.db2.gz FAANEMAYTNNHFS-UHFFFAOYSA-N -1 3 344.462 2.098 10 30 EEEEHM O=C1CS/C(=N\N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[N-]1 ZINC000254869349 1217660766 /nfs/dbraw/zinc/66/07/66/1217660766.db2.gz ICQQLPPUDJKJHK-UHFFFAOYSA-N -1 3 330.325 2.408 10 30 EEEEHM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2cc(C#N)cs2)cc1 ZINC001198194978 1285031992 /nfs/dbraw/zinc/03/19/92/1285031992.db2.gz NUJQWJKWLKYVPR-UHFFFAOYSA-N -1 3 343.408 2.017 10 30 EEEEHM C#CCCCC(=O)N1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001487558052 1286004365 /nfs/dbraw/zinc/00/43/65/1286004365.db2.gz PJUPQMRCARRIPV-UHFFFAOYSA-N -1 3 328.412 2.259 10 30 EEEEHM C[C@H](NC(=O)c1ccccc1[O-])C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001280613261 1324340665 /nfs/dbraw/zinc/34/06/65/1324340665.db2.gz OFFCEAFZWQGUIR-ZDUSSCGKSA-N -1 3 328.412 2.018 10 30 EEEEHM C=CCCC(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1(C)C ZINC001276562266 1324367530 /nfs/dbraw/zinc/36/75/30/1324367530.db2.gz UZXKYVWUZUVAEW-OAHLLOKOSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001280714720 1324431625 /nfs/dbraw/zinc/43/16/25/1324431625.db2.gz XZOWNAKWZRCVMY-IHSNIMORSA-N -1 3 342.439 2.429 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001283457501 1326079998 /nfs/dbraw/zinc/07/99/98/1326079998.db2.gz VZMMDWVRHVHSLN-AWEZNQCLSA-N -1 3 328.412 2.163 10 30 EEEEHM C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001285405767 1326986251 /nfs/dbraw/zinc/98/62/51/1326986251.db2.gz ZPSXIGOLRDBXCJ-GOEBONIOSA-N -1 3 328.412 2.210 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccnc1Nc1ccccc1F ZINC001298541217 1330098651 /nfs/dbraw/zinc/09/86/51/1330098651.db2.gz CTJRELAJMKKRAC-AWEZNQCLSA-N -1 3 344.346 2.074 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001491926881 1330316637 /nfs/dbraw/zinc/31/66/37/1330316637.db2.gz WFXBAZSGZVYMPK-LSDHHAIUSA-N -1 3 346.427 2.046 10 30 EEEEHM C=C(CCC(=O)OC)C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001304884575 1331402393 /nfs/dbraw/zinc/40/23/93/1331402393.db2.gz SVRYYGOLKMAPCB-UHFFFAOYSA-N -1 3 345.355 2.188 10 30 EEEEHM C=CCNCc1nc2c(s1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001316806521 1331903365 /nfs/dbraw/zinc/90/33/65/1331903365.db2.gz PASPYLVPGPTATA-UHFFFAOYSA-N -1 3 329.425 2.323 10 30 EEEEHM CN(C(=O)c1ccccc1[O-])[C@H](CNC(=O)C#CC(C)(C)C)C1CC1 ZINC001336865971 1336606584 /nfs/dbraw/zinc/60/65/84/1336606584.db2.gz JSWGZOWVPXYJQX-MRXNPFEDSA-N -1 3 342.439 2.409 10 30 EEEEHM O=C(/C=C\c1ccc(F)c2ccccc12)N[C@@H]1CCCN([O-])C1=O ZINC001569676775 1342922587 /nfs/dbraw/zinc/92/25/87/1342922587.db2.gz YKWUARBYLVMNJO-SIJIIQCFSA-N -1 3 328.343 2.489 10 30 EEEEHM N#Cc1cnc2c(F)c(F)c(F)cc2c1SCCc1nnn[n-]1 ZINC001651966775 1354071917 /nfs/dbraw/zinc/07/19/17/1354071917.db2.gz BXFPDZZYZSILML-UHFFFAOYSA-N -1 3 336.302 2.372 10 30 EEEEHM N#Cc1cnc2c(F)c(F)c(F)cc2c1SCCc1nn[n-]n1 ZINC001651966775 1354071919 /nfs/dbraw/zinc/07/19/19/1354071919.db2.gz BXFPDZZYZSILML-UHFFFAOYSA-N -1 3 336.302 2.372 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001688099027 1358782634 /nfs/dbraw/zinc/78/26/34/1358782634.db2.gz CTEAEUJLULHQHJ-FOLVSLTJSA-N -1 3 328.412 2.181 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000921383374 773319015 /nfs/dbraw/zinc/31/90/15/773319015.db2.gz VMZMMUZHPDEILZ-ARFHVFGLSA-N -1 3 337.441 2.360 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(=O)OC ZINC000921383921 773319069 /nfs/dbraw/zinc/31/90/69/773319069.db2.gz FUAFUYHZKHLZRY-CQSZACIVSA-N -1 3 329.393 2.143 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1cccc(C)c1 ZINC000820180076 785823538 /nfs/dbraw/zinc/82/35/38/785823538.db2.gz UVBIIIRBQKBBBB-MRXNPFEDSA-N -1 3 327.384 2.122 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000820179508 785824306 /nfs/dbraw/zinc/82/43/06/785824306.db2.gz LVCXVYMCOGHBMD-SECBINFHSA-N -1 3 328.155 2.195 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095220 785993956 /nfs/dbraw/zinc/99/39/56/785993956.db2.gz UKWMRESRTGEZHD-PVAVHDDUSA-N -1 3 345.443 2.368 10 30 EEEEHM Cc1cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)ccc1C#N ZINC000921856507 797658066 /nfs/dbraw/zinc/65/80/66/797658066.db2.gz MAMKZXIKAVBPOR-WCQYABFASA-N -1 3 348.346 2.112 10 30 EEEEHM Cc1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)ccc1C#N ZINC000921856508 797658310 /nfs/dbraw/zinc/65/83/10/797658310.db2.gz MAMKZXIKAVBPOR-YPMHNXCESA-N -1 3 348.346 2.112 10 30 EEEEHM COc1ccc(-n2cc(C(=O)[N-]c3snc(C)c3C#N)nn2)cc1 ZINC001128320202 798839300 /nfs/dbraw/zinc/83/93/00/798839300.db2.gz ZDTZWOUAWGMTMW-UHFFFAOYSA-N -1 3 340.368 2.165 10 30 EEEEHM C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495785338 1101595072 /nfs/dbraw/zinc/59/50/72/1101595072.db2.gz XKMIKMLZMYMPQS-ZIAGYGMSSA-N -1 3 329.400 2.053 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001498986507 1108419387 /nfs/dbraw/zinc/41/93/87/1108419387.db2.gz PMCNTFJRMFPLLV-HNNXBMFYSA-N -1 3 344.459 2.352 10 30 EEEEHM C#C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001514664337 1118826106 /nfs/dbraw/zinc/82/61/06/1118826106.db2.gz UJNRLPLSDJJJTC-GFCCVEGCSA-N -1 3 340.832 2.339 10 30 EEEEHM N#CC(=C([O-])c1cn2c(n1)COCC2)c1nc2c(cccc2Cl)[nH]1 ZINC001520068505 1119124628 /nfs/dbraw/zinc/12/46/28/1119124628.db2.gz HSMKDTXWSQGZRQ-VIFPVBQESA-N -1 3 341.758 2.433 10 30 EEEEHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOCC1 ZINC001520198200 1119135834 /nfs/dbraw/zinc/13/58/34/1119135834.db2.gz QZFYJMQSQDYAPD-UHFFFAOYSA-N -1 3 343.412 2.283 10 30 EEEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000451204394 243030815 /nfs/dbraw/zinc/03/08/15/243030815.db2.gz WTKFTTYZRBSOAA-OAHLLOKOSA-N -1 3 349.456 2.041 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000125327969 292295733 /nfs/dbraw/zinc/29/57/33/292295733.db2.gz UUUIZKNXRDIIJT-AWEZNQCLSA-N -1 3 336.438 2.081 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000344927226 161256625 /nfs/dbraw/zinc/25/66/25/161256625.db2.gz YSBMAPQSCHWZHH-UHFFFAOYSA-N -1 3 327.337 2.027 10 30 EEEEHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352352368 162100455 /nfs/dbraw/zinc/10/04/55/162100455.db2.gz HNMQHHFXZYSQSY-UHFFFAOYSA-N -1 3 334.319 2.188 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000328879196 465155104 /nfs/dbraw/zinc/15/51/04/465155104.db2.gz VBSRKABEPWCPSB-WMLDXEAASA-N -1 3 343.427 2.236 10 30 EEEEHM CC(C)([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nccs1 ZINC000116377408 462757121 /nfs/dbraw/zinc/75/71/21/462757121.db2.gz HERZQMUJHXIJQU-UHFFFAOYSA-N -1 3 325.390 2.367 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCCC2)c(Cl)c1 ZINC000096001978 463136966 /nfs/dbraw/zinc/13/69/66/463136966.db2.gz HRCYDGNHPSRSTA-CYBMUJFWSA-N -1 3 328.821 2.041 10 30 EEEEHM C=CCc1ccc(OCC(=O)NCc2ncccc2[O-])c(OC)c1 ZINC000352518482 465534627 /nfs/dbraw/zinc/53/46/27/465534627.db2.gz XIEMLQGBHKMCBL-UHFFFAOYSA-N -1 3 328.368 2.220 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCSC[C@@H]1C#N)c2=O ZINC000299125163 465612670 /nfs/dbraw/zinc/61/26/70/465612670.db2.gz XBKAGLXVKKAHPQ-JTQLQIEISA-N -1 3 329.381 2.030 10 30 EEEEHM C=CCN(CC=C)[C@H](CN=c1[n-]c(C2CCOCC2)no1)C(C)C ZINC000413052937 467160884 /nfs/dbraw/zinc/16/08/84/467160884.db2.gz ZCJFRNDHAKWZCP-MRXNPFEDSA-N -1 3 334.464 2.496 10 30 EEEEHM CCOC(=O)c1cc(C(=O)[N-]c2cc(C#N)ccc2OCC)on1 ZINC000448786347 467601673 /nfs/dbraw/zinc/60/16/73/467601673.db2.gz HFNDINHDKMLQLO-UHFFFAOYSA-N -1 3 329.312 2.374 10 30 EEEEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000528498994 467689926 /nfs/dbraw/zinc/68/99/26/467689926.db2.gz YDLBWKZKVBOFBL-YGRLFVJLSA-N -1 3 326.805 2.057 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NC[C@H]2CCN2C2CCCC2)cc1C#N ZINC000600469473 468566291 /nfs/dbraw/zinc/56/62/91/468566291.db2.gz BNCYEVGPDVGXDK-CYBMUJFWSA-N -1 3 346.456 2.127 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594475941 468599421 /nfs/dbraw/zinc/59/94/21/468599421.db2.gz ZPHZRTSPNITKIJ-ZBFHGGJFSA-N -1 3 338.404 2.323 10 30 EEEEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000594800392 468691098 /nfs/dbraw/zinc/69/10/98/468691098.db2.gz DPIITRRAAATYPG-ZDUSSCGKSA-N -1 3 326.393 2.181 10 30 EEEEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)O1 ZINC000594851229 468705060 /nfs/dbraw/zinc/70/50/60/468705060.db2.gz HYTAGQDRNJYYDZ-GWCFXTLKSA-N -1 3 328.821 2.448 10 30 EEEEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)O1 ZINC000594852541 468705709 /nfs/dbraw/zinc/70/57/09/468705709.db2.gz RAVHAOYZXQFCOL-BXUZGUMPSA-N -1 3 326.393 2.074 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCc1cnc(C(=O)OCC)s1 ZINC000601078640 468736604 /nfs/dbraw/zinc/73/66/04/468736604.db2.gz NTQKEXQJBPEYRZ-UHFFFAOYSA-N -1 3 326.403 2.095 10 30 EEEEHM C=CCCCCCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000571178142 468752571 /nfs/dbraw/zinc/75/25/71/468752571.db2.gz XRZYTBMHVGRWFQ-GOSISDBHSA-N -1 3 329.400 2.217 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2c(c1)CCCO2 ZINC000595417016 468845368 /nfs/dbraw/zinc/84/53/68/468845368.db2.gz WZIHZCRGNXLWHS-GFCCVEGCSA-N -1 3 343.408 2.318 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)OC ZINC000601501465 468896330 /nfs/dbraw/zinc/89/63/30/468896330.db2.gz AHSFCPZDGNRKAM-CYBMUJFWSA-N -1 3 349.811 2.406 10 30 EEEEHM COC1CCC(CC[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593577063 469043531 /nfs/dbraw/zinc/04/35/31/469043531.db2.gz ZDJOFKHKLSCPOS-UHFFFAOYSA-N -1 3 328.459 2.493 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2noc3c2CCCC3)c(F)c1 ZINC000573230532 469087845 /nfs/dbraw/zinc/08/78/45/469087845.db2.gz OSCGYMJQJJFOCT-UHFFFAOYSA-N -1 3 349.387 2.184 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000563678503 469243842 /nfs/dbraw/zinc/24/38/42/469243842.db2.gz SNBOPTMYHBBHAF-CABCVRRESA-N -1 3 325.368 2.275 10 30 EEEEHM Cc1nc([N-]C(=O)c2sccc2C#N)n(-c2ccc(C#N)cc2)n1 ZINC000610232637 469990372 /nfs/dbraw/zinc/99/03/72/469990372.db2.gz FJGHTASCDGEYED-UHFFFAOYSA-N -1 3 334.364 2.055 10 30 EEEEHM C=CCOc1ccc(CN2CC[C@](COC)(C(=O)[O-])C2)cc1OC ZINC000635318141 470534702 /nfs/dbraw/zinc/53/47/02/470534702.db2.gz QQZHVIMYFVZOFG-SFHVURJKSA-N -1 3 335.400 2.183 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000679475122 485707571 /nfs/dbraw/zinc/70/75/71/485707571.db2.gz RNBRRXXUFBESAC-UHFFFAOYSA-N -1 3 338.198 2.069 10 30 EEEEHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2nc(C)ccc2[O-])C1=O ZINC000728778249 576526073 /nfs/dbraw/zinc/52/60/73/576526073.db2.gz BAGOUIGHJDLGLF-SFHVURJKSA-N -1 3 338.367 2.287 10 30 EEEEHM C[C@H](NCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)c1cccc(C#N)c1 ZINC000775335354 577435250 /nfs/dbraw/zinc/43/52/50/577435250.db2.gz IKZCGXJYZKGTPX-KBPBESRZSA-N -1 3 337.427 2.437 10 30 EEEEHM C=C(C)[C@@H](CC(=O)OCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)OCC ZINC000756468575 577844652 /nfs/dbraw/zinc/84/46/52/577844652.db2.gz BUGBXFWZUVIMKF-UKRRQHHQSA-N -1 3 349.431 2.129 10 30 EEEEHM C=C(C)COCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866964626 689726891 /nfs/dbraw/zinc/72/68/91/689726891.db2.gz MNFFUCIGYRBOSO-UHFFFAOYSA-N -1 3 347.849 2.216 10 30 EEEEHM CCCCCCN([O-])C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000904205600 694328146 /nfs/dbraw/zinc/32/81/46/694328146.db2.gz OQCZEDYOORQWGW-UHFFFAOYSA-N -1 3 325.409 2.039 10 30 EEEEHM C=C(C)CCC(=O)NC[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001670646609 1176967488 /nfs/dbraw/zinc/96/74/88/1176967488.db2.gz XRKMIJMBAFEYLF-HNNXBMFYSA-N -1 3 330.432 2.106 10 30 EEEEHM CC(C)(C)C#CC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001486595611 1194109363 /nfs/dbraw/zinc/10/93/63/1194109363.db2.gz NXEZLGXQANNOPW-UHFFFAOYSA-N -1 3 328.412 2.066 10 30 EEEEHM CO[C@@H]1CC[C@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000870706103 1200827427 /nfs/dbraw/zinc/82/74/27/1200827427.db2.gz MUCVFHNCLUNLMW-SMDDNHRTSA-N -1 3 331.416 2.234 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001488256777 1287120879 /nfs/dbraw/zinc/12/08/79/1287120879.db2.gz CJBGHMYFVZWVGW-ZBFHGGJFSA-N -1 3 328.412 2.161 10 30 EEEEHM CC(C)(C)OC(=O)N1CCC(C#CC(=O)[N-]OCC2CCC2)CC1 ZINC000856342361 1293488861 /nfs/dbraw/zinc/48/88/61/1293488861.db2.gz SDIVEUDHPCXDHL-UHFFFAOYSA-N -1 3 336.432 2.485 10 30 EEEEHM N#Cc1ccc(C2(C(=O)NCCCc3cc(=O)[nH][n-]3)CCCC2)cc1 ZINC000861740949 1295525911 /nfs/dbraw/zinc/52/59/11/1295525911.db2.gz XASQASVIMRBKFP-UHFFFAOYSA-N -1 3 338.411 2.142 10 30 EEEEHM O=C(/C=C\c1csc(C(F)(F)F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000861828503 1295555728 /nfs/dbraw/zinc/55/57/28/1295555728.db2.gz SDQNLMCZVIIKRF-ZBJFTSOASA-N -1 3 334.319 2.277 10 30 EEEEHM CCCC[C@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC1CC1 ZINC001280593192 1324323339 /nfs/dbraw/zinc/32/33/39/1324323339.db2.gz VJGMWLIBFMKJLL-OAHLLOKOSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCC1(C(=O)NCC2(NC(=O)c3cn[n-]n3)CCCC2)CCCC1 ZINC001285118613 1326875258 /nfs/dbraw/zinc/87/52/58/1326875258.db2.gz ROLJUJOFBGKEBJ-UHFFFAOYSA-N -1 3 345.447 2.100 10 30 EEEEHM CC(C)C[C@H](CNC(=O)C#CC1CC1)NC(=O)c1ccccc1[O-] ZINC001285250745 1326928611 /nfs/dbraw/zinc/92/86/11/1326928611.db2.gz WAMRYQGGAGHGGU-OAHLLOKOSA-N -1 3 328.412 2.066 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001287892296 1327559465 /nfs/dbraw/zinc/55/94/65/1327559465.db2.gz MYGZNRCGRATMNS-GDBMZVCRSA-N -1 3 328.412 2.305 10 30 EEEEHM C#CCCCCC(=O)N(C)C1CC(NC(=O)c2ccccc2[O-])C1 ZINC001288308891 1327710061 /nfs/dbraw/zinc/71/00/61/1327710061.db2.gz ZDELAWMNNAINMP-UHFFFAOYSA-N -1 3 328.412 2.305 10 30 EEEEHM C=CCOCC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001297890247 1330011868 /nfs/dbraw/zinc/01/18/68/1330011868.db2.gz KJLLKZUMYMCKOY-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCO[C@@H]1CCN(c2c(C(=O)[O-])cnc3cc4c(cc32)OCO4)C1 ZINC001326420666 1334090230 /nfs/dbraw/zinc/09/02/30/1334090230.db2.gz GLAKUNNKKIVPNZ-LLVKDONJSA-N -1 3 342.351 2.443 10 30 EEEEHM C=CCCC(=O)N[C@@H](C)CN(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC001337288954 1336677349 /nfs/dbraw/zinc/67/73/49/1336677349.db2.gz LMTUFKZRERFHPS-ZDUSSCGKSA-N -1 3 341.411 2.071 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C(C)C)C1 ZINC001339195130 1336973643 /nfs/dbraw/zinc/97/36/43/1336973643.db2.gz GCDAMAGYHPSYAB-ZDUSSCGKSA-N -1 3 328.420 2.417 10 30 EEEEHM O=C(CCOc1cc(Cl)cc(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC001628548438 1352536878 /nfs/dbraw/zinc/53/68/78/1352536878.db2.gz YNFHVVZITAUECJ-GFCCVEGCSA-N -1 3 347.198 2.259 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC001629950574 1352561002 /nfs/dbraw/zinc/56/10/02/1352561002.db2.gz BOOXTMPMXMRUJG-UHFFFAOYSA-N -1 3 339.326 2.457 10 30 EEEEHM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001652733431 1354100895 /nfs/dbraw/zinc/10/08/95/1354100895.db2.gz MPZQASFHOSUGJA-UHFFFAOYSA-N -1 3 330.344 2.187 10 30 EEEEHM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001652733431 1354100898 /nfs/dbraw/zinc/10/08/98/1354100898.db2.gz MPZQASFHOSUGJA-UHFFFAOYSA-N -1 3 330.344 2.187 10 30 EEEEHM C#CC1([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CCCC1 ZINC001665733900 1355377726 /nfs/dbraw/zinc/37/77/26/1355377726.db2.gz FYPNUPXEWCETMI-UHFFFAOYSA-N -1 3 339.388 2.145 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@H](CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001672377165 1356511781 /nfs/dbraw/zinc/51/17/81/1356511781.db2.gz RMWBAJAQUMEZRL-HBUWYVDXSA-N -1 3 349.479 2.125 10 30 EEEEHM O=C(CCCCc1nc2ccccc2s1)N[C@H]1CCN([O-])C1=O ZINC000816693611 784200424 /nfs/dbraw/zinc/20/04/24/784200424.db2.gz ONILVWLCUMZTHY-LBPRGKRZSA-N -1 3 333.413 2.115 10 30 EEEEHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCN([O-])C1=O ZINC000816696260 784202538 /nfs/dbraw/zinc/20/25/38/784202538.db2.gz VMFBIERSGMFEPG-GFCCVEGCSA-N -1 3 349.774 2.034 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1cccc(C)c1 ZINC000820180075 785823963 /nfs/dbraw/zinc/82/39/63/785823963.db2.gz UVBIIIRBQKBBBB-INIZCTEOSA-N -1 3 327.384 2.122 10 30 EEEEHM C=CCN(CC(=O)[O-])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379611074 802801852 /nfs/dbraw/zinc/80/18/52/802801852.db2.gz QRVHHAIQMSLVPG-QGZVFWFLSA-N -1 3 345.443 2.323 10 30 EEEEHM Cc1nsc([N-]C(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1C#N ZINC001459422181 1110174742 /nfs/dbraw/zinc/17/47/42/1110174742.db2.gz ADZJVVXNZSFWCS-UHFFFAOYSA-N -1 3 341.400 2.311 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C[C@H](C)CCC)C(=O)OCC ZINC001475578678 1110615133 /nfs/dbraw/zinc/61/51/33/1110615133.db2.gz LFWOSPQSDIZPDK-ZYHUDNBSSA-N -1 3 325.858 2.416 10 30 EEEEHM C[C@H]1C[C@H](NC(=O)c2ccccc2[O-])CN1C(=O)C#CC(C)(C)C ZINC001511253007 1118020418 /nfs/dbraw/zinc/02/04/18/1118020418.db2.gz APPNOXJYIYOZPE-KBPBESRZSA-N -1 3 328.412 2.161 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000351579489 465232337 /nfs/dbraw/zinc/23/23/37/465232337.db2.gz GRDQGBSJEGGNRG-GFCCVEGCSA-N -1 3 342.829 2.285 10 30 EEEEHM COC1(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)CCCC1 ZINC000297092402 465244746 /nfs/dbraw/zinc/24/47/46/465244746.db2.gz NZDRIWZGVYEWGM-UHFFFAOYSA-N -1 3 326.393 2.076 10 30 EEEEHM N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052506071 463084245 /nfs/dbraw/zinc/08/42/45/463084245.db2.gz HFKJQFYMBDFODA-KRWDZBQOSA-N -1 3 349.390 2.185 10 30 EEEEHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2C#N)o1 ZINC000097046163 463309148 /nfs/dbraw/zinc/30/91/48/463309148.db2.gz JBRWFZRBOFJFQX-UHFFFAOYSA-N -1 3 325.777 2.128 10 30 EEEEHM COC(=O)N1CC(=O)C(c2cn(C(C)=O)c3ccccc23)=C([O-])C1 ZINC000141249794 463349887 /nfs/dbraw/zinc/34/98/87/463349887.db2.gz LMVPZKIXMOLYEW-UHFFFAOYSA-N -1 3 328.324 2.222 10 30 EEEEHM N#C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)cc1F ZINC000072287891 463498840 /nfs/dbraw/zinc/49/88/40/463498840.db2.gz RBFXILNZLKBCGM-CQSZACIVSA-N -1 3 340.289 2.196 10 30 EEEEHM CCCc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000109910896 463653542 /nfs/dbraw/zinc/65/35/42/463653542.db2.gz BQFFFAAITVBEIE-UHFFFAOYSA-N -1 3 327.388 2.110 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178301808 463877253 /nfs/dbraw/zinc/87/72/53/463877253.db2.gz QBQOKVUVAWZLJM-HUUCEWRRSA-N -1 3 327.428 2.445 10 30 EEEEHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000352861553 465561522 /nfs/dbraw/zinc/56/15/22/465561522.db2.gz IJIMEXGBNUIVEA-INIZCTEOSA-N -1 3 336.457 2.247 10 30 EEEEHM N#Cc1cc(NCCCNC(=O)c2cccc([O-])c2)nc2ccccc12 ZINC000346415948 466095355 /nfs/dbraw/zinc/09/53/55/466095355.db2.gz QKDJOQAQXCAQSF-UHFFFAOYSA-N -1 3 346.390 3.044 10 30 EEEEHM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000580721628 468482044 /nfs/dbraw/zinc/48/20/44/468482044.db2.gz GZFUVJLYCZFRQN-UHFFFAOYSA-N -1 3 343.387 3.023 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000365477067 466831447 /nfs/dbraw/zinc/83/14/47/466831447.db2.gz NURGIEYJNRBQSA-WMLDXEAASA-N -1 3 343.408 2.009 10 30 EEEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000373820743 466932101 /nfs/dbraw/zinc/93/21/01/466932101.db2.gz YTHHNSSLJZONBP-ZBFHGGJFSA-N -1 3 347.465 2.343 10 30 EEEEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000600668110 468614493 /nfs/dbraw/zinc/61/44/93/468614493.db2.gz LVJAHIDRNJRZNI-CABCVRRESA-N -1 3 342.436 2.241 10 30 EEEEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)O1 ZINC000594852198 468705776 /nfs/dbraw/zinc/70/57/76/468705776.db2.gz OJHIPPBBRAWPAO-CMPLNLGQSA-N -1 3 328.821 2.448 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3ccc(O)cc3[O-])CCOCC2)c1 ZINC000598247494 468805766 /nfs/dbraw/zinc/80/57/66/468805766.db2.gz ZHOOGGUCAFCKTR-UHFFFAOYSA-N -1 3 338.363 2.405 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)s1 ZINC000595381694 468833583 /nfs/dbraw/zinc/83/35/83/468833583.db2.gz YOIFVDXWZOTWRV-VHDGCEQUSA-N -1 3 334.397 2.375 10 30 EEEEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C12CCC2 ZINC000593553660 469032281 /nfs/dbraw/zinc/03/22/81/469032281.db2.gz UKUHYWUYKYJODL-OLZOCXBDSA-N -1 3 326.443 2.246 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000593564827 469038261 /nfs/dbraw/zinc/03/82/61/469038261.db2.gz DEJRFQAWMBWMMI-UHFFFAOYSA-N -1 3 325.440 2.432 10 30 EEEEHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)n[nH]1 ZINC000593586356 469047685 /nfs/dbraw/zinc/04/76/85/469047685.db2.gz SKBCMYSSXDRRSB-DTWKUNHWSA-N -1 3 339.446 2.291 10 30 EEEEHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)[nH]1 ZINC000593586356 469047694 /nfs/dbraw/zinc/04/76/94/469047694.db2.gz SKBCMYSSXDRRSB-DTWKUNHWSA-N -1 3 339.446 2.291 10 30 EEEEHM CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(C)C ZINC000593600167 469054073 /nfs/dbraw/zinc/05/40/73/469054073.db2.gz AOCBXBTXLNIAEA-RISCZKNCSA-N -1 3 330.475 2.187 10 30 EEEEHM N#C[C@@]1(NC(=O)Cc2ccc(Br)cc2[O-])CCSC1 ZINC000614910820 469092906 /nfs/dbraw/zinc/09/29/06/469092906.db2.gz DYWALADWDKEPPY-ZDUSSCGKSA-N -1 3 341.230 2.213 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000620308908 469809507 /nfs/dbraw/zinc/80/95/07/469809507.db2.gz GOZTUMRCSYWBGM-ZRGWGRIASA-N -1 3 339.395 2.064 10 30 EEEEHM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)on1 ZINC000610161524 469985032 /nfs/dbraw/zinc/98/50/32/469985032.db2.gz YRLARJWPDRFQOE-UHFFFAOYSA-N -1 3 325.777 2.241 10 30 EEEEHM C=CCOc1cccnc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320152 470294948 /nfs/dbraw/zinc/29/49/48/470294948.db2.gz HKQVEXWEAXXLOT-UHFFFAOYSA-N -1 3 340.383 2.340 10 30 EEEEHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570346 485514980 /nfs/dbraw/zinc/51/49/80/485514980.db2.gz SRGKOYQMWCSOEN-STQMWFEESA-N -1 3 339.436 2.239 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H]2CCN(C(=O)C3CCCCC3)C2)c1[O-] ZINC000760213606 577658960 /nfs/dbraw/zinc/65/89/60/577658960.db2.gz RKUNRSGQDJJRPO-QZPXRHMKSA-N -1 3 345.443 2.188 10 30 EEEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cc(=O)c([O-])co1 ZINC000736795988 578224136 /nfs/dbraw/zinc/22/41/36/578224136.db2.gz HSBWGLAHDGUCPL-QGZVFWFLSA-N -1 3 343.335 2.364 10 30 EEEEHM C[C@]1(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@H]2C[C@H]2C1 ZINC000904185413 694314698 /nfs/dbraw/zinc/31/46/98/694314698.db2.gz AYSAFCMKXKRANE-WURKVNMJSA-N -1 3 342.395 2.327 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(C)CC[C@@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001485435963 1191784184 /nfs/dbraw/zinc/78/41/84/1191784184.db2.gz VSIYAMQBNFPJDU-CYBMUJFWSA-N -1 3 337.468 2.075 10 30 EEEEHM C=CCOc1ccccc1CNCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865867234 1198407981 /nfs/dbraw/zinc/40/79/81/1198407981.db2.gz HAUKFJGYVUNZQQ-UHFFFAOYSA-N -1 3 327.384 2.110 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3C#N)CC2)o1 ZINC000867611411 1201643167 /nfs/dbraw/zinc/64/31/67/1201643167.db2.gz IYWRKIBSASIAHI-UHFFFAOYSA-N -1 3 345.424 2.407 10 30 EEEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001412570597 1205771938 /nfs/dbraw/zinc/77/19/38/1205771938.db2.gz XBMRVMWGVLMVIN-UHFFFAOYSA-N -1 3 342.443 2.304 10 30 EEEEHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cnn(C2CCC2)c1 ZINC000901193844 1235360185 /nfs/dbraw/zinc/36/01/85/1235360185.db2.gz ADDPFZXMLIRDTH-UHFFFAOYSA-N -1 3 346.456 2.494 10 30 EEEEHM C#CC[C@@H](COC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000860470759 1294978857 /nfs/dbraw/zinc/97/88/57/1294978857.db2.gz WOYQDHAVKXRMPO-HNNXBMFYSA-N -1 3 340.383 2.317 10 30 EEEEHM C#C[C@H](C)N(C)c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1CC ZINC001121805446 1310138304 /nfs/dbraw/zinc/13/83/04/1310138304.db2.gz DSEPIXGMXJPEFC-ZDUSSCGKSA-N -1 3 336.399 2.314 10 30 EEEEHM CCCCCCN([O-])C(=O)Cc1ccc(S(=O)(=O)NCC)cc1 ZINC001161826530 1320640240 /nfs/dbraw/zinc/64/02/40/1320640240.db2.gz DWXVTMMNQWJXKA-UHFFFAOYSA-N -1 3 342.461 2.325 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@H](C)CCCCNC(=O)c1cnc[n-]c1=O ZINC001281573416 1325306068 /nfs/dbraw/zinc/30/60/68/1325306068.db2.gz CZOBTLFZLZDUHP-CYBMUJFWSA-N -1 3 348.447 2.189 10 30 EEEEHM C[C@H](CNC(=O)CC#Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC001285622331 1327082979 /nfs/dbraw/zinc/08/29/79/1327082979.db2.gz PFLWWCZCQYHRAR-OAHLLOKOSA-N -1 3 336.391 2.069 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NCCC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001287298005 1327467792 /nfs/dbraw/zinc/46/77/92/1327467792.db2.gz RWFFYILGHVHKRT-STQMWFEESA-N -1 3 348.447 2.108 10 30 EEEEHM C[C@H](NCC#N)c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC001326468398 1334099373 /nfs/dbraw/zinc/09/93/73/1334099373.db2.gz LRTCKNYZCDITAK-LBPRGKRZSA-N -1 3 334.383 2.062 10 30 EEEEHM C=C[C@H](CC(=O)N1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001347252771 1337500401 /nfs/dbraw/zinc/50/04/01/1337500401.db2.gz DDLTVEMBVOWFGQ-OAHLLOKOSA-N -1 3 325.416 2.341 10 30 EEEEHM C=C[C@H](CC(=O)N1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001347252771 1337500402 /nfs/dbraw/zinc/50/04/02/1337500402.db2.gz DDLTVEMBVOWFGQ-OAHLLOKOSA-N -1 3 325.416 2.341 10 30 EEEEHM C=CCOCC(=O)N1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001356688827 1338859472 /nfs/dbraw/zinc/85/94/72/1338859472.db2.gz KXUHLPDVUPKKDW-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(=O)OCC ZINC001669267848 1356137931 /nfs/dbraw/zinc/13/79/31/1356137931.db2.gz RXQDMDCOTJCYIJ-NPCAHTBFSA-N -1 3 329.462 2.384 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(=O)OCC ZINC001669267846 1356138165 /nfs/dbraw/zinc/13/81/65/1356138165.db2.gz RXQDMDCOTJCYIJ-BBBYJDLNSA-N -1 3 329.462 2.384 10 30 EEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000918463570 769118193 /nfs/dbraw/zinc/11/81/93/769118193.db2.gz QZSPHAIISORVDP-ZDUSSCGKSA-N -1 3 336.438 2.127 10 30 EEEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC000921318170 773262942 /nfs/dbraw/zinc/26/29/42/773262942.db2.gz QOLWFIBPJRAHET-GXTWGEPZSA-N -1 3 326.393 2.317 10 30 EEEEHM O=C(CCc1cccc(OC2CCCC2)c1)N[C@@H]1CCN([O-])C1=O ZINC000816693211 784201202 /nfs/dbraw/zinc/20/12/02/784201202.db2.gz FTMJIHGVZZCFLZ-MRXNPFEDSA-N -1 3 332.400 2.047 10 30 EEEEHM C=C(Cl)C[C@H](NC(=O)NCCN(C)Cc1ccccc1)C(=O)[O-] ZINC000908874797 785812724 /nfs/dbraw/zinc/81/27/24/785812724.db2.gz CYEJHTAWIRJMSB-AWEZNQCLSA-N -1 3 339.823 2.013 10 30 EEEEHM COC(=O)CCN1CCC(N=Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000844622957 789263065 /nfs/dbraw/zinc/26/30/65/789263065.db2.gz GGTJZUHRUQPLIN-UHFFFAOYSA-N -1 3 333.388 2.120 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC001458988198 1110039874 /nfs/dbraw/zinc/03/98/74/1110039874.db2.gz BJMZNTTWGUSJLN-UHFFFAOYSA-N -1 3 345.384 2.125 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCO[C@H]2C(=C)C)c1 ZINC001528382771 1121002267 /nfs/dbraw/zinc/00/22/67/1121002267.db2.gz FLHWFYGARRDKAA-SJCJKPOMSA-N -1 3 330.384 2.228 10 30 EEEEHM N#Cc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)co1 ZINC001531635197 1122482638 /nfs/dbraw/zinc/48/26/38/1122482638.db2.gz QYPOLPBPRNXJDE-UHFFFAOYSA-N -1 3 329.268 2.473 10 30 EEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C#N)nc3)cc2)n1 ZINC000115043993 152007607 /nfs/dbraw/zinc/00/76/07/152007607.db2.gz GWQXSCKDXXRHRD-UHFFFAOYSA-N -1 3 331.335 2.264 10 30 EEEEHM Cc1c(C[N-]S(=O)(=O)c2cncc(C#N)c2)oc2ccccc12 ZINC000352255397 153025718 /nfs/dbraw/zinc/02/57/18/153025718.db2.gz FTRGIOTZXCQPPL-UHFFFAOYSA-N -1 3 327.365 2.486 10 30 EEEEHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cs1 ZINC000489245433 270020899 /nfs/dbraw/zinc/02/08/99/270020899.db2.gz AHARPRJLKWWCOS-SNVBAGLBSA-N -1 3 336.442 2.320 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000529981379 270022296 /nfs/dbraw/zinc/02/22/96/270022296.db2.gz FRWJYPXNPPQFHI-QKCCSUDSSA-N -1 3 331.416 2.136 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc2ncccc2c1Cl ZINC000529430541 317591475 /nfs/dbraw/zinc/59/14/75/317591475.db2.gz YGCOUNDIIXOKDT-MRVPVSSYSA-N -1 3 325.777 2.060 10 30 EEEEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc(C#N)c1 ZINC000540102177 318070245 /nfs/dbraw/zinc/07/02/45/318070245.db2.gz VRDCBPIHTLDXKG-UHFFFAOYSA-N -1 3 327.340 2.467 10 30 EEEEHM C[C@]1(C[C@H]2CCCN2c2cc(C#N)c3ccccc3n2)NC(=O)[N-]C1=O ZINC000553634935 318537162 /nfs/dbraw/zinc/53/71/62/318537162.db2.gz FJJODACWUYWFLL-BFUOFWGJSA-N -1 3 349.394 2.063 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1O ZINC000159664091 463299151 /nfs/dbraw/zinc/29/91/51/463299151.db2.gz PLTXHPUAWZERMY-UHFFFAOYSA-N -1 3 336.800 2.438 10 30 EEEEHM C=CCNC(=O)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000055492231 463326025 /nfs/dbraw/zinc/32/60/25/463326025.db2.gz OUGNZXWUQFAXAS-UHFFFAOYSA-N -1 3 325.393 2.496 10 30 EEEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000553867290 468382614 /nfs/dbraw/zinc/38/26/14/468382614.db2.gz VOLQIIXNXZGVAJ-YFKFIEJBSA-N -1 3 341.230 2.398 10 30 EEEEHM CCCC[C@@H](ON=C(C)C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000272556762 464658317 /nfs/dbraw/zinc/65/83/17/464658317.db2.gz BSSVRXMWEGRXCH-MRXNPFEDSA-N -1 3 349.431 2.209 10 30 EEEEHM CCc1cnc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)s1 ZINC000295181613 464736270 /nfs/dbraw/zinc/73/62/70/464736270.db2.gz ICJVRGZSIGBZOC-UHFFFAOYSA-N -1 3 339.417 2.336 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)CCC1 ZINC000354104474 466340872 /nfs/dbraw/zinc/34/08/72/466340872.db2.gz PACASDJLNXMCPQ-AWEZNQCLSA-N -1 3 337.445 2.030 10 30 EEEEHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC000416945206 466754030 /nfs/dbraw/zinc/75/40/30/466754030.db2.gz HKLFLGIGVLJZRZ-UHFFFAOYSA-N -1 3 347.234 2.487 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@](C)(C#N)CSC)c1ccc(F)cc1 ZINC000600668410 468616070 /nfs/dbraw/zinc/61/60/70/468616070.db2.gz MFQCCUJFCROHTI-ZIAGYGMSSA-N -1 3 346.449 2.078 10 30 EEEEHM COCC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(C)o1 ZINC000572080042 468881888 /nfs/dbraw/zinc/88/18/88/468881888.db2.gz DVBCLEFZZMNCPK-CYBMUJFWSA-N -1 3 326.418 2.279 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)OC ZINC000601502688 468898104 /nfs/dbraw/zinc/89/81/04/468898104.db2.gz TVHLVPCDEDHPDG-HNNXBMFYSA-N -1 3 325.430 2.231 10 30 EEEEHM C[C@@]1(C#N)CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000595841483 469036566 /nfs/dbraw/zinc/03/65/66/469036566.db2.gz VFIXTKLNGHYRRV-SFHVURJKSA-N -1 3 334.383 2.257 10 30 EEEEHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593568041 469039479 /nfs/dbraw/zinc/03/94/79/469039479.db2.gz TXHXFFFEPBOIEH-IINYFYTJSA-N -1 3 342.442 2.020 10 30 EEEEHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C#N)ccn2)c1[O-] ZINC000588098370 469115295 /nfs/dbraw/zinc/11/52/95/469115295.db2.gz QIFFXNSMWKPYRB-UHFFFAOYSA-N -1 3 331.715 2.351 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OCC ZINC000599320881 469210063 /nfs/dbraw/zinc/21/00/63/469210063.db2.gz DTTWYDDVUSKWRQ-NSHDSACASA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCOc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1Cl ZINC000665344604 472013501 /nfs/dbraw/zinc/01/35/01/472013501.db2.gz PKDZJHQANKXIII-CXAGYDPISA-N -1 3 337.803 2.438 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCN(c3ncccc3Cl)C2)c1[O-] ZINC000757525327 577859987 /nfs/dbraw/zinc/85/99/87/577859987.db2.gz FVVMDABBAKYKDN-UZGPYCRPSA-N -1 3 346.818 2.334 10 30 EEEEHM Cc1ncc(CO)c(C=Nc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000747707578 577948690 /nfs/dbraw/zinc/94/86/90/577948690.db2.gz LEFYQRJLUUXHKQ-UHFFFAOYSA-N -1 3 327.384 2.175 10 30 EEEEHM C#C[C@@H](NCc1ncc(Br)cc1[O-])C1CCOCC1 ZINC000895436183 684599996 /nfs/dbraw/zinc/59/99/96/684599996.db2.gz PTBXJOFLAWMBNX-GFCCVEGCSA-N -1 3 325.206 2.068 10 30 EEEEHM CCCCCCN([O-])C(=O)Cn1cc(Br)ccc1=O ZINC000904205609 694328358 /nfs/dbraw/zinc/32/83/58/694328358.db2.gz PGKBDFXRYBBGKF-UHFFFAOYSA-N -1 3 331.210 2.409 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 ZINC000904214844 694334248 /nfs/dbraw/zinc/33/42/48/694334248.db2.gz PFPGSGFUDRWSJX-ZDUSSCGKSA-N -1 3 342.436 2.420 10 30 EEEEHM C=CCN(C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1)C(C)C ZINC000897595946 691663253 /nfs/dbraw/zinc/66/32/53/691663253.db2.gz JZISCTRNOVVTHU-CQSZACIVSA-N -1 3 347.463 2.490 10 30 EEEEHM O=C(C#CC1CC1)N[C@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001719589328 1176577283 /nfs/dbraw/zinc/57/72/83/1176577283.db2.gz MEWBTXWTKLRNKB-INIZCTEOSA-N -1 3 340.423 2.307 10 30 EEEEHM C=CCCOCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001487368771 1197386257 /nfs/dbraw/zinc/38/62/57/1197386257.db2.gz OHBCXXMEFQUZPC-CABCVRRESA-N -1 3 346.427 2.142 10 30 EEEEHM N#Cc1ccc(C2(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC001412584650 1205779285 /nfs/dbraw/zinc/77/92/85/1205779285.db2.gz ADTXNLSJOWBOLR-UHFFFAOYSA-N -1 3 334.379 2.279 10 30 EEEEHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867108701 1283267798 /nfs/dbraw/zinc/26/77/98/1283267798.db2.gz ZUDIKZLMBVDEIY-SSDOTTSWSA-N -1 3 330.822 2.315 10 30 EEEEHM CN(C[C@@H]1CCCCN1C(=O)c1ccccc1[O-])C(=O)C#CC1CC1 ZINC001490136941 1290957372 /nfs/dbraw/zinc/95/73/72/1290957372.db2.gz FYGBPMKLCFZBKJ-INIZCTEOSA-N -1 3 340.423 2.259 10 30 EEEEHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001152036576 1316624035 /nfs/dbraw/zinc/62/40/35/1316624035.db2.gz UMNPJVOKHZVVNM-VIFPVBQESA-N -1 3 328.284 2.239 10 30 EEEEHM CCCCCCCCC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001283897524 1326307877 /nfs/dbraw/zinc/30/78/77/1326307877.db2.gz QSALGBOLDIKBOY-AWEZNQCLSA-N -1 3 348.447 2.264 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001287298004 1327467894 /nfs/dbraw/zinc/46/78/94/1327467894.db2.gz RWFFYILGHVHKRT-QWHCGFSZSA-N -1 3 348.447 2.108 10 30 EEEEHM C=CCCC(=O)N(CC)[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001318460716 1332542494 /nfs/dbraw/zinc/54/24/94/1332542494.db2.gz ZUEPBTVUWMYBOY-MRXNPFEDSA-N -1 3 344.459 2.449 10 30 EEEEHM C=CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001333934491 1336176958 /nfs/dbraw/zinc/17/69/58/1336176958.db2.gz LTDFWXATKMYXHT-NEPJUHHUSA-N -1 3 346.431 2.039 10 30 EEEEHM O=C(CC#Cc1ccccc1)NC[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001358611584 1339066995 /nfs/dbraw/zinc/06/69/95/1339066995.db2.gz IJDPJHAFRVOGBA-QGZVFWFLSA-N -1 3 348.402 2.165 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C#N)s3)c2c1=O ZINC001611480993 1352301391 /nfs/dbraw/zinc/30/13/91/1352301391.db2.gz CAEUAINLNFKMCT-UHFFFAOYSA-N -1 3 327.369 2.238 10 30 EEEEHM CCCCN([O-])C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001559035336 1342496341 /nfs/dbraw/zinc/49/63/41/1342496341.db2.gz MMFGISXENDDZPQ-SJKOYZFVSA-N -1 3 339.436 2.141 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C2(C)CCCCCC2)n1 ZINC001656639648 1354255549 /nfs/dbraw/zinc/25/55/49/1354255549.db2.gz MVUSUVYYXDQSFQ-UHFFFAOYSA-N -1 3 344.459 2.272 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@@H](C)CC(C)(C)C)n1 ZINC001656646869 1354256306 /nfs/dbraw/zinc/25/63/06/1354256306.db2.gz LAWUOSZXOZLADM-CQSZACIVSA-N -1 3 346.475 2.374 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCC1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001665328116 1355293309 /nfs/dbraw/zinc/29/33/09/1355293309.db2.gz BHLYOCJSTKNALJ-LJQANCHMSA-N -1 3 344.459 2.210 10 30 EEEEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000588447904 759997575 /nfs/dbraw/zinc/99/75/75/759997575.db2.gz CPUCHUWREXSSLJ-RBJHHQRMSA-N -1 3 338.323 2.323 10 30 EEEEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000588447904 759997578 /nfs/dbraw/zinc/99/75/78/759997578.db2.gz CPUCHUWREXSSLJ-RBJHHQRMSA-N -1 3 338.323 2.323 10 30 EEEEHM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908740947 785680859 /nfs/dbraw/zinc/68/08/59/785680859.db2.gz CCBJOBTYPMOXMV-KBPBESRZSA-N -1 3 339.823 2.184 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000820180313 785825048 /nfs/dbraw/zinc/82/50/48/785825048.db2.gz WUXHSAPQWNYEDI-CQSZACIVSA-N -1 3 337.335 2.215 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095224 785993885 /nfs/dbraw/zinc/99/38/85/785993885.db2.gz UKWMRESRTGEZHD-XIRDDKMYSA-N -1 3 345.443 2.368 10 30 EEEEHM C#CC[C@@H](COC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000913348142 788805005 /nfs/dbraw/zinc/80/50/05/788805005.db2.gz HDZYPIFUZMMDCM-VIFPVBQESA-N -1 3 347.159 2.090 10 30 EEEEHM C#CCN1CCC(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC000923176722 789070825 /nfs/dbraw/zinc/07/08/25/789070825.db2.gz JOLWGIPYVIGVNG-QGZVFWFLSA-N -1 3 334.460 2.119 10 30 EEEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2ccc(C)nc12 ZINC000171036778 791225616 /nfs/dbraw/zinc/22/56/16/791225616.db2.gz CYTKMXCPYHEECT-GFCCVEGCSA-N -1 3 349.350 2.008 10 30 EEEEHM C#CCC1(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC000922052771 798755599 /nfs/dbraw/zinc/75/55/99/798755599.db2.gz DJZMOXHRZBHSNS-UHFFFAOYSA-N -1 3 329.326 2.349 10 30 EEEEHM CC[C@H](C#N)C(=O)Nc1ccc(I)cc1[O-] ZINC001447631617 1103001509 /nfs/dbraw/zinc/00/15/09/1103001509.db2.gz UNWWOMRUUWNRPD-SSDOTTSWSA-N -1 3 330.125 2.485 10 30 EEEEHM C=CCC1(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)CCOCC1 ZINC001455389112 1108520810 /nfs/dbraw/zinc/52/08/10/1108520810.db2.gz QSLJLRBSWRNIHW-UHFFFAOYSA-N -1 3 329.400 2.275 10 30 EEEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)OCC ZINC001464254639 1110390306 /nfs/dbraw/zinc/39/03/06/1110390306.db2.gz HPKXASBHHKJINM-LBPRGKRZSA-N -1 3 349.811 2.487 10 30 EEEEHM Cc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)c(Sc2ccccc2)n1 ZINC001468372802 1110473399 /nfs/dbraw/zinc/47/33/99/1110473399.db2.gz JSZHSSJEOJQCQR-CQSZACIVSA-N -1 3 343.408 2.261 10 30 EEEEHM N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC001479160428 1110661157 /nfs/dbraw/zinc/66/11/57/1110661157.db2.gz ZNNVFRRRUWGCGR-CQSZACIVSA-N -1 3 325.343 2.370 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(C(C)=O)CC1 ZINC001515030776 1118929395 /nfs/dbraw/zinc/92/93/95/1118929395.db2.gz CNAIFXNYUSEZDN-UHFFFAOYSA-N -1 3 349.826 2.098 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(C(C)=O)CC1 ZINC001515030776 1118929399 /nfs/dbraw/zinc/92/93/99/1118929399.db2.gz CNAIFXNYUSEZDN-UHFFFAOYSA-N -1 3 349.826 2.098 10 30 EEEEHM C=CCC1(C(=O)NCCCNC(=O)c2cccc([O-])c2)CCOCC1 ZINC000424730295 241025782 /nfs/dbraw/zinc/02/57/82/241025782.db2.gz CNQUDWNVNUSJNV-UHFFFAOYSA-N -1 3 346.427 2.001 10 30 EEEEHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(N2CCCC2)nn1 ZINC000155118176 224361350 /nfs/dbraw/zinc/36/13/50/224361350.db2.gz IOFQDFNMZAHXSQ-AWEZNQCLSA-N -1 3 335.367 2.038 10 30 EEEEHM CCCCn1cc(C[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C)n1 ZINC000489721326 270021114 /nfs/dbraw/zinc/02/11/14/270021114.db2.gz WPGHSBSMLOZWIZ-UHFFFAOYSA-N -1 3 347.444 2.045 10 30 EEEEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416664832 267258800 /nfs/dbraw/zinc/25/88/00/267258800.db2.gz UBUCWJIINXJJLQ-HNNXBMFYSA-N -1 3 330.413 2.131 10 30 EEEEHM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc21 ZINC000493186048 267340831 /nfs/dbraw/zinc/34/08/31/267340831.db2.gz ZOGURTASZDQQQH-UHFFFAOYSA-N -1 3 331.372 2.490 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)(C#N)CC1 ZINC000356965877 267622821 /nfs/dbraw/zinc/62/28/21/267622821.db2.gz CHUZMFKFEVJAMG-UHFFFAOYSA-N -1 3 326.400 2.361 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)s1 ZINC000528476000 268256969 /nfs/dbraw/zinc/25/69/69/268256969.db2.gz MCHLSIFHRMTIOI-CYBMUJFWSA-N -1 3 339.486 2.305 10 30 EEEEHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000189136227 279133499 /nfs/dbraw/zinc/13/34/99/279133499.db2.gz HGWRWDLOSFYTQM-GFCCVEGCSA-N -1 3 345.415 2.091 10 30 EEEEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000566338393 319276262 /nfs/dbraw/zinc/27/62/62/319276262.db2.gz PRXNHQWWJYISJE-GXFFZTMASA-N -1 3 330.837 2.287 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000341513858 465207388 /nfs/dbraw/zinc/20/73/88/465207388.db2.gz LLXIJRVBEXMIFT-CQSZACIVSA-N -1 3 336.438 2.081 10 30 EEEEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000578899762 468276847 /nfs/dbraw/zinc/27/68/47/468276847.db2.gz WOOJMKJAKDRPOP-GXFFZTMASA-N -1 3 330.837 2.287 10 30 EEEEHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000356570321 465458614 /nfs/dbraw/zinc/45/86/14/465458614.db2.gz ADWBWPPESQCXIT-KRWDZBQOSA-N -1 3 336.363 2.409 10 30 EEEEHM C[C@@H](CC#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000346982810 466296768 /nfs/dbraw/zinc/29/67/68/466296768.db2.gz HCHWPDHLSSIKBG-QMMMGPOBSA-N -1 3 334.173 2.323 10 30 EEEEHM N#C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000362106530 466560298 /nfs/dbraw/zinc/56/02/98/466560298.db2.gz NNAVWJPTWKTGFE-ZDUSSCGKSA-N -1 3 346.184 2.323 10 30 EEEEHM N#CC1(NC(=O)c2ncccc2[O-])CCN(Cc2ccccc2)CC1 ZINC000368739671 466697446 /nfs/dbraw/zinc/69/74/46/466697446.db2.gz JUPBAHGRRNLFNC-UHFFFAOYSA-N -1 3 336.395 2.075 10 30 EEEEHM C=CCN1CC[C@H](N(C)C(=O)c2cc3c(cc2[O-])CCCC3)C1=O ZINC000436498943 467541693 /nfs/dbraw/zinc/54/16/93/467541693.db2.gz XZDGNGSBIHRIMV-INIZCTEOSA-N -1 3 328.412 2.130 10 30 EEEEHM C=C[C@](C)(O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000589399991 468148832 /nfs/dbraw/zinc/14/88/32/468148832.db2.gz KUIDZBINVADOLC-LBPRGKRZSA-N -1 3 347.152 2.262 10 30 EEEEHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594489306 468606905 /nfs/dbraw/zinc/60/69/05/468606905.db2.gz YIJGQKYXNXAAQR-YPMHNXCESA-N -1 3 348.346 2.337 10 30 EEEEHM C[C@]1(c2ccc(-c3noc(CCCCC#N)n3)cc2)NC(=O)[N-]C1=O ZINC000594533050 468616636 /nfs/dbraw/zinc/61/66/36/468616636.db2.gz XMCQLNABCSVVLT-QGZVFWFLSA-N -1 3 339.355 2.028 10 30 EEEEHM Cc1cc(F)ccc1C[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000594800851 468691127 /nfs/dbraw/zinc/69/11/27/468691127.db2.gz IIIFKJAANUDWPC-GFCCVEGCSA-N -1 3 333.388 2.310 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCn3nccc32)c(Cl)c1 ZINC000601540723 468912125 /nfs/dbraw/zinc/91/21/25/468912125.db2.gz QVNTWYVXTBGQHU-GFCCVEGCSA-N -1 3 336.804 2.222 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000598743662 468982609 /nfs/dbraw/zinc/98/26/09/468982609.db2.gz BYWMRIGHHYUPSK-CQSZACIVSA-N -1 3 343.427 2.114 10 30 EEEEHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)n[nH]1 ZINC000593586359 469048312 /nfs/dbraw/zinc/04/83/12/469048312.db2.gz SKBCMYSSXDRRSB-RKDXNWHRSA-N -1 3 339.446 2.291 10 30 EEEEHM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)[nH]1 ZINC000593586359 469048316 /nfs/dbraw/zinc/04/83/16/469048316.db2.gz SKBCMYSSXDRRSB-RKDXNWHRSA-N -1 3 339.446 2.291 10 30 EEEEHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593600171 469053715 /nfs/dbraw/zinc/05/37/15/469053715.db2.gz ARCPDPOHCYBBQB-RYUDHWBXSA-N -1 3 328.459 2.349 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOCC1CCC1 ZINC000613205006 469656505 /nfs/dbraw/zinc/65/65/05/469656505.db2.gz CXJXCDJJEMEPEV-UHFFFAOYSA-N -1 3 331.416 2.141 10 30 EEEEHM C=CCN1CC[C@@H](N(C)C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1=O ZINC000621991326 470144769 /nfs/dbraw/zinc/14/47/69/470144769.db2.gz NQXIPDRYLJXDRP-CYBMUJFWSA-N -1 3 342.317 2.270 10 30 EEEEHM N#CCCCC[C@@H](N)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000655422559 471317765 /nfs/dbraw/zinc/31/77/65/471317765.db2.gz RJVRFKMCICTHKZ-QGZVFWFLSA-N -1 3 343.427 2.225 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(CC)CCC2)ccc1F ZINC000178582627 526665198 /nfs/dbraw/zinc/66/51/98/526665198.db2.gz CDBGLUQJBQDOJI-UHFFFAOYSA-N -1 3 340.420 2.353 10 30 EEEEHM C[C@H](NCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000775155374 577431312 /nfs/dbraw/zinc/43/13/12/577431312.db2.gz KWMPRPDFNAJPSO-KBPBESRZSA-N -1 3 337.427 2.437 10 30 EEEEHM COc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1C#N ZINC000765003156 577492671 /nfs/dbraw/zinc/49/26/71/577492671.db2.gz NAHMPRMNSLPUQU-UHFFFAOYSA-N -1 3 342.351 2.220 10 30 EEEEHM COc1cc(CNCc2ccc(OC)c(C#N)c2)c([N+](=O)[O-])cc1[O-] ZINC000746743158 577933353 /nfs/dbraw/zinc/93/33/53/577933353.db2.gz WMEHJIQGOXYVGX-UHFFFAOYSA-N -1 3 343.339 2.479 10 30 EEEEHM C=CCC1(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001691126714 1177615721 /nfs/dbraw/zinc/61/57/21/1177615721.db2.gz VXFGHANVJDEMKE-OKILXGFUSA-N -1 3 347.463 2.021 10 30 EEEEHM C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001691297885 1177851386 /nfs/dbraw/zinc/85/13/86/1177851386.db2.gz MRVLLUQQXPDYLO-ZIAGYGMSSA-N -1 3 349.479 2.219 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC2(CSC2)C1 ZINC000871513811 1197759628 /nfs/dbraw/zinc/75/96/28/1197759628.db2.gz DMIVVNHQJFLACY-UHFFFAOYSA-N -1 3 331.441 2.220 10 30 EEEEHM C#CCC1(O)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000882527779 1201890137 /nfs/dbraw/zinc/89/01/37/1201890137.db2.gz JAQASWJILGNIJZ-UHFFFAOYSA-N -1 3 327.302 2.401 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc2cccc(Br)c21 ZINC001159331425 1278106532 /nfs/dbraw/zinc/10/65/32/1278106532.db2.gz HFUDHYCYHRAUHO-LBPRGKRZSA-N -1 3 349.184 2.322 10 30 EEEEHM C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001490791474 1291735473 /nfs/dbraw/zinc/73/54/73/1291735473.db2.gz RVSYQLUKLPGFIQ-GASCZTMLSA-N -1 3 332.448 2.459 10 30 EEEEHM C#CCCCC(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001280956814 1324671349 /nfs/dbraw/zinc/67/13/49/1324671349.db2.gz MNZBPDDJXWALDX-MRXNPFEDSA-N -1 3 328.412 2.163 10 30 EEEEHM C=C(C)CCC(=O)N(C)CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC001284549979 1326607000 /nfs/dbraw/zinc/60/70/00/1326607000.db2.gz WANQZDWIIGPOIV-UHFFFAOYSA-N -1 3 341.411 2.073 10 30 EEEEHM C[C@@H](NC(=O)C#CC(C)(C)C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001286193911 1327333578 /nfs/dbraw/zinc/33/35/78/1327333578.db2.gz CDWPBHQYRNVTQG-CYBMUJFWSA-N -1 3 328.412 2.018 10 30 EEEEHM C=CCOCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC001287924814 1327566314 /nfs/dbraw/zinc/56/63/14/1327566314.db2.gz XFPNNYXXTMVCPT-HUUCEWRRSA-N -1 3 346.427 2.094 10 30 EEEEHM O=C(CC#Cc1ccccc1)N1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001298981788 1330142643 /nfs/dbraw/zinc/14/26/43/1330142643.db2.gz CYQJBSBGQSUUPD-QGZVFWFLSA-N -1 3 348.402 2.165 10 30 EEEEHM C=CCO[C@H]1CCN(c2c(C(=O)[O-])cnc3cc4c(cc32)OCO4)C1 ZINC001326420667 1334090500 /nfs/dbraw/zinc/09/05/00/1334090500.db2.gz GLAKUNNKKIVPNZ-NSHDSACASA-N -1 3 342.351 2.443 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC=C(COC)CC1 ZINC001355977218 1338777173 /nfs/dbraw/zinc/77/71/73/1338777173.db2.gz PZKRNSRFOSHSPG-UHFFFAOYSA-N -1 3 349.826 2.076 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC=C(COC)CC1 ZINC001355977218 1338777175 /nfs/dbraw/zinc/77/71/75/1338777175.db2.gz PZKRNSRFOSHSPG-UHFFFAOYSA-N -1 3 349.826 2.076 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(=O)OCC ZINC001561876516 1342532141 /nfs/dbraw/zinc/53/21/41/1342532141.db2.gz UCZRNJBSPYARNG-NPCAHTBFSA-N -1 3 329.462 2.384 10 30 EEEEHM C#CCCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572031818 1343364839 /nfs/dbraw/zinc/36/48/39/1343364839.db2.gz RWDZAZDVKRQHRV-CABCVRRESA-N -1 3 328.412 2.353 10 30 EEEEHM C#CCCCC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572419012 1343486383 /nfs/dbraw/zinc/48/63/83/1343486383.db2.gz RIKVSUMGHWLVMY-YLJYHZDGSA-N -1 3 340.423 2.449 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000816696820 784203583 /nfs/dbraw/zinc/20/35/83/784203583.db2.gz ITFMCTWEUFKRTN-INIZCTEOSA-N -1 3 348.362 2.017 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908819630 785755412 /nfs/dbraw/zinc/75/54/12/785755412.db2.gz GXCYTPIKZOXIIV-QGZVFWFLSA-N -1 3 345.443 2.153 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc(COc2cccc(F)c2)c1 ZINC000820174154 785821826 /nfs/dbraw/zinc/82/18/26/785821826.db2.gz GUUSWLKBWTYBPX-INIZCTEOSA-N -1 3 344.342 2.125 10 30 EEEEHM C/C(=C\C(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820179533 785824828 /nfs/dbraw/zinc/82/48/28/785824828.db2.gz MDPRZRJSRDYZIO-YPUOHESYSA-N -1 3 328.290 2.215 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000909000503 785929627 /nfs/dbraw/zinc/92/96/27/785929627.db2.gz KKXJZKACZQKSJP-PVAVHDDUSA-N -1 3 345.443 2.368 10 30 EEEEHM C=CCNc1ncc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)s1 ZINC000913695959 794128686 /nfs/dbraw/zinc/12/86/86/794128686.db2.gz WFWSVOJSADKYRD-UHFFFAOYSA-N -1 3 345.428 2.434 10 30 EEEEHM N#Cc1ccc(CSCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000826779512 800423179 /nfs/dbraw/zinc/42/31/79/800423179.db2.gz WMUTWMVMZWRQCC-AWEZNQCLSA-N -1 3 342.424 2.236 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000790100876 808410559 /nfs/dbraw/zinc/41/05/59/808410559.db2.gz ZZCNKCBWWXCAPT-FULVDIRDSA-N -1 3 328.416 2.342 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCO[C@H]2C(=C)C)c1 ZINC001528382770 1121002430 /nfs/dbraw/zinc/00/24/30/1121002430.db2.gz FLHWFYGARRDKAA-PXAZEXFGSA-N -1 3 330.384 2.228 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001533050540 1123046199 /nfs/dbraw/zinc/04/61/99/1123046199.db2.gz KTFJKPCUPUHMIG-WBVHZDCISA-N -1 3 340.423 2.115 10 30 EEEEHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)CC1(CC#N)CC1 ZINC000451388015 243097727 /nfs/dbraw/zinc/09/77/27/243097727.db2.gz AFOMANJCUBDFFS-CYBMUJFWSA-N -1 3 344.477 2.358 10 30 EEEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000451740300 243238857 /nfs/dbraw/zinc/23/88/57/243238857.db2.gz ZXQDAYQUPNJXQB-ONGXEEELSA-N -1 3 344.234 2.205 10 30 EEEEHM CCc1noc(C)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000132764695 292404755 /nfs/dbraw/zinc/40/47/55/292404755.db2.gz APDPLTKDLGBZHY-UHFFFAOYSA-N -1 3 328.372 2.294 10 30 EEEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCCCF ZINC000416483092 270019854 /nfs/dbraw/zinc/01/98/54/270019854.db2.gz IRORBUAQFBMCAK-UHFFFAOYSA-N -1 3 335.198 2.349 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c(F)c1 ZINC000563597189 319028063 /nfs/dbraw/zinc/02/80/63/319028063.db2.gz VZVANKQVNRZGJA-UHFFFAOYSA-N -1 3 326.393 2.182 10 30 EEEEHM C[C@H](F)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000339035835 465041149 /nfs/dbraw/zinc/04/11/49/465041149.db2.gz YMPFWPJJNWKDRD-QMMMGPOBSA-N -1 3 335.198 2.347 10 30 EEEEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000578899761 468277335 /nfs/dbraw/zinc/27/73/35/468277335.db2.gz WOOJMKJAKDRPOP-GWCFXTLKSA-N -1 3 330.837 2.287 10 30 EEEEHM N#Cc1cccc(OCC(=O)Nc2ccc(Br)[n-]c2=O)c1 ZINC000170611635 463684150 /nfs/dbraw/zinc/68/41/50/463684150.db2.gz YGEWTSFVDPBIGJ-UHFFFAOYSA-N -1 3 348.156 2.439 10 30 EEEEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCC#N)c(Cl)c1 ZINC000171713748 463912157 /nfs/dbraw/zinc/91/21/57/463912157.db2.gz AHQRHVLMRXYIGF-UHFFFAOYSA-N -1 3 330.793 2.099 10 30 EEEEHM N#Cc1ccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000186753313 464062446 /nfs/dbraw/zinc/06/24/46/464062446.db2.gz ACAVVTJDGHQTGH-UHFFFAOYSA-N -1 3 344.378 2.086 10 30 EEEEHM N#Cc1ccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000186753313 464062455 /nfs/dbraw/zinc/06/24/55/464062455.db2.gz ACAVVTJDGHQTGH-UHFFFAOYSA-N -1 3 344.378 2.086 10 30 EEEEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000276167121 464831375 /nfs/dbraw/zinc/83/13/75/464831375.db2.gz SPTMGPBHZKINBO-DTWKUNHWSA-N -1 3 336.335 2.279 10 30 EEEEHM C=CCCOCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000343825252 465557711 /nfs/dbraw/zinc/55/77/11/465557711.db2.gz DEMJCJXKGAELEU-UHFFFAOYSA-N -1 3 328.206 2.406 10 30 EEEEHM C=C(C)CN1CCC(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424405994 467042622 /nfs/dbraw/zinc/04/26/22/467042622.db2.gz IQCBGWIMMNBIIQ-CQSZACIVSA-N -1 3 325.453 2.073 10 30 EEEEHM N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000452562316 467392205 /nfs/dbraw/zinc/39/22/05/467392205.db2.gz PDDPFGIACJGRDT-DZKIICNBSA-N -1 3 341.411 2.195 10 30 EEEEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000420736302 467468632 /nfs/dbraw/zinc/46/86/32/467468632.db2.gz YCUSJGSAPCLINU-STQMWFEESA-N -1 3 328.821 2.448 10 30 EEEEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447503270 467587889 /nfs/dbraw/zinc/58/78/89/467587889.db2.gz AOICAHBALUXJLW-UHFFFAOYSA-N -1 3 344.334 2.817 10 30 EEEEHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000556335261 468522538 /nfs/dbraw/zinc/52/25/38/468522538.db2.gz LIPGIXRJEQANTM-ZFWWWQNUSA-N -1 3 340.420 2.427 10 30 EEEEHM CC(C)(C#N)CCS(=O)(=O)c1nnc([N-]c2ccccc2)s1 ZINC000559984421 468761670 /nfs/dbraw/zinc/76/16/70/468761670.db2.gz ICWWCJDDDPRYPB-UHFFFAOYSA-N -1 3 336.442 2.995 10 30 EEEEHM CN(CC[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593535805 469023117 /nfs/dbraw/zinc/02/31/17/469023117.db2.gz PUPAZPUIPVWEDJ-UHFFFAOYSA-N -1 3 335.454 2.030 10 30 EEEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccccc1 ZINC000593572038 469042108 /nfs/dbraw/zinc/04/21/08/469042108.db2.gz ZNQMITGAAIULQC-XJKSGUPXSA-N -1 3 347.465 2.343 10 30 EEEEHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1(C)C ZINC000593577139 469043811 /nfs/dbraw/zinc/04/38/11/469043811.db2.gz AWUWYWUCYMBAHE-OLZOCXBDSA-N -1 3 328.459 2.490 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000593600608 469053082 /nfs/dbraw/zinc/05/30/82/469053082.db2.gz HCEIVIGJIMFAJD-NSHDSACASA-N -1 3 326.443 2.247 10 30 EEEEHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593601557 469054959 /nfs/dbraw/zinc/05/49/59/469054959.db2.gz WBZJXTAKTXCQOF-UHFFFAOYSA-N -1 3 330.431 2.020 10 30 EEEEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000601964323 469115629 /nfs/dbraw/zinc/11/56/29/469115629.db2.gz YWFVUDDGVLMPHO-NSHDSACASA-N -1 3 338.355 2.046 10 30 EEEEHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000618715818 469430070 /nfs/dbraw/zinc/43/00/70/469430070.db2.gz KCUOYLFOLIXDJD-GFCCVEGCSA-N -1 3 349.393 2.494 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000633964634 470652200 /nfs/dbraw/zinc/65/22/00/470652200.db2.gz QBBSLWOQRQKYIU-LJQANCHMSA-N -1 3 343.427 2.463 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000633964369 470652602 /nfs/dbraw/zinc/65/26/02/470652602.db2.gz MPFCCBVVFHIRJC-UHFFFAOYSA-N -1 3 328.434 2.218 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000679475508 485707319 /nfs/dbraw/zinc/70/73/19/485707319.db2.gz UVJNTBURZNGHOV-UHFFFAOYSA-N -1 3 338.198 2.069 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)c1 ZINC000765589931 577503611 /nfs/dbraw/zinc/50/36/11/577503611.db2.gz KUSDUIKNAWNLQR-INIZCTEOSA-N -1 3 339.351 2.198 10 30 EEEEHM Cc1ncc(CO)c(/C=N/CC[C@H]2COc3ccccc3O2)c1[O-] ZINC000764413323 577735499 /nfs/dbraw/zinc/73/54/99/577735499.db2.gz IAHFNINGLNPQHK-FRSZACSASA-N -1 3 328.368 2.237 10 30 EEEEHM C=C(C)[C@H](CC(=O)OCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)OCC ZINC000756468573 577844633 /nfs/dbraw/zinc/84/46/33/577844633.db2.gz BUGBXFWZUVIMKF-HIFRSBDPSA-N -1 3 349.431 2.129 10 30 EEEEHM C#CCC1(C(=O)N[C@H](CC)CNC(=O)c2ccccc2[O-])CCC1 ZINC001746114928 1187440682 /nfs/dbraw/zinc/44/06/82/1187440682.db2.gz XMAHGLKQMVOWGV-CQSZACIVSA-N -1 3 328.412 2.210 10 30 EEEEHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000811186058 1199916176 /nfs/dbraw/zinc/91/61/76/1199916176.db2.gz AMNLWXZMTVYBGW-UHFFFAOYSA-N -1 3 332.262 2.338 10 30 EEEEHM C=CCN(Cc1ccc(OC)cc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000877983951 1200199195 /nfs/dbraw/zinc/19/91/95/1200199195.db2.gz XKNQUSCWKPZNJS-UHFFFAOYSA-N -1 3 341.411 2.452 10 30 EEEEHM N#Cc1ccc2c(c1)CCC[C@@H]2NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866629705 1201564185 /nfs/dbraw/zinc/56/41/85/1201564185.db2.gz QQJMPBPVTZYEQU-INIZCTEOSA-N -1 3 336.395 2.294 10 30 EEEEHM Cc1nc2cccc(Cl)c2cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000868563901 1201835908 /nfs/dbraw/zinc/83/59/08/1201835908.db2.gz XNFQUZSFVXMBLN-CQSZACIVSA-N -1 3 333.775 2.307 10 30 EEEEHM N#Cc1c[n-]n2c1nc(CN1CC[C@@H](c3cccc(F)c3)C1)cc2=O ZINC001193914509 1282784666 /nfs/dbraw/zinc/78/46/66/1282784666.db2.gz VCQMXEJIHIBLDP-CYBMUJFWSA-N -1 3 337.358 2.435 10 30 EEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000859427529 1294436330 /nfs/dbraw/zinc/43/63/30/1294436330.db2.gz GIJGFYISBVCODZ-LBPRGKRZSA-N -1 3 325.361 2.197 10 30 EEEEHM C=CC[C@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001123895120 1310752357 /nfs/dbraw/zinc/75/23/57/1310752357.db2.gz OKOHBEVQAIMPFY-INIZCTEOSA-N -1 3 325.416 2.341 10 30 EEEEHM C=CC[C@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001123895120 1310752364 /nfs/dbraw/zinc/75/23/64/1310752364.db2.gz OKOHBEVQAIMPFY-INIZCTEOSA-N -1 3 325.416 2.341 10 30 EEEEHM C=CCn1cc(C(=O)Nc2c(C)c(Br)ccc2[O-])nn1 ZINC001159551011 1319879325 /nfs/dbraw/zinc/87/93/25/1319879325.db2.gz FFKAMOVIOSYXMH-UHFFFAOYSA-N -1 3 337.177 2.493 10 30 EEEEHM C=CCCC(=O)N[C@H](CNC(=O)c1cccc2n[n-]nc21)CC(C)C ZINC001746680463 1321447627 /nfs/dbraw/zinc/44/76/27/1321447627.db2.gz FKGRSNJNMURQQF-ZDUSSCGKSA-N -1 3 343.431 2.185 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC=C)C1 ZINC001262988494 1322417153 /nfs/dbraw/zinc/41/71/53/1322417153.db2.gz UGWUBGFCLUEMMI-AWEZNQCLSA-N -1 3 338.415 2.175 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCOC2(CCCC2)C1 ZINC001262990874 1322417958 /nfs/dbraw/zinc/41/79/58/1322417958.db2.gz RHUNTZUHBXCMLJ-UHFFFAOYSA-N -1 3 349.826 2.052 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCOC2(CCCC2)C1 ZINC001262990874 1322417962 /nfs/dbraw/zinc/41/79/62/1322417962.db2.gz RHUNTZUHBXCMLJ-UHFFFAOYSA-N -1 3 349.826 2.052 10 30 EEEEHM C=CC1(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H]2C)CCCCC1 ZINC001281144122 1324790718 /nfs/dbraw/zinc/79/07/18/1324790718.db2.gz DIJMXIWLQRPFTC-KBPBESRZSA-N -1 3 345.447 2.051 10 30 EEEEHM C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001281213094 1324882072 /nfs/dbraw/zinc/88/20/72/1324882072.db2.gz BWCWNLWWEUBLIU-GOEBONIOSA-N -1 3 346.427 2.094 10 30 EEEEHM C[C@H](CCCNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001286900661 1327437131 /nfs/dbraw/zinc/43/71/31/1327437131.db2.gz KPHSFAWXBYUZRY-CQSZACIVSA-N -1 3 330.428 2.456 10 30 EEEEHM C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H]1C ZINC001287879412 1327555464 /nfs/dbraw/zinc/55/54/64/1327555464.db2.gz DHSQHAUKJGYMRS-GXTWGEPZSA-N -1 3 341.415 2.033 10 30 EEEEHM C#CCCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001292034777 1328355605 /nfs/dbraw/zinc/35/56/05/1328355605.db2.gz NEUGASIJAXGKBP-OIISXLGYSA-N -1 3 340.423 2.448 10 30 EEEEHM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCN(CC)CC1 ZINC001351922375 1337867797 /nfs/dbraw/zinc/86/77/97/1337867797.db2.gz ZPEFMEVBTFNSBM-UHFFFAOYSA-N -1 3 348.838 2.027 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C#N)cc3F)c2c1=O ZINC001611487054 1352301666 /nfs/dbraw/zinc/30/16/66/1352301666.db2.gz KDVOTGBLAWKAAF-UHFFFAOYSA-N -1 3 339.330 2.316 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001433581270 1341632000 /nfs/dbraw/zinc/63/20/00/1341632000.db2.gz ZXKYOVIBJNNQEA-VXGBXAGGSA-N -1 3 331.416 2.234 10 30 EEEEHM C=CCC1(C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001656390946 1354226563 /nfs/dbraw/zinc/22/65/63/1354226563.db2.gz YOQIYZIIIFSQBF-UONOGXRCSA-N -1 3 347.463 2.021 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC001662896082 1354873819 /nfs/dbraw/zinc/87/38/19/1354873819.db2.gz VBIUDYRKZKICHJ-UONOGXRCSA-N -1 3 348.449 2.269 10 30 EEEEHM C#CCOCC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001668231007 1355905128 /nfs/dbraw/zinc/90/51/28/1355905128.db2.gz UPRKVISVLSYWDV-UHFFFAOYSA-N -1 3 336.438 2.047 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001684060641 1358217667 /nfs/dbraw/zinc/21/76/67/1358217667.db2.gz OGZPYBADEDIYOE-LSDHHAIUSA-N -1 3 346.427 2.046 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)OC ZINC000921383322 773319142 /nfs/dbraw/zinc/31/91/42/773319142.db2.gz UJGGXIQAMQFMQV-LLVKDONJSA-N -1 3 346.836 2.220 10 30 EEEEHM C=C(C)CN1CCC(NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000908946948 785869623 /nfs/dbraw/zinc/86/96/23/785869623.db2.gz YDFYYNUWOZXART-OAHLLOKOSA-N -1 3 325.453 2.168 10 30 EEEEHM C=C(C)C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908997361 785926767 /nfs/dbraw/zinc/92/67/67/785926767.db2.gz KCIPNVNOPDVYCD-IRXDYDNUSA-N -1 3 345.443 2.370 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000909067183 785979806 /nfs/dbraw/zinc/97/98/06/785979806.db2.gz JARKUIFOSMGSKU-HYVNUMGLSA-N -1 3 345.443 2.226 10 30 EEEEHM Cc1cc(=O)[n-]c(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC001144555636 789936178 /nfs/dbraw/zinc/93/61/78/789936178.db2.gz LJMDUVCAMQAJBR-UHFFFAOYSA-N -1 3 335.285 2.177 10 30 EEEEHM C[C@@H](NC(=O)c1ccc(C#N)cc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001456401318 1109166820 /nfs/dbraw/zinc/16/68/20/1109166820.db2.gz SSLAHBMHGSJERM-ZCFIWIBFSA-N -1 3 327.241 2.325 10 30 EEEEHM O=C(c1cn(Cc2ccccn2)nn1)N([O-])Cc1ccccc1Cl ZINC001457993884 1109820683 /nfs/dbraw/zinc/82/06/83/1109820683.db2.gz NOPIYIJNCLICLZ-UHFFFAOYSA-N -1 3 343.774 2.406 10 30 EEEEHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001464471896 1110394780 /nfs/dbraw/zinc/39/47/80/1110394780.db2.gz MNPVNHLAMVCAKM-UHFFFAOYSA-N -1 3 338.367 2.249 10 30 EEEEHM C=CCO[C@@H]1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC(=C)C)C1 ZINC001515032259 1118929613 /nfs/dbraw/zinc/92/96/13/1118929613.db2.gz TWOWEXADMCXDAR-LLVKDONJSA-N -1 3 349.826 2.074 10 30 EEEEHM C=CCO[C@@H]1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC(=C)C)C1 ZINC001515032259 1118929616 /nfs/dbraw/zinc/92/96/16/1118929616.db2.gz TWOWEXADMCXDAR-LLVKDONJSA-N -1 3 349.826 2.074 10 30 EEEEHM C=CCOCCCC(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001523076524 1119625259 /nfs/dbraw/zinc/62/52/59/1119625259.db2.gz WMOQLROZYKRNHA-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM C=CCCCC(=O)N1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001523323410 1119753202 /nfs/dbraw/zinc/75/32/02/1119753202.db2.gz ZWGSXHVBFMGDQC-ZDUSSCGKSA-N -1 3 341.415 2.035 10 30 EEEEHM C=C1CC(C)(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001524339398 1120066253 /nfs/dbraw/zinc/06/62/53/1120066253.db2.gz NCUNTVAHNOTZOO-HNNXBMFYSA-N -1 3 328.412 2.373 10 30 EEEEHM Cc1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c([O-])c1O ZINC001568798324 1124811472 /nfs/dbraw/zinc/81/14/72/1124811472.db2.gz QUOFJUQHJNXKPC-UHFFFAOYSA-N -1 3 349.350 2.298 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000065516877 214942211 /nfs/dbraw/zinc/94/22/11/214942211.db2.gz WNDFLPGRYVQLKZ-WMZOPIPTSA-N -1 3 335.407 2.468 10 30 EEEEHM Cc1ncc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1 ZINC000360236206 164264554 /nfs/dbraw/zinc/26/45/54/164264554.db2.gz ZMZROMXKXIHWHT-UHFFFAOYSA-N -1 3 325.390 2.082 10 30 EEEEHM N#Cc1cc(S(=O)(=O)[N-]CCSC(F)(F)F)ccc1F ZINC000171419622 227070603 /nfs/dbraw/zinc/07/06/03/227070603.db2.gz GVMFBYPLGKNCHZ-UHFFFAOYSA-N -1 3 328.312 2.229 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000416649813 268182605 /nfs/dbraw/zinc/18/26/05/268182605.db2.gz JIYBPNIGNVEZJP-GXFFZTMASA-N -1 3 328.821 2.041 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1F ZINC000292277616 268329807 /nfs/dbraw/zinc/32/98/07/268329807.db2.gz LMCOVXYMLAHDTD-UHFFFAOYSA-N -1 3 331.372 2.448 10 30 EEEEHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000558682453 318724922 /nfs/dbraw/zinc/72/49/22/318724922.db2.gz AKOHQDIMXSVCBY-UHFFFAOYSA-N -1 3 336.335 2.434 10 30 EEEEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000569699971 319600787 /nfs/dbraw/zinc/60/07/87/319600787.db2.gz FGBGYCWIHNTIPG-GWCFXTLKSA-N -1 3 330.837 2.287 10 30 EEEEHM COc1ccc(C([O-])=C(C#N)c2nnc(-c3ccccc3)n2C)cn1 ZINC000066548381 462903012 /nfs/dbraw/zinc/90/30/12/462903012.db2.gz IRSUOQRNAPMLDS-CQSZACIVSA-N -1 3 333.351 2.376 10 30 EEEEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC000590755947 468329109 /nfs/dbraw/zinc/32/91/09/468329109.db2.gz LPCCGDHWFLYIAK-OAHLLOKOSA-N -1 3 343.408 2.318 10 30 EEEEHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000120895890 463051862 /nfs/dbraw/zinc/05/18/62/463051862.db2.gz SBGNNRCUKCNTKP-UHFFFAOYSA-N -1 3 337.279 2.194 10 30 EEEEHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)C#N ZINC000543638553 468394531 /nfs/dbraw/zinc/39/45/31/468394531.db2.gz WZETXNAJEWOJAR-UHFFFAOYSA-N -1 3 338.410 2.268 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1c(C)noc1C ZINC000331117220 465940041 /nfs/dbraw/zinc/94/00/41/465940041.db2.gz FAUFTHBGAODVIX-AWEZNQCLSA-N -1 3 334.401 2.296 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000338295685 465991923 /nfs/dbraw/zinc/99/19/23/465991923.db2.gz JZDLFARCIBOZLX-NSHDSACASA-N -1 3 326.400 2.359 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000528545705 467699635 /nfs/dbraw/zinc/69/96/35/467699635.db2.gz DCBDQRNCRIGDCQ-PUXPGTEJSA-N -1 3 328.821 2.302 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)CC2(C#N)CCOCC2)c([O-])c1 ZINC000597442669 468557286 /nfs/dbraw/zinc/55/72/86/468557286.db2.gz WXSYWPZXKZVIFB-UHFFFAOYSA-N -1 3 332.356 2.218 10 30 EEEEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)nc1=N ZINC000570100294 468589865 /nfs/dbraw/zinc/58/98/65/468589865.db2.gz MHYSVXCYXSERRQ-AWEZNQCLSA-N -1 3 338.415 2.006 10 30 EEEEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000595391562 468836096 /nfs/dbraw/zinc/83/60/96/468836096.db2.gz GFKVSNCDYUKSIV-NSHDSACASA-N -1 3 328.821 2.305 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000593542997 469025674 /nfs/dbraw/zinc/02/56/74/469025674.db2.gz YCTKZFABIRTSSK-NSHDSACASA-N -1 3 334.422 2.464 10 30 EEEEHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000593542101 469026268 /nfs/dbraw/zinc/02/62/68/469026268.db2.gz RUGYLLJMYLGNST-UHFFFAOYSA-N -1 3 327.456 2.214 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000684916210 486035385 /nfs/dbraw/zinc/03/53/85/486035385.db2.gz OUCQEUAUFFGLHQ-UHFFFAOYSA-N -1 3 338.198 2.069 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2)CCCC1 ZINC000349774834 534562087 /nfs/dbraw/zinc/56/20/87/534562087.db2.gz JQJOENWZJQCRRE-AWEZNQCLSA-N -1 3 342.848 2.377 10 30 EEEEHM N#C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1C1CC1 ZINC000732679308 577188316 /nfs/dbraw/zinc/18/83/16/577188316.db2.gz XHQNWKWCUFZLKG-MRXNPFEDSA-N -1 3 325.412 2.083 10 30 EEEEHM C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000747886809 577951939 /nfs/dbraw/zinc/95/19/39/577951939.db2.gz RMAPLDVGUXUZBZ-UHFFFAOYSA-N -1 3 337.228 2.073 10 30 EEEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cnc2ccccc2n1 ZINC000125114059 686919312 /nfs/dbraw/zinc/91/93/12/686919312.db2.gz LXPYGVKQFGEEGJ-VFNNOXKTSA-N -1 3 343.346 2.386 10 30 EEEEHM O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904186042 694315383 /nfs/dbraw/zinc/31/53/83/694315383.db2.gz ONHVJLTXUPHYEM-MGPQQGTHSA-N -1 3 342.395 2.327 10 30 EEEEHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904187323 694315888 /nfs/dbraw/zinc/31/58/88/694315888.db2.gz IZFHKKDEFSRYBN-IPOQPSJVSA-N -1 3 342.395 2.183 10 30 EEEEHM C=CCC1(C(=O)N[C@H]2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001268294207 1182188467 /nfs/dbraw/zinc/18/84/67/1182188467.db2.gz LSLWVWPFMHYEKZ-KGLIPLIRSA-N -1 3 347.463 2.021 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C#N)C1CCCC1 ZINC001133070258 1200396900 /nfs/dbraw/zinc/39/69/00/1200396900.db2.gz RNAAYHIZLYLAHB-MRXNPFEDSA-N -1 3 326.400 2.407 10 30 EEEEHM CO[C@H]1CC[C@@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000870706102 1200825962 /nfs/dbraw/zinc/82/59/62/1200825962.db2.gz MUCVFHNCLUNLMW-RISCZKNCSA-N -1 3 331.416 2.234 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OC ZINC000867623118 1201646350 /nfs/dbraw/zinc/64/63/50/1201646350.db2.gz BZBKMNDCMKCYBQ-CKXPSTMWSA-N -1 3 327.377 2.224 10 30 EEEEHM CC(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1[O-] ZINC000887772480 1204448031 /nfs/dbraw/zinc/44/80/31/1204448031.db2.gz PPOBJAMLNXYOAG-UHFFFAOYSA-N -1 3 329.352 2.073 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000867304992 1285555469 /nfs/dbraw/zinc/55/54/69/1285555469.db2.gz STYPPWUXVLUGIP-HNNXBMFYSA-N -1 3 330.413 2.499 10 30 EEEEHM C=C1CC(C)(C(=O)NCCCOCCNC(=O)c2ccccc2[O-])C1 ZINC001487619507 1286204762 /nfs/dbraw/zinc/20/47/62/1286204762.db2.gz ZSPZVROPEQDSKA-UHFFFAOYSA-N -1 3 346.427 2.001 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](OC)CC[C@@H]1C ZINC001122585201 1310340481 /nfs/dbraw/zinc/34/04/81/1310340481.db2.gz AVEVJGLGEJYVPC-RYUDHWBXSA-N -1 3 333.392 2.219 10 30 EEEEHM C=CCO[N-]C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC001140876175 1314979226 /nfs/dbraw/zinc/97/92/26/1314979226.db2.gz SUXNEGWPOJAKEG-UHFFFAOYSA-N -1 3 338.363 2.450 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001285787853 1327153202 /nfs/dbraw/zinc/15/32/02/1327153202.db2.gz IYCCUKOACMWCTP-DOTOQJQBSA-N -1 3 342.439 2.456 10 30 EEEEHM C#CCCCC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339739127 1337064422 /nfs/dbraw/zinc/06/44/22/1337064422.db2.gz QCWUSTQWXPZDBS-JKSUJKDBSA-N -1 3 342.439 2.410 10 30 EEEEHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001570082216 1343010576 /nfs/dbraw/zinc/01/05/76/1343010576.db2.gz ZIGQXJVFAOQJJJ-CYBMUJFWSA-N -1 3 338.758 2.019 10 30 EEEEHM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001570082216 1343010578 /nfs/dbraw/zinc/01/05/78/1343010578.db2.gz ZIGQXJVFAOQJJJ-CYBMUJFWSA-N -1 3 338.758 2.019 10 30 EEEEHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc[nH]c2CC)C1=O ZINC001639890896 1352702933 /nfs/dbraw/zinc/70/29/33/1352702933.db2.gz ZAQQKDCKFQRNQR-QGZVFWFLSA-N -1 3 349.435 2.288 10 30 EEEEHM Cc1cc(C#N)cc(C)c1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001654221004 1354144381 /nfs/dbraw/zinc/14/43/81/1354144381.db2.gz WLAJYKIFQWFUCM-UHFFFAOYSA-N -1 3 337.379 2.041 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H](C)C(=O)OCc2ccccc2)c1[O-] ZINC000846755542 790499026 /nfs/dbraw/zinc/49/90/26/790499026.db2.gz BRGVWDQKMWXKEC-CCSWUNFSSA-N -1 3 328.368 2.139 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000823207311 787621761 /nfs/dbraw/zinc/62/17/61/787621761.db2.gz RIAWGLPPUVOJTN-VFZGTOFNSA-N -1 3 334.322 2.127 10 30 EEEEHM C=CCOCCCC(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001497056579 1101903335 /nfs/dbraw/zinc/90/33/35/1101903335.db2.gz GJEHBTRYIISZSG-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c[n-]c2ccccc2c1=O ZINC001452948021 1105806473 /nfs/dbraw/zinc/80/64/73/1105806473.db2.gz OOXALYIFFFUGCC-GOSISDBHSA-N -1 3 347.374 2.205 10 30 EEEEHM C=CCCC(=O)N[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001507369637 1115228791 /nfs/dbraw/zinc/22/87/91/1115228791.db2.gz RIDDMSHOKJJRJZ-CJNGLKHVSA-N -1 3 344.459 2.495 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001524188931 1120000680 /nfs/dbraw/zinc/00/06/80/1120000680.db2.gz IECWEVCAWKILLV-QGZVFWFLSA-N -1 3 345.403 2.222 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000360596777 164347390 /nfs/dbraw/zinc/34/73/90/164347390.db2.gz JHLSTNHWOLYHRP-UHFFFAOYSA-N -1 3 344.371 2.095 10 30 EEEEHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331082214 267211655 /nfs/dbraw/zinc/21/16/55/267211655.db2.gz ZLWJLWHCKYRSJR-LBPRGKRZSA-N -1 3 341.864 2.364 10 30 EEEEHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451958890 281294784 /nfs/dbraw/zinc/29/47/84/281294784.db2.gz AHSCBASBLQRIGP-GFCCVEGCSA-N -1 3 348.346 2.280 10 30 EEEEHM C=CC[C@H](CO)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000337248962 465267040 /nfs/dbraw/zinc/26/70/40/465267040.db2.gz LGXBEKGMKDMSNX-CQSZACIVSA-N -1 3 328.372 2.216 10 30 EEEEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000295653506 464917785 /nfs/dbraw/zinc/91/77/85/464917785.db2.gz FQVBUSPSMUFBAC-QWRGUYRKSA-N -1 3 342.442 2.204 10 30 EEEEHM N#Cc1cccnc1-n1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)cn1 ZINC000373413071 466794755 /nfs/dbraw/zinc/79/47/55/466794755.db2.gz OVNZKRZREYRPGV-UHFFFAOYSA-N -1 3 345.322 2.374 10 30 EEEEHM N#Cc1cccnc1-n1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)cn1 ZINC000373413071 466794760 /nfs/dbraw/zinc/79/47/60/466794760.db2.gz OVNZKRZREYRPGV-UHFFFAOYSA-N -1 3 345.322 2.374 10 30 EEEEHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)CCC2 ZINC000376985165 466988039 /nfs/dbraw/zinc/98/80/39/466988039.db2.gz KCHIZBWYNFEKNQ-LLVKDONJSA-N -1 3 334.426 2.074 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000425178137 467087594 /nfs/dbraw/zinc/08/75/94/467087594.db2.gz JRLPASHJLLTVLU-STQMWFEESA-N -1 3 340.401 2.081 10 30 EEEEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000420729253 467465188 /nfs/dbraw/zinc/46/51/88/467465188.db2.gz QJVLFBMHZKHQIG-GHMZBOCLSA-N -1 3 328.821 2.448 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)CCC1 ZINC000589229113 468135783 /nfs/dbraw/zinc/13/57/83/468135783.db2.gz KMLWJZHSHDHMDX-UHFFFAOYSA-N -1 3 342.424 2.257 10 30 EEEEHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489599799 468153517 /nfs/dbraw/zinc/15/35/17/468153517.db2.gz CUGCGUYUIAYBHV-NSHDSACASA-N -1 3 349.387 2.449 10 30 EEEEHM Cc1ncc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1C#N ZINC000489840840 468170337 /nfs/dbraw/zinc/17/03/37/468170337.db2.gz VVSBHDJFUJMGIL-UHFFFAOYSA-N -1 3 337.351 2.332 10 30 EEEEHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C)c(C#N)c2)on1 ZINC000600664407 468615038 /nfs/dbraw/zinc/61/50/38/468615038.db2.gz UPLOFIBMDGTGII-LBPRGKRZSA-N -1 3 347.396 2.105 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597730109 468653684 /nfs/dbraw/zinc/65/36/84/468653684.db2.gz XKLKBNZJRKNQRV-MRXNPFEDSA-N -1 3 339.399 2.295 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)CCc1ccccc1F)C(=O)OCC ZINC000594780510 468682830 /nfs/dbraw/zinc/68/28/30/468682830.db2.gz QTGSIYFOQBLMTG-HNNXBMFYSA-N -1 3 343.420 2.186 10 30 EEEEHM COC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000594790863 468686033 /nfs/dbraw/zinc/68/60/33/468686033.db2.gz YVHWUIWSCQIJOD-UHFFFAOYSA-N -1 3 328.821 2.305 10 30 EEEEHM N#CC1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000570948586 468718098 /nfs/dbraw/zinc/71/80/98/468718098.db2.gz RJRRGPLXJKKKTF-UHFFFAOYSA-N -1 3 335.610 2.437 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c([nH]c2=O)CCCC3)c(F)c1 ZINC000593283554 468927619 /nfs/dbraw/zinc/92/76/19/468927619.db2.gz ISICZCATFMZYDL-UHFFFAOYSA-N -1 3 347.371 2.478 10 30 EEEEHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cn1 ZINC000593541824 469026455 /nfs/dbraw/zinc/02/64/55/469026455.db2.gz CCOFUCIDSMRAOB-UHFFFAOYSA-N -1 3 337.426 2.282 10 30 EEEEHM COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000593602091 469054840 /nfs/dbraw/zinc/05/48/40/469054840.db2.gz DBNSOTHYCVUGLQ-UHFFFAOYSA-N -1 3 346.355 2.059 10 30 EEEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1(CO)CCCC1 ZINC000593604586 469056366 /nfs/dbraw/zinc/05/63/66/469056366.db2.gz BKCPTLCTHSTMNX-AWEZNQCLSA-N -1 3 342.486 2.475 10 30 EEEEHM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000603151316 469285302 /nfs/dbraw/zinc/28/53/02/469285302.db2.gz PQYWPHFMDLUOEC-HNNXBMFYSA-N -1 3 340.358 2.149 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)CCCC1 ZINC000612675560 469522754 /nfs/dbraw/zinc/52/27/54/469522754.db2.gz PIZUUIZKFUQRHJ-AWEZNQCLSA-N -1 3 344.383 2.002 10 30 EEEEHM C=CCN(CCOC)C(=O)Cc1ccc(Br)cc1[O-] ZINC000349916057 526286141 /nfs/dbraw/zinc/28/61/41/526286141.db2.gz QHIATSXFAVZGKI-UHFFFAOYSA-N -1 3 328.206 2.358 10 30 EEEEHM O=C(CSc1n[n-]c(N=NC2CCCCC2)n1)Nc1nc[nH]n1 ZINC000020428614 527588281 /nfs/dbraw/zinc/58/82/81/527588281.db2.gz MWLQKBULABYOCR-UHFFFAOYSA-N -1 3 335.397 2.035 10 30 EEEEHM C#CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000742787106 577876585 /nfs/dbraw/zinc/87/65/85/577876585.db2.gz JUTCHFVYMFXMMM-UHFFFAOYSA-N -1 3 349.387 2.098 10 30 EEEEHM COc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1 ZINC000744315680 577895893 /nfs/dbraw/zinc/89/58/93/577895893.db2.gz GAFHTNFBDXFMFT-UHFFFAOYSA-N -1 3 341.367 2.355 10 30 EEEEHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866944112 689132233 /nfs/dbraw/zinc/13/22/33/689132233.db2.gz QILJBRSOWLPTHX-UHFFFAOYSA-N -1 3 337.376 2.289 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCCN(CCC)C(=O)c1c(C)nc[n-]c1=O ZINC001745480316 1181931383 /nfs/dbraw/zinc/93/13/83/1181931383.db2.gz ZCKKFIJKZKYZKY-SFHVURJKSA-N -1 3 348.447 2.061 10 30 EEEEHM N#CC1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCCC1 ZINC000826140071 1201331478 /nfs/dbraw/zinc/33/14/78/1201331478.db2.gz WWEPCWDUGRZAPN-UHFFFAOYSA-N -1 3 331.326 2.447 10 30 EEEEHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(CCC#N)cc1 ZINC000901741890 1236244996 /nfs/dbraw/zinc/24/49/96/1236244996.db2.gz TYNUPXQRPNCWNX-UHFFFAOYSA-N -1 3 329.447 2.307 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3ccc(N)cc3[O-])CCOCC2)c1 ZINC000852910145 1292232374 /nfs/dbraw/zinc/23/23/74/1292232374.db2.gz BEUHRFMDOXJZJG-UHFFFAOYSA-N -1 3 337.379 2.282 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@@H](c3cccnc3)C2)c1[O-] ZINC000843265064 1315877106 /nfs/dbraw/zinc/87/71/06/1315877106.db2.gz UAXBECXJDUZKJY-WYDGTYKPSA-N -1 3 327.384 2.322 10 30 EEEEHM CC#CCCCC(=O)N[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001299562868 1319477249 /nfs/dbraw/zinc/47/72/49/1319477249.db2.gz AXRNUJTVBNFJCC-IBGZPJMESA-N -1 3 328.412 2.307 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1nc(CNC(=O)C[C@H](C)CC)cc(=O)[n-]1 ZINC001290364271 1328181647 /nfs/dbraw/zinc/18/16/47/1328181647.db2.gz KOIYFIHUNRBVOS-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM CC(C)C#CC(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001492161479 1331025844 /nfs/dbraw/zinc/02/58/44/1331025844.db2.gz IFTSWOOGNSPSIC-UHFFFAOYSA-N -1 3 328.412 2.020 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001339868740 1337087329 /nfs/dbraw/zinc/08/73/29/1337087329.db2.gz XIMGAOOTLQJELR-BDAKNGLRSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001339868740 1337087331 /nfs/dbraw/zinc/08/73/31/1337087331.db2.gz XIMGAOOTLQJELR-BDAKNGLRSA-N -1 3 339.856 2.233 10 30 EEEEHM C=C[C@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001347965463 1337528117 /nfs/dbraw/zinc/52/81/17/1337528117.db2.gz ZCTOCBGKOSMFRO-ZDUSSCGKSA-N -1 3 326.318 2.093 10 30 EEEEHM COC(=O)c1ccn(CC(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC001559036567 1342496036 /nfs/dbraw/zinc/49/60/36/1342496036.db2.gz OGBCSMZIYFBVTG-UHFFFAOYSA-N -1 3 339.351 2.241 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001572196514 1343429612 /nfs/dbraw/zinc/42/96/12/1343429612.db2.gz DRQJQZNCHPXZBS-KDOFPFPSSA-N -1 3 348.447 2.045 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC001628370234 1352532123 /nfs/dbraw/zinc/53/21/23/1352532123.db2.gz LZJUMRCAYYWQKL-LBPRGKRZSA-N -1 3 347.758 2.247 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001649518825 1353545483 /nfs/dbraw/zinc/54/54/83/1353545483.db2.gz GXBFMVLRNWHKLP-NVXWUHKLSA-N -1 3 340.423 2.115 10 30 EEEEHM C=CCC1(NC(=O)Nc2n[n-]nc2C(=O)NC2CC2)CCCCC1 ZINC001681141818 1357956143 /nfs/dbraw/zinc/95/61/43/1357956143.db2.gz UZASETJJPLNKCB-UHFFFAOYSA-N -1 3 332.408 2.097 10 30 EEEEHM C=CCCCC(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)(C)C)n1 ZINC001684816468 1358281875 /nfs/dbraw/zinc/28/18/75/1358281875.db2.gz WWHQRECFXRBNSX-UHFFFAOYSA-N -1 3 348.447 2.207 10 30 EEEEHM C=C(C)CCC(=O)N1CCC[C@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001688442469 1358963235 /nfs/dbraw/zinc/96/32/35/1358963235.db2.gz KXCJPGMQOPHUEZ-ZDUSSCGKSA-N -1 3 341.415 2.035 10 30 EEEEHM C#CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC001211897341 783070272 /nfs/dbraw/zinc/07/02/72/783070272.db2.gz QSXMAXVOQKZXTA-UHFFFAOYSA-N -1 3 337.347 2.455 10 30 EEEEHM C#CCN1CCC([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000921438323 773374130 /nfs/dbraw/zinc/37/41/30/773374130.db2.gz XWGGEDZMUASFAT-UHFFFAOYSA-N -1 3 332.878 2.086 10 30 EEEEHM Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816696404 784202272 /nfs/dbraw/zinc/20/22/72/784202272.db2.gz XVZWHIMQVUCNMB-LLVKDONJSA-N -1 3 335.747 2.023 10 30 EEEEHM O=C(Cc1ccccc1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001184272547 801939284 /nfs/dbraw/zinc/93/92/84/801939284.db2.gz JGPDQZCUXGKACO-UHFFFAOYSA-N -1 3 338.363 2.133 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000790100874 808410158 /nfs/dbraw/zinc/41/01/58/808410158.db2.gz ZZCNKCBWWXCAPT-CIYLQVQQSA-N -1 3 328.416 2.342 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001500483730 1112874005 /nfs/dbraw/zinc/87/40/05/1112874005.db2.gz HSVFHEFWNMYTDR-FZKQIMNGSA-N -1 3 348.447 2.045 10 30 EEEEHM C#CCCCC(=O)N1CCCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001509783455 1115905724 /nfs/dbraw/zinc/90/57/24/1115905724.db2.gz RMMVRPWICZJWPC-UHFFFAOYSA-N -1 3 340.423 2.260 10 30 EEEEHM CC(C)(C)[C@@H](CNC(=O)C#CC1CC1)NC(=O)c1ccccc1[O-] ZINC001511758325 1118230736 /nfs/dbraw/zinc/23/07/36/1118230736.db2.gz WASSHXAOUUWNMZ-MRXNPFEDSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2CSC[C@]2(C)C1 ZINC001520403720 1119157221 /nfs/dbraw/zinc/15/72/21/1119157221.db2.gz GTWWQVLLJGJXNY-BMIGLBTASA-N -1 3 333.417 2.014 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](CC#N)C1 ZINC001520596993 1119179402 /nfs/dbraw/zinc/17/94/02/1119179402.db2.gz UFXSIDFKHJACHO-SNVBAGLBSA-N -1 3 332.799 2.033 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](CC#N)C1 ZINC001520596993 1119179404 /nfs/dbraw/zinc/17/94/04/1119179404.db2.gz UFXSIDFKHJACHO-SNVBAGLBSA-N -1 3 332.799 2.033 10 30 EEEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001536623745 1123747811 /nfs/dbraw/zinc/74/78/11/1123747811.db2.gz DDOJHWXFKDBWKK-PJQLUOCWSA-N -1 3 340.423 2.425 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000310706584 539748972 /nfs/dbraw/zinc/74/89/72/539748972.db2.gz IKTNLOMIIVATHE-UHFFFAOYSA-N -1 3 338.198 2.069 10 30 EEEEHM C#CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000264929251 533067727 /nfs/dbraw/zinc/06/77/27/533067727.db2.gz XNQYECARCWQQLW-UHFFFAOYSA-N -1 3 342.848 2.170 10 30 EEEEHM C=C(C)CN(CC)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000065737525 462822911 /nfs/dbraw/zinc/82/29/11/462822911.db2.gz GCIVPCVNRCIBGK-UHFFFAOYSA-N -1 3 340.427 2.498 10 30 EEEEHM N#CC1([N-]S(=O)(=O)c2cc(Cl)cc3c2OCC3)CCCC1 ZINC000096009597 463139930 /nfs/dbraw/zinc/13/99/30/463139930.db2.gz MIRVUKHDWOQIOR-UHFFFAOYSA-N -1 3 326.805 2.390 10 30 EEEEHM CC(C)(C#N)c1ccccc1CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289543365 464083925 /nfs/dbraw/zinc/08/39/25/464083925.db2.gz WTYIUZPXEUCFID-CQSZACIVSA-N -1 3 325.416 2.279 10 30 EEEEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180227758 464268796 /nfs/dbraw/zinc/26/87/96/464268796.db2.gz ZVUDYRKNTWJHAG-SNVBAGLBSA-N -1 3 344.820 2.222 10 30 EEEEHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000173638413 464298834 /nfs/dbraw/zinc/29/88/34/464298834.db2.gz LPCNZKSMQFQBQH-UHFFFAOYSA-N -1 3 327.818 2.455 10 30 EEEEHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c(Cl)c1 ZINC000362852867 466073170 /nfs/dbraw/zinc/07/31/70/466073170.db2.gz JOFGQOLCAWABPR-UHFFFAOYSA-N -1 3 335.772 2.111 10 30 EEEEHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428370209 467225644 /nfs/dbraw/zinc/22/56/44/467225644.db2.gz ONAXKSDRCDCHOX-SNVBAGLBSA-N -1 3 335.360 2.140 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NC[C@H]2CCCCN2C2CC2)cc1C#N ZINC000434424668 467397336 /nfs/dbraw/zinc/39/73/36/467397336.db2.gz KIXSVOSGXDXEKY-CYBMUJFWSA-N -1 3 346.456 2.127 10 30 EEEEHM C=C[C@H](CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)c1ccccc1 ZINC000550111319 468206655 /nfs/dbraw/zinc/20/66/55/468206655.db2.gz JVKBLZWXRXCFDU-HIFRSBDPSA-N -1 3 325.416 2.251 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000594486441 468605229 /nfs/dbraw/zinc/60/52/29/468605229.db2.gz FVNNQGBBRBKORG-KBPBESRZSA-N -1 3 326.393 2.323 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594489081 468607148 /nfs/dbraw/zinc/60/71/48/468607148.db2.gz QURXHJSYXQSBRI-NSHDSACASA-N -1 3 326.443 2.390 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)CCCC1 ZINC000595383629 468833573 /nfs/dbraw/zinc/83/35/73/468833573.db2.gz KORNAKHYMLYPEE-AWEZNQCLSA-N -1 3 344.383 2.002 10 30 EEEEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000601486838 468892075 /nfs/dbraw/zinc/89/20/75/468892075.db2.gz AWRKLUWWILCAEV-INIZCTEOSA-N -1 3 328.478 2.321 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)n1ccnc1 ZINC000601527063 468907853 /nfs/dbraw/zinc/90/78/53/468907853.db2.gz RRQPKLMZSKOTJM-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccnn1C ZINC000593582954 469046528 /nfs/dbraw/zinc/04/65/28/469046528.db2.gz PYQJPLLMZYZSOH-LLVKDONJSA-N -1 3 338.458 2.071 10 30 EEEEHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593608717 469057570 /nfs/dbraw/zinc/05/75/70/469057570.db2.gz LKRAKKHTUMIRQZ-QWHCGFSZSA-N -1 3 334.422 2.463 10 30 EEEEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000603440141 469396438 /nfs/dbraw/zinc/39/64/38/469396438.db2.gz NSSFPPLVBFHDEE-UHFFFAOYSA-N -1 3 349.433 2.453 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000625325886 470119560 /nfs/dbraw/zinc/11/95/60/470119560.db2.gz JUHYYZOVDVDLML-UHFFFAOYSA-N -1 3 328.365 2.141 10 30 EEEEHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000733320156 577222155 /nfs/dbraw/zinc/22/21/55/577222155.db2.gz FFMPWYFDSOLNPX-SNVBAGLBSA-N -1 3 342.726 2.067 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C2=COCCC2)cc1 ZINC000744032941 577892282 /nfs/dbraw/zinc/89/22/82/577892282.db2.gz PFRPPRLZJRWNGO-HNNXBMFYSA-N -1 3 342.351 2.205 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000748408714 577961180 /nfs/dbraw/zinc/96/11/80/577961180.db2.gz ZSCJLEQCZYXCCL-UHFFFAOYSA-N -1 3 328.349 2.042 10 30 EEEEHM Cn1ncc(CCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC000904179976 694313194 /nfs/dbraw/zinc/31/31/94/694313194.db2.gz FREZBQULZRGISB-UHFFFAOYSA-N -1 3 329.187 2.473 10 30 EEEEHM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001719742712 1178773556 /nfs/dbraw/zinc/77/35/56/1178773556.db2.gz HMGUDLHSBUIGOI-GDBMZVCRSA-N -1 3 340.423 2.020 10 30 EEEEHM CC(C)(C)OC(=O)N1CC(CC(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870692422 1200816348 /nfs/dbraw/zinc/81/63/48/1200816348.db2.gz DCHXQQVCZIFTSG-UHFFFAOYSA-N -1 3 331.372 2.225 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(F)cnc21 ZINC001412278855 1205683191 /nfs/dbraw/zinc/68/31/91/1205683191.db2.gz OOEVQNLDCYBAGF-UHFFFAOYSA-N -1 3 340.358 2.332 10 30 EEEEHM C#C[C@@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001120753219 1309728661 /nfs/dbraw/zinc/72/86/61/1309728661.db2.gz JPQSNJIYEWSMSV-LLVKDONJSA-N -1 3 340.832 2.197 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCOCC1 ZINC000851828609 1291868228 /nfs/dbraw/zinc/86/82/28/1291868228.db2.gz CGGUPSVYLPCWGN-ZDUSSCGKSA-N -1 3 331.796 2.186 10 30 EEEEHM N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000855304820 1293165174 /nfs/dbraw/zinc/16/51/74/1293165174.db2.gz KPEQMIXYPPGXJM-IBGZPJMESA-N -1 3 349.394 2.152 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC001213353479 1295989403 /nfs/dbraw/zinc/98/94/03/1295989403.db2.gz GIRRGMJDLDUWCL-UHFFFAOYSA-N -1 3 344.799 2.125 10 30 EEEEHM CC#CCCCC(=O)N[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001299562869 1319477513 /nfs/dbraw/zinc/47/75/13/1319477513.db2.gz AXRNUJTVBNFJCC-LJQANCHMSA-N -1 3 328.412 2.307 10 30 EEEEHM O=Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cc1 ZINC001159642074 1319930196 /nfs/dbraw/zinc/93/01/96/1319930196.db2.gz STHMUGSHIDDJFH-QGZVFWFLSA-N -1 3 338.363 2.276 10 30 EEEEHM C=CCCCC(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001265301990 1323052557 /nfs/dbraw/zinc/05/25/57/1323052557.db2.gz VTQLBKKEXQOIQI-CQSZACIVSA-N -1 3 330.432 2.106 10 30 EEEEHM C#Cc1ccc(C(=O)NC[C@H](NC(=O)c2ccccc2[O-])C2CC2)cc1 ZINC001294912996 1329763443 /nfs/dbraw/zinc/76/34/43/1329763443.db2.gz KWOZHLWTKCMAMA-SFHVURJKSA-N -1 3 348.402 2.312 10 30 EEEEHM COC(=O)c1cc(NC(=O)Cc2ccc(C#N)cc2)c([O-])c(OC)c1 ZINC001304505130 1331387029 /nfs/dbraw/zinc/38/70/29/1331387029.db2.gz JOPCEVQAWGUBOU-UHFFFAOYSA-N -1 3 340.335 2.240 10 30 EEEEHM C=CCn1cc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2n1 ZINC001611668991 1352303557 /nfs/dbraw/zinc/30/35/57/1352303557.db2.gz GHDYLVHDVABMSU-UHFFFAOYSA-N -1 3 346.346 2.358 10 30 EEEEHM Cn1ncc2c1nc(SCCOc1ccccc1C#N)[n-]c2=O ZINC001614709481 1352321247 /nfs/dbraw/zinc/32/12/47/1352321247.db2.gz YMKWZMPOWZALQU-UHFFFAOYSA-N -1 3 327.369 2.112 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCCc1ccccc1)C(=O)OCC ZINC001561875997 1342532119 /nfs/dbraw/zinc/53/21/19/1342532119.db2.gz BCDJYGHPOMJFDA-INIZCTEOSA-N -1 3 339.457 2.437 10 30 EEEEHM CCOC(=O)c1cc(C(=O)[N-]c2ncccc2OCCCC#N)on1 ZINC001626521117 1352465125 /nfs/dbraw/zinc/46/51/25/1352465125.db2.gz PHJFYRINECPRDI-UHFFFAOYSA-N -1 3 344.327 2.181 10 30 EEEEHM COC(=O)c1cc(NC(=O)C#Cc2cccs2)c([O-])c(OC)c1 ZINC001636734614 1352668306 /nfs/dbraw/zinc/66/83/06/1352668306.db2.gz ZKXIIGSMHOYPJF-UHFFFAOYSA-N -1 3 331.349 2.239 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)OCC ZINC000919726919 770234653 /nfs/dbraw/zinc/23/46/53/770234653.db2.gz RXVLPVYLBIXOGP-NSHDSACASA-N -1 3 327.393 2.239 10 30 EEEEHM O=C(CCCc1ccc(Cl)c(Cl)c1)N[C@H]1CCN([O-])C1=O ZINC000816694179 784201388 /nfs/dbraw/zinc/20/13/88/784201388.db2.gz ACANUJMXPQISFI-LBPRGKRZSA-N -1 3 331.199 2.422 10 30 EEEEHM N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCN([O-])C3=O)c2)cc1 ZINC000816696461 784201824 /nfs/dbraw/zinc/20/18/24/784201824.db2.gz YUGWJJYGYHZWCD-MRXNPFEDSA-N -1 3 337.335 2.070 10 30 EEEEHM C=C(Cl)C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)C(=O)[O-] ZINC000908874801 785812795 /nfs/dbraw/zinc/81/27/95/785812795.db2.gz CYEJHTAWIRJMSB-CQSZACIVSA-N -1 3 339.823 2.013 10 30 EEEEHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCN([O-])C3=O)c2c1 ZINC000820185169 785827877 /nfs/dbraw/zinc/82/78/77/785827877.db2.gz JHRCIYDMLJTNQU-OAHLLOKOSA-N -1 3 339.395 2.449 10 30 EEEEHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000820475928 785938618 /nfs/dbraw/zinc/93/86/18/785938618.db2.gz CQNLKZNAHAPHEI-IUODEOHRSA-N -1 3 332.400 2.125 10 30 EEEEHM C=C(C)CO[N-]C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000824028578 788016738 /nfs/dbraw/zinc/01/67/38/788016738.db2.gz MIWYOAGCUSLMGU-UHFFFAOYSA-N -1 3 338.408 2.324 10 30 EEEEHM C#CCN(C(=O)c1cc([O-])cc(Br)c1)C1CSC1 ZINC000912372195 788146365 /nfs/dbraw/zinc/14/63/65/788146365.db2.gz NQFVVNQSHYNUGL-UHFFFAOYSA-N -1 3 326.215 2.346 10 30 EEEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(CN(C)C)cc1F ZINC001468971817 1110483146 /nfs/dbraw/zinc/48/31/46/1110483146.db2.gz MVQJNSVJNHPPKK-UHFFFAOYSA-N -1 3 328.347 2.420 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CC(=C)C)C1 ZINC001515552392 1118976723 /nfs/dbraw/zinc/97/67/23/1118976723.db2.gz JXBHDSOJRDDFHY-AWEZNQCLSA-N -1 3 338.415 2.257 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nn1 ZINC001520121504 1119129912 /nfs/dbraw/zinc/12/99/12/1119129912.db2.gz RYBKFXPIHCXRJA-UHFFFAOYSA-N -1 3 332.707 2.150 10 30 EEEEHM C=C(C)CCC(=O)NC[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001532751647 1122921196 /nfs/dbraw/zinc/92/11/96/1122921196.db2.gz IOKQPZVTVGRCRW-OAHLLOKOSA-N -1 3 343.431 2.185 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)cc1 ZINC000195288591 160209974 /nfs/dbraw/zinc/20/99/74/160209974.db2.gz CAUWQEWYNLNQDC-UHFFFAOYSA-N -1 3 338.392 2.241 10 30 EEEEHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C#N)c(OC)c2)s1 ZINC000352738726 162267491 /nfs/dbraw/zinc/26/74/91/162267491.db2.gz XZQIWQYOZPNARY-UHFFFAOYSA-N -1 3 337.426 2.064 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000430019905 268167921 /nfs/dbraw/zinc/16/79/21/268167921.db2.gz OBDNHPGLCPLTDA-TZMCWYRMSA-N -1 3 343.364 2.301 10 30 EEEEHM N#Cc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000052505333 463082874 /nfs/dbraw/zinc/08/28/74/463082874.db2.gz KROIMUOWNAGYAP-QGZVFWFLSA-N -1 3 349.390 2.185 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000294098083 464433469 /nfs/dbraw/zinc/43/34/69/464433469.db2.gz JGAGSTZTFOLGPN-CQSZACIVSA-N -1 3 338.354 2.124 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3C[C@H]3C)no2)ccc1F ZINC000545770397 468405209 /nfs/dbraw/zinc/40/52/09/468405209.db2.gz XWGBUHNCFFFYKF-KOLCDFICSA-N -1 3 337.376 2.463 10 30 EEEEHM CC[C@]1(C)[N-]C(=O)N(N=Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000254769894 465019107 /nfs/dbraw/zinc/01/91/07/465019107.db2.gz UPXSHDAVUBOSEW-ZDUSSCGKSA-N -1 3 335.232 2.437 10 30 EEEEHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C)C(F)(F)F ZINC000358832014 465348098 /nfs/dbraw/zinc/34/80/98/465348098.db2.gz RXAAHTJSEVKPQA-GFCCVEGCSA-N -1 3 336.335 2.112 10 30 EEEEHM CC1(C)CC[C@@H](CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)O1 ZINC000331162057 465962887 /nfs/dbraw/zinc/96/28/87/465962887.db2.gz LILXDVYQRYWDRM-NSHDSACASA-N -1 3 344.408 2.459 10 30 EEEEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416487169 466737087 /nfs/dbraw/zinc/73/70/87/466737087.db2.gz INPUVQCZCIJRIV-MRVPVSSYSA-N -1 3 335.198 2.347 10 30 EEEEHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cn1ccnc1 ZINC000414470412 467412510 /nfs/dbraw/zinc/41/25/10/467412510.db2.gz ONYYCXNNFMEQGV-LLVKDONJSA-N -1 3 338.820 2.023 10 30 EEEEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000420734221 467467943 /nfs/dbraw/zinc/46/79/43/467467943.db2.gz VSPOYOKNXLGJOK-NWDGAFQWSA-N -1 3 328.821 2.448 10 30 EEEEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435448688 467471103 /nfs/dbraw/zinc/47/11/03/467471103.db2.gz ZFZBHPGWGJIGKA-AWEZNQCLSA-N -1 3 328.459 2.229 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CNc3ccccc32)s1 ZINC000601344762 468834169 /nfs/dbraw/zinc/83/41/69/468834169.db2.gz DLCJUHWWHJMSQO-LLVKDONJSA-N -1 3 333.438 2.497 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)OC ZINC000601502337 468897220 /nfs/dbraw/zinc/89/72/20/468897220.db2.gz NVUHBOMWJOJPBC-LLVKDONJSA-N -1 3 335.784 2.265 10 30 EEEEHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000585090470 468961735 /nfs/dbraw/zinc/96/17/35/468961735.db2.gz QKWNPXVUSUTJEL-MRVPVSSYSA-N -1 3 325.415 2.134 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCCC1 ZINC000593606741 469056422 /nfs/dbraw/zinc/05/64/22/469056422.db2.gz AFNFZLJAVHNNHD-GFCCVEGCSA-N -1 3 328.459 2.229 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000617039360 469581409 /nfs/dbraw/zinc/58/14/09/469581409.db2.gz GJZJOAAPNVXTKC-OCCSQVGLSA-N -1 3 340.445 2.361 10 30 EEEEHM COc1cc(C(C)N=Nc2ccnc(N(C)C)n2)cc([N+](=O)[O-])c1[O-] ZINC000764690821 577486753 /nfs/dbraw/zinc/48/67/53/577486753.db2.gz YMHQWSNYUROQBU-UHFFFAOYSA-N -1 3 346.347 2.001 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000760210214 577658918 /nfs/dbraw/zinc/65/89/18/577658918.db2.gz COVIAMOIKVWLFV-XGCXUPMPSA-N -1 3 337.383 2.349 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894729142 683055360 /nfs/dbraw/zinc/05/53/60/683055360.db2.gz VAQZRFADYZPAQF-RHSMWYFYSA-N -1 3 343.427 2.236 10 30 EEEEHM Cn1nnc2c1C[C@H](C(=O)N([O-])CCCCc1ccccc1)CC2 ZINC000904195273 694325652 /nfs/dbraw/zinc/32/56/52/694325652.db2.gz AQAKSGAPWAOBJE-OAHLLOKOSA-N -1 3 328.416 2.161 10 30 EEEEHM C=CC(C)(C)CC(=O)NCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001744920972 1178374611 /nfs/dbraw/zinc/37/46/11/1178374611.db2.gz BDJSTIUOTYXSIQ-GFCCVEGCSA-N -1 3 343.431 2.185 10 30 EEEEHM CCN(CCNCc1cc(C#N)ccc1F)C(=O)c1ncccc1[O-] ZINC001268446782 1182622390 /nfs/dbraw/zinc/62/23/90/1182622390.db2.gz RJCKBLZTJUUDGL-UHFFFAOYSA-N -1 3 342.374 2.050 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001649061610 1193501574 /nfs/dbraw/zinc/50/15/74/1193501574.db2.gz SQJXDMUAUMPQII-SNVBAGLBSA-N -1 3 341.389 2.279 10 30 EEEEHM CC(CC(F)(F)F)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000814822047 1199749120 /nfs/dbraw/zinc/74/91/20/1199749120.db2.gz FRMMZTUTHCOXEL-UHFFFAOYSA-N -1 3 339.295 2.343 10 30 EEEEHM CCO[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000870454994 1200685634 /nfs/dbraw/zinc/68/56/34/1200685634.db2.gz SELSJVNRUWVXHM-ZVZYQTTQSA-N -1 3 341.407 2.438 10 30 EEEEHM Cc1nc2c(Cl)cccc2cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000868562036 1201835235 /nfs/dbraw/zinc/83/52/35/1201835235.db2.gz BSLFIGJOASUEFO-CYBMUJFWSA-N -1 3 333.775 2.307 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(ccnc2Cl)s1 ZINC000868563331 1201835814 /nfs/dbraw/zinc/83/58/14/1201835814.db2.gz QWLXPGZMIODWOR-MRVPVSSYSA-N -1 3 325.777 2.060 10 30 EEEEHM CCOC(=O)[C@@H](CC1CC1)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900944949 1235028029 /nfs/dbraw/zinc/02/80/29/1235028029.db2.gz YFGAFEAHTVASGE-CQSZACIVSA-N -1 3 336.338 2.498 10 30 EEEEHM C=CCOC[C@H](NCc1cccc(F)c1OC(F)(F)F)C(=O)[O-] ZINC000901808233 1236363277 /nfs/dbraw/zinc/36/32/77/1236363277.db2.gz HUWIRQQKURBZIX-NSHDSACASA-N -1 3 337.269 2.470 10 30 EEEEHM C=C(C)CCC(=O)NCc1nc(CNC(=O)[C@H](C)C(C)C)cc(=O)[n-]1 ZINC001489968300 1290880624 /nfs/dbraw/zinc/88/06/24/1290880624.db2.gz GCABELURPPSLIX-CYBMUJFWSA-N -1 3 348.447 2.063 10 30 EEEEHM C#CCC1(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001284857702 1326746948 /nfs/dbraw/zinc/74/69/48/1326746948.db2.gz HDYIUGIJQYJTJZ-HNNXBMFYSA-N -1 3 340.423 2.307 10 30 EEEEHM C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001285597618 1327070383 /nfs/dbraw/zinc/07/03/83/1327070383.db2.gz FJQQPFNTEWPJRE-LIRRHRJNSA-N -1 3 348.443 2.198 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001491926880 1330316781 /nfs/dbraw/zinc/31/67/81/1330316781.db2.gz WFXBAZSGZVYMPK-HUUCEWRRSA-N -1 3 346.427 2.046 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001334297506 1336235636 /nfs/dbraw/zinc/23/56/36/1336235636.db2.gz XZIQIAKUZNCTQV-KPZWWZAWSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001677888085 1357427528 /nfs/dbraw/zinc/42/75/28/1357427528.db2.gz PIWYTEOZILFKQA-QWHCGFSZSA-N -1 3 341.411 2.117 10 30 EEEEHM C[C@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000816691712 784201272 /nfs/dbraw/zinc/20/12/72/784201272.db2.gz XOZWXKVPBAHYOE-SKDRFNHKSA-N -1 3 330.306 2.305 10 30 EEEEHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CCCN([O-])C1=O ZINC000816756974 784244948 /nfs/dbraw/zinc/24/49/48/784244948.db2.gz JSGKUHGQWCBIRQ-MRXNPFEDSA-N -1 3 344.411 2.025 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000820178966 785824342 /nfs/dbraw/zinc/82/43/42/785824342.db2.gz CKCJNUSNUYVKRS-AWEZNQCLSA-N -1 3 337.335 2.215 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC001175030113 797970395 /nfs/dbraw/zinc/97/03/95/797970395.db2.gz OCKSRUMDDFHUDK-MRXNPFEDSA-N -1 3 347.374 2.286 10 30 EEEEHM CCc1onc(C)c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001439614971 1092523387 /nfs/dbraw/zinc/52/33/87/1092523387.db2.gz VBBXANDHWDVHCE-UHFFFAOYSA-N -1 3 342.399 2.384 10 30 EEEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)CCC)CC1 ZINC001506345104 1114555510 /nfs/dbraw/zinc/55/55/10/1114555510.db2.gz OYVWNHJNLGPTRR-UHFFFAOYSA-N -1 3 328.412 2.259 10 30 EEEEHM CC(C)[C@@H](CCN(C)C(=O)[C@H](C)C#N)NC(=O)c1ccccc1[O-] ZINC001509240894 1115769871 /nfs/dbraw/zinc/76/98/71/1115769871.db2.gz XUCGOAWHOIUABI-UKRRQHHQSA-N -1 3 331.416 2.155 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@@H](CC)C1 ZINC001520596351 1119179504 /nfs/dbraw/zinc/17/95/04/1119179504.db2.gz MQLFVAZJRKBJDP-VIFPVBQESA-N -1 3 339.856 2.234 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@@H](CC)C1 ZINC001520596351 1119179507 /nfs/dbraw/zinc/17/95/07/1119179507.db2.gz MQLFVAZJRKBJDP-VIFPVBQESA-N -1 3 339.856 2.234 10 30 EEEEHM O=C([N-]C/C=C/CNCc1c(F)c(F)c(F)c(F)c1F)C(F)F ZINC001568805414 1124820469 /nfs/dbraw/zinc/82/04/69/1124820469.db2.gz PRBWRYMVEPJGJW-OWOJBTEDSA-N -1 3 344.230 2.409 10 30 EEEEHM CCCO[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000071835082 463436169 /nfs/dbraw/zinc/43/61/69/463436169.db2.gz XFEBMMMWHVRLFG-OAHLLOKOSA-N -1 3 345.443 2.214 10 30 EEEEHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)cs1 ZINC000544724607 468402552 /nfs/dbraw/zinc/40/25/52/468402552.db2.gz WTCQEPSJFMMFOZ-NSHDSACASA-N -1 3 343.474 2.354 10 30 EEEEHM C=CCN(CC(F)(F)F)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000183508741 464873531 /nfs/dbraw/zinc/87/35/31/464873531.db2.gz NROONDOQVMNEEN-UHFFFAOYSA-N -1 3 344.333 2.397 10 30 EEEEHM CCOC(=O)COc1c(Br)cc(C=N[O-])cc1OC ZINC000252629338 464985236 /nfs/dbraw/zinc/98/52/36/464985236.db2.gz UDXWRMBKTQXENQ-UHFFFAOYSA-N -1 3 332.150 2.208 10 30 EEEEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000582729992 468586323 /nfs/dbraw/zinc/58/63/23/468586323.db2.gz QJCCNDUOECFCGX-MFKMUULPSA-N -1 3 330.837 2.287 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)n[n-]1 ZINC000366527180 465782108 /nfs/dbraw/zinc/78/21/08/465782108.db2.gz FIMODAMPNYZDJP-CQSZACIVSA-N -1 3 334.383 2.836 10 30 EEEEHM Cn1ccnc1-c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)[n-]n1 ZINC000366527180 465782118 /nfs/dbraw/zinc/78/21/18/465782118.db2.gz FIMODAMPNYZDJP-CQSZACIVSA-N -1 3 334.383 2.836 10 30 EEEEHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cccnc3C#N)c21 ZINC000428403347 467229134 /nfs/dbraw/zinc/22/91/34/467229134.db2.gz AIWXJEGLVVXCGR-UHFFFAOYSA-N -1 3 340.408 2.264 10 30 EEEEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000420734222 467468016 /nfs/dbraw/zinc/46/80/16/467468016.db2.gz VSPOYOKNXLGJOK-RYUDHWBXSA-N -1 3 328.821 2.448 10 30 EEEEHM CC[C@@](C)([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nccs1 ZINC000489489671 468143007 /nfs/dbraw/zinc/14/30/07/468143007.db2.gz VWXSJMSSTRLGEG-CQSZACIVSA-N -1 3 336.442 2.322 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594475623 468599669 /nfs/dbraw/zinc/59/96/69/468599669.db2.gz WQZQQXSQGKBEGP-TZMCWYRMSA-N -1 3 326.443 2.246 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594484859 468604323 /nfs/dbraw/zinc/60/43/23/468604323.db2.gz NDDDLJYEAFAQHG-SMDDNHRTSA-N -1 3 326.443 2.246 10 30 EEEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H]1CCCCO1 ZINC000594489389 468607010 /nfs/dbraw/zinc/60/70/10/468607010.db2.gz ZZUNVYQJKKUDNQ-UONOGXRCSA-N -1 3 326.393 2.323 10 30 EEEEHM N#CCc1cccc2c1CCN(C(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC000600788024 468658340 /nfs/dbraw/zinc/65/83/40/468658340.db2.gz DPACEFGDGAHSAS-UHFFFAOYSA-N -1 3 334.379 2.324 10 30 EEEEHM COC1CC(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000594790150 468686181 /nfs/dbraw/zinc/68/61/81/468686181.db2.gz SJKJNJADGHBESF-UHFFFAOYSA-N -1 3 328.821 2.305 10 30 EEEEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594792321 468687519 /nfs/dbraw/zinc/68/75/19/468687519.db2.gz PIIXWVSHCMZDPN-ZDUSSCGKSA-N -1 3 341.864 2.363 10 30 EEEEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)O1 ZINC000594850811 468704343 /nfs/dbraw/zinc/70/43/43/468704343.db2.gz FUPUYMUHVVWDTN-MNOVXSKESA-N -1 3 328.821 2.448 10 30 EEEEHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593572890 469042395 /nfs/dbraw/zinc/04/23/95/469042395.db2.gz NENGQTONXXSEMC-LLVKDONJSA-N -1 3 328.459 2.087 10 30 EEEEHM COC(=O)[C@@]1([N-]S(=O)(=O)CC2(CC#N)CC2)CCCC(C)(C)C1 ZINC000599413589 469247233 /nfs/dbraw/zinc/24/72/33/469247233.db2.gz OZHKTDFPOVUYKH-MRXNPFEDSA-N -1 3 342.461 2.112 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599503180 469278838 /nfs/dbraw/zinc/27/88/38/469278838.db2.gz ZOQRVSVZSFGMIE-UHFFFAOYSA-N -1 3 333.335 2.354 10 30 EEEEHM C=CC[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000599526053 469284713 /nfs/dbraw/zinc/28/47/13/469284713.db2.gz CORGXRSDPZJHFY-LLVKDONJSA-N -1 3 347.440 2.478 10 30 EEEEHM CC(=NN=c1cc[n-]n1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000774412995 577398005 /nfs/dbraw/zinc/39/80/05/577398005.db2.gz JAYXKJZQRKUKAY-UHFFFAOYSA-N -1 3 346.456 2.394 10 30 EEEEHM C#C[C@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000934513163 678440582 /nfs/dbraw/zinc/44/05/82/678440582.db2.gz JUSZCKSNIGXBTI-NSHDSACASA-N -1 3 345.424 2.067 10 30 EEEEHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)[C@@]12C[C@@H]1CCCC2 ZINC000904186399 694315277 /nfs/dbraw/zinc/31/52/77/694315277.db2.gz YTUFTYDSJIOUIX-DJJJIMSYSA-N -1 3 342.395 2.471 10 30 EEEEHM COCC#CCN[C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001267350119 1178806027 /nfs/dbraw/zinc/80/60/27/1178806027.db2.gz ACDHEDGQGJZYOX-GOSISDBHSA-N -1 3 338.407 2.103 10 30 EEEEHM N#Cc1cnn(CCOC(=O)c2cc3cc(Cl)sc3[n-]2)c1N ZINC000810573415 1199600094 /nfs/dbraw/zinc/60/00/94/1199600094.db2.gz UDHVYWNREJXRCA-UHFFFAOYSA-N -1 3 335.776 2.390 10 30 EEEEHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(F)nc2F)cc1 ZINC001190169063 1280717892 /nfs/dbraw/zinc/71/78/92/1280717892.db2.gz FTLCKELZOABBCE-UHFFFAOYSA-N -1 3 340.351 2.403 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@](C)(CC)CCC)n1 ZINC001264028259 1322588712 /nfs/dbraw/zinc/58/87/12/1322588712.db2.gz PVAHTSMPDGRROO-GOSISDBHSA-N -1 3 332.448 2.128 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNCC(Cl)=CCl)cc(=O)[n-]1 ZINC001264580536 1322737459 /nfs/dbraw/zinc/73/74/59/1322737459.db2.gz YIJNXSRBNGOETL-POHAHGRESA-N -1 3 345.230 2.173 10 30 EEEEHM CCCCCCCCC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001287900542 1327561141 /nfs/dbraw/zinc/56/11/41/1327561141.db2.gz NMHJNJLOYSDESY-ZIAGYGMSSA-N -1 3 335.452 2.275 10 30 EEEEHM Cc1nn(CCC#N)c(C)c1CCC(=O)[N-]Oc1cccc(C#N)c1 ZINC001302371100 1331326134 /nfs/dbraw/zinc/32/61/34/1331326134.db2.gz CZHIOZLDNVNLPQ-UHFFFAOYSA-N -1 3 337.383 2.328 10 30 EEEEHM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001329654024 1334691108 /nfs/dbraw/zinc/69/11/08/1334691108.db2.gz SCTKUZZUDOSJOM-LBPRGKRZSA-N -1 3 342.298 2.311 10 30 EEEEHM C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001337900821 1336750721 /nfs/dbraw/zinc/75/07/21/1336750721.db2.gz ZXYVGCHISOYVSG-GDBMZVCRSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(C)(C#N)CC1 ZINC001339212748 1336976395 /nfs/dbraw/zinc/97/63/95/1336976395.db2.gz YSBQXXPJYBRNBA-UHFFFAOYSA-N -1 3 332.799 2.033 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(C)(C#N)CC1 ZINC001339212748 1336976398 /nfs/dbraw/zinc/97/63/98/1336976398.db2.gz YSBQXXPJYBRNBA-UHFFFAOYSA-N -1 3 332.799 2.033 10 30 EEEEHM C=CC(C)(C)C(=O)NCCN(Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC001567447332 1342763452 /nfs/dbraw/zinc/76/34/52/1342763452.db2.gz QKSYYQPQJORNLC-UHFFFAOYSA-N -1 3 344.459 2.352 10 30 EEEEHM C=CC(C)(C)C(=O)NCCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001572110999 1343399043 /nfs/dbraw/zinc/39/90/43/1343399043.db2.gz FEFFGWBVVHVESX-LBPRGKRZSA-N -1 3 343.431 2.185 10 30 EEEEHM CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1C(=O)c1ccccc1[O-] ZINC001684912214 1358291603 /nfs/dbraw/zinc/29/16/03/1358291603.db2.gz MXZJSWIOYWQEST-JKSUJKDBSA-N -1 3 328.412 2.161 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1)OCC ZINC001687906111 1358665732 /nfs/dbraw/zinc/66/57/32/1358665732.db2.gz RYPXCBRRQARPCV-WMLDXEAASA-N -1 3 346.427 2.094 10 30 EEEEHM N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCN([O-])C3=O)c2)cc1 ZINC000816696460 784202355 /nfs/dbraw/zinc/20/23/55/784202355.db2.gz YUGWJJYGYHZWCD-INIZCTEOSA-N -1 3 337.335 2.070 10 30 EEEEHM N#C[C@]1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCSC1 ZINC001136560529 787085677 /nfs/dbraw/zinc/08/56/77/787085677.db2.gz PUWBQIRAGZYEBO-OAHLLOKOSA-N -1 3 333.800 2.311 10 30 EEEEHM COc1cccc([C@@H](C#N)NC(=O)Cc2ccc([O-])c(F)c2)c1OC ZINC001136685956 787617550 /nfs/dbraw/zinc/61/75/50/787617550.db2.gz NZQPERPNNZENFV-CQSZACIVSA-N -1 3 344.342 2.472 10 30 EEEEHM COCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccnc1 ZINC000952994348 796140381 /nfs/dbraw/zinc/14/03/81/796140381.db2.gz RRJUTIYZBZSNSV-LBPRGKRZSA-N -1 3 337.426 2.071 10 30 EEEEHM Cc1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)ccc1C#N ZINC000921856505 797658207 /nfs/dbraw/zinc/65/82/07/797658207.db2.gz MAMKZXIKAVBPOR-AAEUAGOBSA-N -1 3 348.346 2.112 10 30 EEEEHM Cc1nc([N-]C(=O)c2sccc2F)n(-c2ccc(C#N)cc2)n1 ZINC001456835184 1109328034 /nfs/dbraw/zinc/32/80/34/1109328034.db2.gz LEFNVAOKZPXCAY-UHFFFAOYSA-N -1 3 327.344 2.322 10 30 EEEEHM C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001511412076 1118123608 /nfs/dbraw/zinc/12/36/08/1118123608.db2.gz NDRJJVPGELXCTJ-GJZGRUSLSA-N -1 3 328.412 2.210 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CC2CC2)C1 ZINC001519491035 1119083334 /nfs/dbraw/zinc/08/33/34/1119083334.db2.gz DDRHNKAJHJNAAL-GFCCVEGCSA-N -1 3 327.388 2.288 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)CC)n1 ZINC001519537015 1119084799 /nfs/dbraw/zinc/08/47/99/1119084799.db2.gz ROABRRDPXJLGIW-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCCCC(=O)N1CCC[C@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001529296799 1121395430 /nfs/dbraw/zinc/39/54/30/1121395430.db2.gz ZOTQSYLPEANPGH-ZDUSSCGKSA-N -1 3 341.415 2.035 10 30 EEEEHM C=C(C)CCC(=O)NC1(CNC(=O)c2c(C)nc[n-]c2=O)CCCC1 ZINC001531592459 1122466088 /nfs/dbraw/zinc/46/60/88/1122466088.db2.gz QMXJQFJRSZEKHT-UHFFFAOYSA-N -1 3 346.431 2.006 10 30 EEEEHM N#Cc1cc(F)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(F)c1 ZINC000120727793 292257280 /nfs/dbraw/zinc/25/72/80/292257280.db2.gz HVIXKFGUIZRTHO-UHFFFAOYSA-N -1 3 340.293 2.193 10 30 EEEEHM N#Cc1cc(F)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(F)c1 ZINC000120727793 292257283 /nfs/dbraw/zinc/25/72/83/292257283.db2.gz HVIXKFGUIZRTHO-UHFFFAOYSA-N -1 3 340.293 2.193 10 30 EEEEHM Cc1cnc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c([O-])c1 ZINC000358602436 465215153 /nfs/dbraw/zinc/21/51/53/465215153.db2.gz OYFDYRQYLGJKKN-UHFFFAOYSA-N -1 3 338.411 2.171 10 30 EEEEHM N#Cc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000052505335 463083031 /nfs/dbraw/zinc/08/30/31/463083031.db2.gz KROIMUOWNAGYAP-KRWDZBQOSA-N -1 3 349.390 2.185 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000280567475 464218495 /nfs/dbraw/zinc/21/84/95/464218495.db2.gz LATCNPSLSYBBAD-HNNXBMFYSA-N -1 3 336.457 2.213 10 30 EEEEHM C=CC[C@@H](CO)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189091478 464431426 /nfs/dbraw/zinc/43/14/26/464431426.db2.gz CNSOLXLFDQPHTK-INIZCTEOSA-N -1 3 325.364 2.290 10 30 EEEEHM COc1ccc([O-])c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183659446 464894777 /nfs/dbraw/zinc/89/47/77/464894777.db2.gz XCUTWDDIOZUZNH-UHFFFAOYSA-N -1 3 335.323 2.105 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1c(C)noc1C ZINC000331117221 465940305 /nfs/dbraw/zinc/94/03/05/465940305.db2.gz FAUFTHBGAODVIX-CQSZACIVSA-N -1 3 334.401 2.296 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)C1CCC(F)(F)CC1 ZINC000594485589 468604753 /nfs/dbraw/zinc/60/47/53/468604753.db2.gz AFNLHPUHHBZBIF-SNVBAGLBSA-N -1 3 329.372 2.446 10 30 EEEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000594789987 468686210 /nfs/dbraw/zinc/68/62/10/468686210.db2.gz OWMZZXAABXVMRR-WDEREUQCSA-N -1 3 344.458 2.343 10 30 EEEEHM COCCN(CCC#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000614917360 469095253 /nfs/dbraw/zinc/09/52/53/469095253.db2.gz DSONBONXNYRTDP-UHFFFAOYSA-N -1 3 341.205 2.086 10 30 EEEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC1(C#N)CCCC1 ZINC000593779458 469134088 /nfs/dbraw/zinc/13/40/88/469134088.db2.gz JRPXFYZOLGESIX-UHFFFAOYSA-N -1 3 339.399 2.365 10 30 EEEEHM C=CCn1cc(C[N-]c2nc(-c3cc(OC)cc(OC)c3)no2)nn1 ZINC000664033977 471617036 /nfs/dbraw/zinc/61/70/36/471617036.db2.gz WESORIAXCCKQLC-UHFFFAOYSA-N -1 3 342.359 2.143 10 30 EEEEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000192990099 528044888 /nfs/dbraw/zinc/04/48/88/528044888.db2.gz HGILLKURSHNFAD-CYBMUJFWSA-N -1 3 344.820 2.167 10 30 EEEEHM COc1cc(C=Nn2cnnc2-c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000767232827 577532859 /nfs/dbraw/zinc/53/28/59/577532859.db2.gz ORIPBBPTOMYLIM-UHFFFAOYSA-N -1 3 339.311 2.450 10 30 EEEEHM Cc1cc([N+](=O)[O-])ccc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000758107772 577615998 /nfs/dbraw/zinc/61/59/98/577615998.db2.gz CDSJUKQHHZYRDQ-UHFFFAOYSA-N -1 3 333.369 2.357 10 30 EEEEHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(CCF)CC1 ZINC000904186010 694315315 /nfs/dbraw/zinc/31/53/15/694315315.db2.gz NMDNOQMDTKBOHM-UHFFFAOYSA-N -1 3 334.347 2.030 10 30 EEEEHM C=CCCC(=O)N(C)[C@@H](C)CNCc1nc(=O)c2sccc2[n-]1 ZINC001482261057 1184810781 /nfs/dbraw/zinc/81/07/81/1184810781.db2.gz QOYUUDITDSFDCB-NSHDSACASA-N -1 3 334.445 2.300 10 30 EEEEHM C=CCn1c(=O)[n-]nc1SCc1nccc(C)c1C(=O)OCC ZINC000865359949 1198184831 /nfs/dbraw/zinc/18/48/31/1198184831.db2.gz ZNMWHKYKKJCYBS-UHFFFAOYSA-N -1 3 334.401 2.342 10 30 EEEEHM C=CCN(CCc1ccccc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878001104 1200206812 /nfs/dbraw/zinc/20/68/12/1200206812.db2.gz MTMAEOVHADKBKG-UHFFFAOYSA-N -1 3 325.412 2.486 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccnc(F)c1 ZINC000871001099 1200999629 /nfs/dbraw/zinc/99/96/29/1200999629.db2.gz SPLXPOXYUFDOEJ-UHFFFAOYSA-N -1 3 328.347 2.059 10 30 EEEEHM C=CCCc1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000882009083 1201802835 /nfs/dbraw/zinc/80/28/35/1201802835.db2.gz WDRROPGGLAVXBT-UHFFFAOYSA-N -1 3 345.424 2.048 10 30 EEEEHM C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001275386935 1205333858 /nfs/dbraw/zinc/33/38/58/1205333858.db2.gz SFCSWRXELWXZDV-ZIAGYGMSSA-N -1 3 341.386 2.074 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(C)C ZINC000867224735 1284414312 /nfs/dbraw/zinc/41/43/12/1284414312.db2.gz SIHFIYWGRALIBS-MRVPVSSYSA-N -1 3 329.834 2.281 10 30 EEEEHM C=CCCC(=O)N1CC[C@H](NCc2nc(=O)c3sccc3[n-]2)[C@H]1C ZINC001278234675 1308875689 /nfs/dbraw/zinc/87/56/89/1308875689.db2.gz RRRMQKSLMHNDQS-NEPJUHHUSA-N -1 3 346.456 2.442 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](CF)C1 ZINC001122490095 1310308368 /nfs/dbraw/zinc/30/83/68/1310308368.db2.gz FFPLBBJBNYJJAT-SNVBAGLBSA-N -1 3 339.806 2.479 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](CF)C1 ZINC001122490095 1310308375 /nfs/dbraw/zinc/30/83/75/1310308375.db2.gz FFPLBBJBNYJJAT-SNVBAGLBSA-N -1 3 339.806 2.479 10 30 EEEEHM Cn1cc(CNC(=O)c2cccc(O)c2[O-])c(-c2ccc(C#N)cc2)n1 ZINC001154061622 1316946692 /nfs/dbraw/zinc/94/66/92/1316946692.db2.gz CSKMOPBGYSIBNJ-UHFFFAOYSA-N -1 3 348.362 2.300 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC=C)C1 ZINC001262990827 1322417539 /nfs/dbraw/zinc/41/75/39/1322417539.db2.gz PJXVPKQSGBITJL-LLVKDONJSA-N -1 3 331.811 2.142 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC=C)C1 ZINC001262990827 1322417541 /nfs/dbraw/zinc/41/75/41/1322417541.db2.gz PJXVPKQSGBITJL-LLVKDONJSA-N -1 3 331.811 2.142 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@H](C)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001280824842 1324544711 /nfs/dbraw/zinc/54/47/11/1324544711.db2.gz NVVWCXBONHGEQO-GFCCVEGCSA-N -1 3 348.447 2.108 10 30 EEEEHM C=C[C@@H](CC)CC(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC001285265428 1326933644 /nfs/dbraw/zinc/93/36/44/1326933644.db2.gz MCIPEZWWYZBYEZ-DZGCQCFKSA-N -1 3 347.463 2.202 10 30 EEEEHM C=CCC1(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001316642775 1327338309 /nfs/dbraw/zinc/33/83/09/1327338309.db2.gz VXFGHANVJDEMKE-HDJSIYSDSA-N -1 3 347.463 2.021 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001297916114 1330015920 /nfs/dbraw/zinc/01/59/20/1330015920.db2.gz IEJDYSGPKYAPEY-NVXWUHKLSA-N -1 3 342.439 2.409 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC2(CCC2)OC[C@@H]1C ZINC001339209543 1336975658 /nfs/dbraw/zinc/97/56/58/1336975658.db2.gz BDZVZWAOJXPLDK-JTQLQIEISA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC2(CCC2)OC[C@@H]1C ZINC001339209543 1336975661 /nfs/dbraw/zinc/97/56/61/1336975661.db2.gz BDZVZWAOJXPLDK-JTQLQIEISA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC2(CCCC2)OC[C@@H]1C ZINC001340501681 1337198110 /nfs/dbraw/zinc/19/81/10/1337198110.db2.gz MJKADRQOGHSMLJ-LBPRGKRZSA-N -1 3 345.403 2.363 10 30 EEEEHM CC#CCCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001678837656 1357575925 /nfs/dbraw/zinc/57/59/25/1357575925.db2.gz YFNPVJVRSWEUKN-OSYLJGHBSA-N -1 3 340.423 2.020 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)[C@H]1CCCO1 ZINC001661508917 1354646834 /nfs/dbraw/zinc/64/68/34/1354646834.db2.gz JRDZIHBWFYFKOY-ZIAGYGMSSA-N -1 3 348.449 2.269 10 30 EEEEHM COc1cc(C(=O)[N-]Oc2cccc(C#N)c2)c([N+](=O)[O-])cc1F ZINC001171256217 790686613 /nfs/dbraw/zinc/68/66/13/790686613.db2.gz SAEDXXFYMRUABM-UHFFFAOYSA-N -1 3 331.259 2.338 10 30 EEEEHM Cc1cccc(COc2cccc(C(=O)N[C@@H]3CCN([O-])C3=O)c2)c1 ZINC000816692452 784199859 /nfs/dbraw/zinc/19/98/59/784199859.db2.gz OKZUHLZWASOLRV-QGZVFWFLSA-N -1 3 340.379 2.294 10 30 EEEEHM C[C@@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816693747 784201044 /nfs/dbraw/zinc/20/10/44/784201044.db2.gz QUABJPAUHDRWCJ-CABZTGNLSA-N -1 3 330.306 2.305 10 30 EEEEHM C/C(=C/C(=O)N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820179531 785825098 /nfs/dbraw/zinc/82/50/98/785825098.db2.gz MDPRZRJSRDYZIO-UPZNUWHASA-N -1 3 328.290 2.215 10 30 EEEEHM C=CCN1CCC(NC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)CC1 ZINC000908946494 785869274 /nfs/dbraw/zinc/86/92/74/785869274.db2.gz SFXWDXCMGHJBSG-SFHVURJKSA-N -1 3 337.464 2.360 10 30 EEEEHM Cc1cccc(C#N)c1S(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC000921852669 797499935 /nfs/dbraw/zinc/49/99/35/797499935.db2.gz AGPWBMQFQQSAJY-WCQYABFASA-N -1 3 348.346 2.112 10 30 EEEEHM N#Cc1cnc2c(c1)CCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000788426633 807511474 /nfs/dbraw/zinc/51/14/74/807511474.db2.gz VLRUXGQSMZCBBY-UHFFFAOYSA-N -1 3 340.408 2.113 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001565991651 1125486302 /nfs/dbraw/zinc/48/63/02/1125486302.db2.gz PGYYACRYJQJITI-MOEXGYKKSA-N -1 3 338.839 2.243 10 30 EEEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001448624661 1093687974 /nfs/dbraw/zinc/68/79/74/1093687974.db2.gz WFOIMWMDHQQJEN-UHFFFAOYSA-N -1 3 338.302 2.144 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc2cc(Br)ccc2c1 ZINC001450157928 1105250391 /nfs/dbraw/zinc/25/03/91/1105250391.db2.gz OPYNHCULUSXJRO-CYBMUJFWSA-N -1 3 349.184 2.322 10 30 EEEEHM C#Cc1ccc(NC(=O)CCN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001473765663 1110580294 /nfs/dbraw/zinc/58/02/94/1110580294.db2.gz JDKWMMKRLOXAKI-UHFFFAOYSA-N -1 3 348.406 2.385 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001520596990 1119179594 /nfs/dbraw/zinc/17/95/94/1119179594.db2.gz UFXSIDFKHJACHO-JTQLQIEISA-N -1 3 332.799 2.033 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001520596990 1119179597 /nfs/dbraw/zinc/17/95/97/1119179597.db2.gz UFXSIDFKHJACHO-JTQLQIEISA-N -1 3 332.799 2.033 10 30 EEEEHM COc1ccnc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000425614270 270019887 /nfs/dbraw/zinc/01/98/87/270019887.db2.gz ZHSWCTWROWKLAV-UHFFFAOYSA-N -1 3 340.383 2.275 10 30 EEEEHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000351109813 465075067 /nfs/dbraw/zinc/07/50/67/465075067.db2.gz OSIIFYUXPYENOA-SNVBAGLBSA-N -1 3 339.364 2.024 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000328879195 465154785 /nfs/dbraw/zinc/15/47/85/465154785.db2.gz VBSRKABEPWCPSB-RHSMWYFYSA-N -1 3 343.427 2.236 10 30 EEEEHM Cc1nc(C)c(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000552287322 468321808 /nfs/dbraw/zinc/32/18/08/468321808.db2.gz OJKAJMNRBRXOJS-UHFFFAOYSA-N -1 3 328.372 2.130 10 30 EEEEHM C=CCCCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000076650665 462890809 /nfs/dbraw/zinc/89/08/09/462890809.db2.gz RBLLKEPTIYKGHT-UHFFFAOYSA-N -1 3 336.866 2.104 10 30 EEEEHM C=CCN(CC(F)(F)F)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000058367871 463588013 /nfs/dbraw/zinc/58/80/13/463588013.db2.gz CWCDFSJIMGHFEF-UHFFFAOYSA-N -1 3 341.333 2.373 10 30 EEEEHM C=CCc1cc(CNC2(c3nn[n-]n3)CCCC2)cc(OC)c1O ZINC000344205015 465594682 /nfs/dbraw/zinc/59/46/82/465594682.db2.gz HANLTLPCNCAKIF-UHFFFAOYSA-N -1 3 329.404 2.202 10 30 EEEEHM C=C[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000362597979 465868584 /nfs/dbraw/zinc/86/85/84/465868584.db2.gz BBZRQAVJEQJPSW-JTQLQIEISA-N -1 3 340.426 2.124 10 30 EEEEHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(C)o1 ZINC000581723734 468498736 /nfs/dbraw/zinc/49/87/36/468498736.db2.gz UCENJVQFXOTGSZ-INIZCTEOSA-N -1 3 348.424 2.461 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1ccc(F)cc1 ZINC000600667364 468615325 /nfs/dbraw/zinc/61/53/25/468615325.db2.gz BAXRCFYISVCIMW-KBPBESRZSA-N -1 3 328.409 2.371 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594869896 468713918 /nfs/dbraw/zinc/71/39/18/468713918.db2.gz UOFCJHFCAOTNRC-UHFFFAOYSA-N -1 3 348.384 2.219 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000593568176 469039801 /nfs/dbraw/zinc/03/98/01/469039801.db2.gz UVJNXSPIOWMYLK-ZLKJLUDKSA-N -1 3 338.454 2.246 10 30 EEEEHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)ccn1 ZINC000593567529 469040115 /nfs/dbraw/zinc/04/01/15/469040115.db2.gz RTMQPTPFJORZJB-UHFFFAOYSA-N -1 3 337.426 2.280 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000593602101 469055186 /nfs/dbraw/zinc/05/51/86/469055186.db2.gz RECGEQXGNCXYHP-CHWSQXEVSA-N -1 3 349.437 2.213 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c(F)c1 ZINC000593631298 469069863 /nfs/dbraw/zinc/06/98/63/469069863.db2.gz GGWTXFATJNWKGF-INIZCTEOSA-N -1 3 338.404 2.181 10 30 EEEEHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000612675467 469523138 /nfs/dbraw/zinc/52/31/38/469523138.db2.gz ACKVEPAKYVCRFU-GDBMZVCRSA-N -1 3 336.457 2.154 10 30 EEEEHM Cn1nc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)c2ccccc21 ZINC000612687637 469526962 /nfs/dbraw/zinc/52/69/62/469526962.db2.gz XQKAUDVJQWAVPI-UHFFFAOYSA-N -1 3 332.429 2.077 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000672815573 486205809 /nfs/dbraw/zinc/20/58/09/486205809.db2.gz AZFKTERMYXSUJK-UHFFFAOYSA-N -1 3 327.299 2.325 10 30 EEEEHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)CC(C)(C)OC)cc1 ZINC000414369175 526619957 /nfs/dbraw/zinc/61/99/57/526619957.db2.gz IOMRASNYAQMGMK-UHFFFAOYSA-N -1 3 341.433 2.161 10 30 EEEEHM C#C[C@@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000934513162 678440342 /nfs/dbraw/zinc/44/03/42/678440342.db2.gz JUSZCKSNIGXBTI-LLVKDONJSA-N -1 3 345.424 2.067 10 30 EEEEHM C=CCCC(=O)NC[C@H](NCc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC001266400545 1176481944 /nfs/dbraw/zinc/48/19/44/1176481944.db2.gz BLZPUQFQMSMRQY-ZDUSSCGKSA-N -1 3 346.456 2.348 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001719823370 1181472704 /nfs/dbraw/zinc/47/27/04/1181472704.db2.gz JPBBWIQUSFCTNH-KBMXLJTQSA-N -1 3 340.423 2.303 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001483678224 1190737966 /nfs/dbraw/zinc/73/79/66/1190737966.db2.gz PXPNFPZYAWQHBY-KXBFYZLASA-N -1 3 344.459 2.352 10 30 EEEEHM C#CCN(CC(=O)OC(C)(C)C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878917940 1200748760 /nfs/dbraw/zinc/74/87/60/1200748760.db2.gz ZNYSEEXSLNLPLN-UHFFFAOYSA-N -1 3 343.383 2.219 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867552743 1201632573 /nfs/dbraw/zinc/63/25/73/1201632573.db2.gz NZDDHIYYDKFOAH-UHFFFAOYSA-N -1 3 336.255 2.063 10 30 EEEEHM COC(=O)c1coc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)c1 ZINC001413360222 1235895236 /nfs/dbraw/zinc/89/52/36/1235895236.db2.gz XLSVFKTZCLVHSX-UHFFFAOYSA-N -1 3 334.278 2.346 10 30 EEEEHM C=C[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001188164270 1279781377 /nfs/dbraw/zinc/78/13/77/1279781377.db2.gz OZJTWMRMOBHADK-ZCFIWIBFSA-N -1 3 325.615 2.350 10 30 EEEEHM O=C(/C=C/c1csc(C(F)(F)F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000861828498 1295555388 /nfs/dbraw/zinc/55/53/88/1295555388.db2.gz SDQNLMCZVIIKRF-CDAZIORVSA-N -1 3 334.319 2.277 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)C1 ZINC001263742475 1322510544 /nfs/dbraw/zinc/51/05/44/1322510544.db2.gz SNBIVTQZELLOET-NSHDSACASA-N -1 3 345.838 2.366 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)C1 ZINC001263742475 1322510549 /nfs/dbraw/zinc/51/05/49/1322510549.db2.gz SNBIVTQZELLOET-NSHDSACASA-N -1 3 345.838 2.366 10 30 EEEEHM CC(C)C#CC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001281189788 1324847188 /nfs/dbraw/zinc/84/71/88/1324847188.db2.gz VVLLWKATKAFPMP-PXNSSMCTSA-N -1 3 340.423 2.305 10 30 EEEEHM C=C(C)CCC(=O)NCc1nc(CNC(=O)C(C)=CCC)cc(=O)[n-]1 ZINC001282235176 1325660508 /nfs/dbraw/zinc/66/05/08/1325660508.db2.gz USCTVYHFIOSWLV-AWNIVKPZSA-N -1 3 346.431 2.127 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@@H](CC)CNC(=O)c2ccccc2[O-])cc1 ZINC001285036427 1326839422 /nfs/dbraw/zinc/83/94/22/1326839422.db2.gz FDIUIZNBJGRMTA-INIZCTEOSA-N -1 3 336.391 2.312 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001286320563 1327372328 /nfs/dbraw/zinc/37/23/28/1327372328.db2.gz GVZAAHJROXXBEE-LSDHHAIUSA-N -1 3 328.412 2.209 10 30 EEEEHM C=CCCCC(=O)NCCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001296214642 1329875358 /nfs/dbraw/zinc/87/53/58/1329875358.db2.gz PRVSEPLDBAPMCT-UHFFFAOYSA-N -1 3 341.411 2.073 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N[C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001297403756 1329969198 /nfs/dbraw/zinc/96/91/98/1329969198.db2.gz BARYEBONKSPWAH-QWHCGFSZSA-N -1 3 343.431 2.185 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001298899620 1330133509 /nfs/dbraw/zinc/13/35/09/1330133509.db2.gz PTSFNNNSELEUAI-RDJZCZTQSA-N -1 3 342.439 2.456 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304566458 1331389962 /nfs/dbraw/zinc/38/99/62/1331389962.db2.gz VMWAESNGVXENSK-HIFRSBDPSA-N -1 3 341.367 2.296 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304566458 1331389967 /nfs/dbraw/zinc/38/99/67/1331389967.db2.gz VMWAESNGVXENSK-HIFRSBDPSA-N -1 3 341.367 2.296 10 30 EEEEHM C=CCCOCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001356939255 1338924578 /nfs/dbraw/zinc/92/45/78/1338924578.db2.gz VWIMUQVLBZGREI-UHFFFAOYSA-N -1 3 346.427 2.144 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C)c(C#N)c3)c2c1=O ZINC001611487095 1352301711 /nfs/dbraw/zinc/30/17/11/1352301711.db2.gz LUOUPLZKDLVYRT-UHFFFAOYSA-N -1 3 335.367 2.485 10 30 EEEEHM Cc1cnn(-c2c(C(=O)N([O-])Cc3ccc(F)cc3)c(C)nn2C)c1 ZINC001611667105 1352303489 /nfs/dbraw/zinc/30/34/89/1352303489.db2.gz OGRWOPALBWWWCU-UHFFFAOYSA-N -1 3 343.362 2.393 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)[n-]n1 ZINC001434383673 1341835346 /nfs/dbraw/zinc/83/53/46/1341835346.db2.gz ASDQVMPURLSBEX-UHFFFAOYSA-N -1 3 334.282 2.377 10 30 EEEEHM CC(C)OC(=O)c1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)n[n-]1 ZINC001434383673 1341835347 /nfs/dbraw/zinc/83/53/47/1341835347.db2.gz ASDQVMPURLSBEX-UHFFFAOYSA-N -1 3 334.282 2.377 10 30 EEEEHM C=CCC[C@@H](NCc1ccc([O-])c(OC)c1[N+](=O)[O-])C(=O)OCC ZINC001621340116 1352366520 /nfs/dbraw/zinc/36/65/20/1352366520.db2.gz BDNSNBMWYFOWQD-GFCCVEGCSA-N -1 3 338.360 2.297 10 30 EEEEHM CC[C@@H](CNC(=O)c1ncccc1[O-])NCC#Cc1ccc(F)cc1 ZINC001665781902 1355386827 /nfs/dbraw/zinc/38/68/27/1355386827.db2.gz DFIJVQCZTQSRJG-INIZCTEOSA-N -1 3 341.386 2.076 10 30 EEEEHM C[C@@H](C[C@H](C)NC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001681536879 1358024615 /nfs/dbraw/zinc/02/46/15/1358024615.db2.gz CODIJNPUOHDAOM-KBPBESRZSA-N -1 3 330.428 2.455 10 30 EEEEHM C#CCCCCCCOC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000835715222 761243623 /nfs/dbraw/zinc/24/36/23/761243623.db2.gz VBJXSOASDFRHIC-UHFFFAOYSA-N -1 3 327.402 2.237 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc(OCc2cccs2)c1 ZINC000816692025 784201163 /nfs/dbraw/zinc/20/11/63/784201163.db2.gz DZVYOQOWSVSVSU-AWEZNQCLSA-N -1 3 332.381 2.047 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847466 785787383 /nfs/dbraw/zinc/78/73/83/785787383.db2.gz RFVYHMTXSQCBQO-IAGOWNOFSA-N -1 3 345.443 2.370 10 30 EEEEHM CC(C)COc1ccc(C(C)(C)C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820179070 785824038 /nfs/dbraw/zinc/82/40/38/785824038.db2.gz FIKCJDYNEYFENT-HNNXBMFYSA-N -1 3 334.416 2.105 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911857046 787781490 /nfs/dbraw/zinc/78/14/90/787781490.db2.gz ZHYRZTBKSUROST-LLVKDONJSA-N -1 3 332.310 2.095 10 30 EEEEHM N#Cc1cc(Br)ccc1CC(=O)[N-]OCC(F)(F)F ZINC000845830360 789961772 /nfs/dbraw/zinc/96/17/72/789961772.db2.gz BPHMVLDZLXSANU-UHFFFAOYSA-N -1 3 337.095 2.473 10 30 EEEEHM N#Cc1cc(Br)ccc1CC(=O)[N-]OC1CCOCC1 ZINC000845955057 789995197 /nfs/dbraw/zinc/99/51/97/789995197.db2.gz DOBFTFTVJBPVRT-UHFFFAOYSA-N -1 3 339.189 2.090 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001475791518 1110621018 /nfs/dbraw/zinc/62/10/18/1110621018.db2.gz ASROILUVXRTCMM-KSSFIOAISA-N -1 3 349.452 2.285 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001508558632 1115558524 /nfs/dbraw/zinc/55/85/24/1115558524.db2.gz AWWIGASNXADDBX-RYUDHWBXSA-N -1 3 343.431 2.183 10 30 EEEEHM CC(C)[C@H](CCN(C)C(=O)[C@H](C)C#N)NC(=O)c1ccccc1[O-] ZINC001509240893 1115769901 /nfs/dbraw/zinc/76/99/01/1115769901.db2.gz XUCGOAWHOIUABI-HIFRSBDPSA-N -1 3 331.416 2.155 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCO[C@@H]2C(=C)C)c1 ZINC001528382772 1121002383 /nfs/dbraw/zinc/00/23/83/1121002383.db2.gz FLHWFYGARRDKAA-SJKOYZFVSA-N -1 3 330.384 2.228 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001533050538 1123046089 /nfs/dbraw/zinc/04/60/89/1123046089.db2.gz KTFJKPCUPUHMIG-RDJZCZTQSA-N -1 3 340.423 2.115 10 30 EEEEHM N#Cc1cc(S(=O)(=O)[N-]C2(CF)CCOCC2)ccc1Cl ZINC000451735576 243236721 /nfs/dbraw/zinc/23/67/21/243236721.db2.gz JZIFWSNLLOIJMW-UHFFFAOYSA-N -1 3 332.784 2.009 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000343996498 161187962 /nfs/dbraw/zinc/18/79/62/161187962.db2.gz SDHJDBMQQXHSRH-SNVBAGLBSA-N -1 3 348.346 2.282 10 30 EEEEHM Cc1nc([N-]C(=O)[C@H](C)Oc2ccccc2C#N)n(-c2ccccc2)n1 ZINC000440126625 270020571 /nfs/dbraw/zinc/02/05/71/270020571.db2.gz FIGAZIBJJQHALW-ZDUSSCGKSA-N -1 3 347.378 2.275 10 30 EEEEHM CCC(CC)(C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)OC ZINC000297023988 266000516 /nfs/dbraw/zinc/00/05/16/266000516.db2.gz KSQCCLRTDPXYBX-UHFFFAOYSA-N -1 3 328.409 2.322 10 30 EEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C#N)cn3)cc2)n1 ZINC000107462917 463571045 /nfs/dbraw/zinc/57/10/45/463571045.db2.gz RMPQPZCKSQLFLA-UHFFFAOYSA-N -1 3 331.335 2.264 10 30 EEEEHM CC#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000543608540 468395241 /nfs/dbraw/zinc/39/52/41/468395241.db2.gz PEBLDJQNPGYOBZ-UHFFFAOYSA-N -1 3 349.387 2.098 10 30 EEEEHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000189147383 464445353 /nfs/dbraw/zinc/44/53/53/464445353.db2.gz VXRCGKAAHWTYMV-SNVBAGLBSA-N -1 3 335.360 2.140 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3C[C@@H]3C)no2)ccc1F ZINC000545770400 468405266 /nfs/dbraw/zinc/40/52/66/468405266.db2.gz XWGBUHNCFFFYKF-ONGXEEELSA-N -1 3 337.376 2.463 10 30 EEEEHM C=CCC(F)(F)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000295127384 464715133 /nfs/dbraw/zinc/71/51/33/464715133.db2.gz ZNEOJNLMGLMSCC-OAHLLOKOSA-N -1 3 348.309 2.459 10 30 EEEEHM CNC(=O)c1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000361529972 466078580 /nfs/dbraw/zinc/07/85/80/466078580.db2.gz HKVSUQNVAMYVOV-OAHLLOKOSA-N -1 3 330.347 2.479 10 30 EEEEHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NCC(F)F ZINC000444370091 467582709 /nfs/dbraw/zinc/58/27/09/467582709.db2.gz WYEOHOOSMJBTQO-SECBINFHSA-N -1 3 346.202 2.066 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593357689 468949499 /nfs/dbraw/zinc/94/94/99/468949499.db2.gz DDRDYXYCYFMCFU-INIZCTEOSA-N -1 3 335.354 2.466 10 30 EEEEHM CC(C)(C)n1nnc(C(=O)[N-]c2cccc(C#N)c2Br)n1 ZINC000598841615 469021202 /nfs/dbraw/zinc/02/12/02/469021202.db2.gz ISXKOSOOFNHYDC-UHFFFAOYSA-N -1 3 349.192 2.315 10 30 EEEEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C12CCC2 ZINC000593553662 469032494 /nfs/dbraw/zinc/03/24/94/469032494.db2.gz UKUHYWUYKYJODL-STQMWFEESA-N -1 3 326.443 2.246 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000593601832 469055172 /nfs/dbraw/zinc/05/51/72/469055172.db2.gz QTJQBSXLABQQMS-OLZOCXBDSA-N -1 3 349.437 2.213 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCCC1 ZINC000657186195 471053300 /nfs/dbraw/zinc/05/33/00/471053300.db2.gz BNNZZIKUJHJZMP-UHFFFAOYSA-N -1 3 343.470 2.257 10 30 EEEEHM C#CCOc1ccccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000734135227 577279794 /nfs/dbraw/zinc/27/97/94/577279794.db2.gz QLITXIDIIZBEEJ-UHFFFAOYSA-N -1 3 332.359 2.470 10 30 EEEEHM Cc1nnc(N=NC2CCN(Cc3ccccc3)C[C@H]2C)[n-]c1=O ZINC000734362928 577291531 /nfs/dbraw/zinc/29/15/31/577291531.db2.gz DMVGNRXOLMOCLU-GFCCVEGCSA-N -1 3 326.404 2.196 10 30 EEEEHM C#C[C@@H](NCc1cc(Br)c([O-])c(OC)c1)[C@@H]1CCCO1 ZINC000775339163 577435320 /nfs/dbraw/zinc/43/53/20/577435320.db2.gz AICPVPISUVJLHF-OLZOCXBDSA-N -1 3 340.217 2.434 10 30 EEEEHM Cc1cc([N+](=O)[O-])ccc1C=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000758126139 577616284 /nfs/dbraw/zinc/61/62/84/577616284.db2.gz XFKSBOXDINMWJW-UHFFFAOYSA-N -1 3 347.396 2.399 10 30 EEEEHM C[C@H](Cn1ncc2ccccc2c1=O)/N=C\c1ccc(O)c([O-])c1O ZINC000763276992 577718346 /nfs/dbraw/zinc/71/83/46/577718346.db2.gz WYHRPFJQHHPVCS-DLGFXHSSSA-N -1 3 339.351 2.021 10 30 EEEEHM [O-]c1ccc(C=NN2C(=S)N=NC2COc2ccc(F)cc2)nc1 ZINC000755632512 577828213 /nfs/dbraw/zinc/82/82/13/577828213.db2.gz PLALULNJVHFZHW-UHFFFAOYSA-N -1 3 345.359 2.268 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)C1(C#N)CCCCC1 ZINC000744861288 577904422 /nfs/dbraw/zinc/90/44/22/577904422.db2.gz CGMVYNMATGKYIS-CYBMUJFWSA-N -1 3 344.415 2.232 10 30 EEEEHM O=C(C[C@H]1CCS(=O)(=O)C1)N([O-])CCCCc1ccccc1 ZINC000904200593 694326981 /nfs/dbraw/zinc/32/69/81/694326981.db2.gz DYCFCKKKUSWGOV-OAHLLOKOSA-N -1 3 325.430 2.052 10 30 EEEEHM C=CCCN(C)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000897602662 691672252 /nfs/dbraw/zinc/67/22/52/691672252.db2.gz UGGDHJQSXDESCV-ZDUSSCGKSA-N -1 3 333.436 2.102 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@H]1CC[C@H](CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001271770359 1186472987 /nfs/dbraw/zinc/47/29/87/1186472987.db2.gz MPUWTIWYWDMROY-HDJSIYSDSA-N -1 3 349.479 2.125 10 30 EEEEHM C=CCCCC(=O)N(C)C[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001691656608 1193603285 /nfs/dbraw/zinc/60/32/85/1193603285.db2.gz KWKADJFEQDMANJ-INIZCTEOSA-N -1 3 344.459 2.449 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)CC1 ZINC000872670953 1198326341 /nfs/dbraw/zinc/32/63/41/1198326341.db2.gz LTYFDSPWVYAOLC-AULYBMBSSA-N -1 3 339.388 2.083 10 30 EEEEHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000811187658 1199916830 /nfs/dbraw/zinc/91/68/30/1199916830.db2.gz VPYKPZNUZXCOEJ-UHFFFAOYSA-N -1 3 349.346 2.057 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000870283559 1200591098 /nfs/dbraw/zinc/59/10/98/1200591098.db2.gz YJBFIADGTBUYHY-UHFFFAOYSA-N -1 3 342.436 2.456 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000868562472 1201835512 /nfs/dbraw/zinc/83/55/12/1201835512.db2.gz FQSSRTLVNXYTIH-HOTGVXAUSA-N -1 3 331.416 2.242 10 30 EEEEHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ccns1)C(C)C ZINC000885122998 1202392726 /nfs/dbraw/zinc/39/27/26/1202392726.db2.gz DLAZDMLIDGCGID-CYBMUJFWSA-N -1 3 329.491 2.120 10 30 EEEEHM C#CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001488163140 1286876874 /nfs/dbraw/zinc/87/68/74/1286876874.db2.gz AUCFCHBRKOSDLM-HUUCEWRRSA-N -1 3 340.423 2.305 10 30 EEEEHM N#Cc1ccc(Cn2cc(NC(=O)c3cccc4n[n-]nc43)cn2)cc1 ZINC001152378388 1316663772 /nfs/dbraw/zinc/66/37/72/1316663772.db2.gz PEUSHSDVLSDZSW-UHFFFAOYSA-N -1 3 343.350 2.327 10 30 EEEEHM C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001293533244 1328743160 /nfs/dbraw/zinc/74/31/60/1328743160.db2.gz FVVSILBUQDZWPG-OAHLLOKOSA-N -1 3 328.412 2.491 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc2cccc(Br)c21 ZINC001159331424 1319742405 /nfs/dbraw/zinc/74/24/05/1319742405.db2.gz HFUDHYCYHRAUHO-GFCCVEGCSA-N -1 3 349.184 2.322 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)C1 ZINC001263742474 1322510319 /nfs/dbraw/zinc/51/03/19/1322510319.db2.gz SNBIVTQZELLOET-LLVKDONJSA-N -1 3 345.838 2.366 10 30 EEEEHM C#CC[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)C1 ZINC001263742474 1322510325 /nfs/dbraw/zinc/51/03/25/1322510325.db2.gz SNBIVTQZELLOET-LLVKDONJSA-N -1 3 345.838 2.366 10 30 EEEEHM C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001281032198 1324730883 /nfs/dbraw/zinc/73/08/83/1324730883.db2.gz LMOCKXYJIDVRGN-AWEZNQCLSA-N -1 3 336.391 2.264 10 30 EEEEHM CC#CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001287892298 1327559356 /nfs/dbraw/zinc/55/93/56/1327559356.db2.gz MYGZNRCGRATMNS-HOCLYGCPSA-N -1 3 328.412 2.305 10 30 EEEEHM C=C(C)CCC(=O)N[C@H]1CCCCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001290568207 1328233567 /nfs/dbraw/zinc/23/35/67/1328233567.db2.gz XMVWRXNVKMYXIL-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM C=CC(C)(C)CC(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001334295435 1336235465 /nfs/dbraw/zinc/23/54/65/1336235465.db2.gz RLKBMHISUKGLMH-GFCCVEGCSA-N -1 3 343.431 2.137 10 30 EEEEHM CCOC(=O)[C@](C)([N-]C(=O)CC(F)(F)C(F)F)C(F)(F)F ZINC001610908550 1352291636 /nfs/dbraw/zinc/29/16/36/1352291636.db2.gz NAOZARHCXLXYMG-QMMMGPOBSA-N -1 3 327.196 2.277 10 30 EEEEHM CC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1NC(=O)C#CC1CC1 ZINC001505558562 1342236017 /nfs/dbraw/zinc/23/60/17/1342236017.db2.gz PGXFGJLPMHPJPI-RDJZCZTQSA-N -1 3 340.423 2.163 10 30 EEEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001661750607 1354689997 /nfs/dbraw/zinc/68/99/97/1354689997.db2.gz CUURXPKTXLGQGK-LBPRGKRZSA-N -1 3 327.377 2.001 10 30 EEEEHM C#CCC1(C(=O)N[C@H](C)CCNC(=O)c2ccccc2[O-])CCC1 ZINC001688248524 1358870629 /nfs/dbraw/zinc/87/06/29/1358870629.db2.gz LEXPPIOQCDQANF-CQSZACIVSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1cccc(C)c1)C(=O)OC ZINC000921384792 773321552 /nfs/dbraw/zinc/32/15/52/773321552.db2.gz XJDBMJKHZKTWHH-OAHLLOKOSA-N -1 3 325.430 2.312 10 30 EEEEHM C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820137724 785804912 /nfs/dbraw/zinc/80/49/12/785804912.db2.gz QQGLAVNDBJTREW-BCPZQOPPSA-N -1 3 344.289 2.095 10 30 EEEEHM C=CCN1CCC(NC(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])CC1 ZINC000908946210 785868460 /nfs/dbraw/zinc/86/84/60/785868460.db2.gz PSFCNUSTBAOYKL-QGZVFWFLSA-N -1 3 343.427 2.171 10 30 EEEEHM CC(C)(O)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000845911782 789991731 /nfs/dbraw/zinc/99/17/31/789991731.db2.gz WATDFMWNFYWGPB-UHFFFAOYSA-N -1 3 336.438 2.326 10 30 EEEEHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000846538026 790235860 /nfs/dbraw/zinc/23/58/60/790235860.db2.gz MNYXVGMMWLBVSY-HNNXBMFYSA-N -1 3 334.391 2.231 10 30 EEEEHM C#CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001508262451 1115463272 /nfs/dbraw/zinc/46/32/72/1115463272.db2.gz ZIXNZDAIJUDTHW-HNNXBMFYSA-N -1 3 328.412 2.259 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000541317967 318096707 /nfs/dbraw/zinc/09/67/07/318096707.db2.gz WRGCQXAFTDYZJE-UHFFFAOYSA-N -1 3 342.403 2.194 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000353131212 465661036 /nfs/dbraw/zinc/66/10/36/465661036.db2.gz QOZMDRZKBURXSC-AWEZNQCLSA-N -1 3 345.848 2.310 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)s1 ZINC000340731055 466296437 /nfs/dbraw/zinc/29/64/37/466296437.db2.gz HIPSLMQGFPPPDB-UHFFFAOYSA-N -1 3 345.352 2.095 10 30 EEEEHM CCCCOc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c([O-])c1 ZINC000365123033 466733263 /nfs/dbraw/zinc/73/32/63/466733263.db2.gz GFOCIQFGLDBFGL-HNNXBMFYSA-N -1 3 343.427 2.383 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N(C[C@H](C)C#N)C1CC1)c2=O ZINC000412214615 467039833 /nfs/dbraw/zinc/03/98/33/467039833.db2.gz MEXYXCSODAGWNM-LLVKDONJSA-N -1 3 325.368 2.301 10 30 EEEEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000525835845 467645049 /nfs/dbraw/zinc/64/50/49/467645049.db2.gz OFKFHQCXMRONKG-MRXNPFEDSA-N -1 3 328.478 2.321 10 30 EEEEHM CC(C)([N-]S(=O)(=O)CC1(C#N)CC1)c1cc(C(F)(F)F)on1 ZINC000490453678 468214118 /nfs/dbraw/zinc/21/41/18/468214118.db2.gz OEZVFIBRMUDGMN-UHFFFAOYSA-N -1 3 337.323 2.152 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594475621 468599779 /nfs/dbraw/zinc/59/97/79/468599779.db2.gz WQZQQXSQGKBEGP-JSGCOSHPSA-N -1 3 326.443 2.246 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO ZINC000594756748 468675279 /nfs/dbraw/zinc/67/52/79/468675279.db2.gz ACHUKHJAXJQKMP-KOLCDFICSA-N -1 3 338.454 2.377 10 30 EEEEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)O1 ZINC000594850812 468703844 /nfs/dbraw/zinc/70/38/44/468703844.db2.gz FUPUYMUHVVWDTN-QWRGUYRKSA-N -1 3 328.821 2.448 10 30 EEEEHM COc1ccnc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1F ZINC000594856817 468707977 /nfs/dbraw/zinc/70/79/77/468707977.db2.gz IVSUWHHTAVMSTR-UHFFFAOYSA-N -1 3 341.408 2.123 10 30 EEEEHM CO[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000595377750 468831553 /nfs/dbraw/zinc/83/15/53/468831553.db2.gz UBNZHYPQGPJVRC-GFCCVEGCSA-N -1 3 328.459 2.493 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC000601502857 468898070 /nfs/dbraw/zinc/89/80/70/468898070.db2.gz VCURNVLVZOTPQI-NEPJUHHUSA-N -1 3 339.404 2.239 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OC ZINC000601503147 468898256 /nfs/dbraw/zinc/89/82/56/468898256.db2.gz YHSNUSQZTVMJHZ-SECBINFHSA-N -1 3 337.850 2.496 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)n1cccn1 ZINC000601525489 468907284 /nfs/dbraw/zinc/90/72/84/468907284.db2.gz ARKSQIFSFAXUEY-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCn3nccc32)c1 ZINC000601539334 468912083 /nfs/dbraw/zinc/91/20/83/468912083.db2.gz JDZLAKODGAGLAJ-GFCCVEGCSA-N -1 3 336.804 2.222 10 30 EEEEHM CCc1nc(CC[N-]S(=O)(=O)c2ccsc2C#N)cs1 ZINC000593540268 469024272 /nfs/dbraw/zinc/02/42/72/469024272.db2.gz PZVIQQIEIYUHQP-UHFFFAOYSA-N -1 3 327.456 2.160 10 30 EEEEHM CC[C@@H](C#N)C(=O)Nc1cc(I)ccc1[O-] ZINC000593555596 469033133 /nfs/dbraw/zinc/03/31/33/469033133.db2.gz DRWGKOZJIJTDJM-ZETCQYMHSA-N -1 3 330.125 2.485 10 30 EEEEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(F)c1 ZINC000593621972 469063289 /nfs/dbraw/zinc/06/32/89/469063289.db2.gz VTAVSNSHLMOXNX-UHFFFAOYSA-N -1 3 339.392 2.146 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)O ZINC000611020817 469140839 /nfs/dbraw/zinc/14/08/39/469140839.db2.gz URLNRBMHVRMJAV-MRVPVSSYSA-N -1 3 336.335 2.015 10 30 EEEEHM Cc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cn1 ZINC000616177073 469390797 /nfs/dbraw/zinc/39/07/97/469390797.db2.gz FCNMQOXIVUAKBN-SECBINFHSA-N -1 3 339.277 2.089 10 30 EEEEHM Cc1ncc(CO)c(/C=N\C2CCN(C(=O)OC(C)C)CC2)c1[O-] ZINC000732927080 577197471 /nfs/dbraw/zinc/19/74/71/577197471.db2.gz XVWQLWLSFQJIGF-OCKHKDLRSA-N -1 3 335.404 2.016 10 30 EEEEHM CC(=NN=c1cc[n-]n1C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000774412623 577398050 /nfs/dbraw/zinc/39/80/50/577398050.db2.gz SHCNWOGRPRWDGX-UHFFFAOYSA-N -1 3 327.432 2.370 10 30 EEEEHM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000742032512 578232894 /nfs/dbraw/zinc/23/28/94/578232894.db2.gz WWYNQXANLCJNLK-LBPRGKRZSA-N -1 3 326.393 2.226 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894729143 683055209 /nfs/dbraw/zinc/05/52/09/683055209.db2.gz VAQZRFADYZPAQF-WMLDXEAASA-N -1 3 343.427 2.236 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)s1 ZINC000856750415 684861183 /nfs/dbraw/zinc/86/11/83/684861183.db2.gz BVSRIFGTPKVWPP-ZETCQYMHSA-N -1 3 325.242 2.482 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC000936440376 686308747 /nfs/dbraw/zinc/30/87/47/686308747.db2.gz VPLWANABNWQXIS-NJSLBKSFSA-N -1 3 328.412 2.420 10 30 EEEEHM O=C(C1CN([C@@H]2CCOC2)C1)N([O-])Cc1cccc2ccccc21 ZINC000904172955 694319475 /nfs/dbraw/zinc/31/94/75/694319475.db2.gz MNAUAXJAMVXGGC-QGZVFWFLSA-N -1 3 326.396 2.278 10 30 EEEEHM C=CCN(C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1)C1CC1 ZINC000897599510 691668465 /nfs/dbraw/zinc/66/84/65/691668465.db2.gz NXAYCGVOYLDKAR-ZDUSSCGKSA-N -1 3 345.447 2.244 10 30 EEEEHM C=CCOc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898220919 691899281 /nfs/dbraw/zinc/89/92/81/691899281.db2.gz FMNHDYHFCTXWCJ-AWEZNQCLSA-N -1 3 327.384 2.239 10 30 EEEEHM C=CCCCCCN(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898814049 693471729 /nfs/dbraw/zinc/47/17/29/693471729.db2.gz BIBWUJWMEKCMMR-AWEZNQCLSA-N -1 3 333.436 2.149 10 30 EEEEHM C=CCC1(C(=O)N2CC(NC(=O)c3ccccc3[O-])C2)CCCC1 ZINC001745818227 1185248622 /nfs/dbraw/zinc/24/86/22/1185248622.db2.gz HVSLTGQVVGFXJJ-UHFFFAOYSA-N -1 3 328.412 2.469 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@H](Cc1cc2ccccc2o1)C(=O)OC ZINC000885766386 1202441558 /nfs/dbraw/zinc/44/15/58/1202441558.db2.gz RCGGADJKOUSKQV-CQSZACIVSA-N -1 3 337.397 2.012 10 30 EEEEHM C#CCCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001156894013 1318268382 /nfs/dbraw/zinc/26/83/82/1318268382.db2.gz FQFUEFXQKYXQRP-UHFFFAOYSA-N -1 3 333.185 2.434 10 30 EEEEHM C[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001164225711 1321324631 /nfs/dbraw/zinc/32/46/31/1321324631.db2.gz JONXSMSYZWGVIU-YFKPBYRVSA-N -1 3 327.226 2.171 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)C)n1 ZINC001282229831 1325657564 /nfs/dbraw/zinc/65/75/64/1325657564.db2.gz WWYIOPAGRKCBIX-ZDUSSCGKSA-N -1 3 348.447 2.063 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001286073742 1327277442 /nfs/dbraw/zinc/27/74/42/1327277442.db2.gz NZYAALNKIIMKPV-LJQANCHMSA-N -1 3 328.412 2.307 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001286320561 1327372395 /nfs/dbraw/zinc/37/23/95/1327372395.db2.gz GVZAAHJROXXBEE-GJZGRUSLSA-N -1 3 328.412 2.209 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001287298002 1327467797 /nfs/dbraw/zinc/46/77/97/1327467797.db2.gz RWFFYILGHVHKRT-CHWSQXEVSA-N -1 3 348.447 2.108 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001340733532 1337237517 /nfs/dbraw/zinc/23/75/17/1337237517.db2.gz QLCBCXVRSGOSNV-ZJUUUORDSA-N -1 3 332.799 2.031 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001340733532 1337237519 /nfs/dbraw/zinc/23/75/19/1337237519.db2.gz QLCBCXVRSGOSNV-ZJUUUORDSA-N -1 3 332.799 2.031 10 30 EEEEHM C#CCOc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001558573992 1342483261 /nfs/dbraw/zinc/48/32/61/1342483261.db2.gz SWBJJMDKKCYVQU-VIFPVBQESA-N -1 3 338.289 2.327 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001581217731 1344601189 /nfs/dbraw/zinc/60/11/89/1344601189.db2.gz JWRVBAWKRLUGBF-GJZGRUSLSA-N -1 3 346.427 2.094 10 30 EEEEHM Cc1cc(=O)[n-]c(CNC(=O)CCCCOc2cccc(C#N)c2)n1 ZINC001628267679 1352528277 /nfs/dbraw/zinc/52/82/77/1352528277.db2.gz BNUGCXPWJUILQV-UHFFFAOYSA-N -1 3 340.383 2.228 10 30 EEEEHM C=CCCC[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1[O-])C(=O)OC ZINC001652017762 1354073599 /nfs/dbraw/zinc/07/35/99/1354073599.db2.gz VRHPNDFTGOUDSP-CQSZACIVSA-N -1 3 346.383 2.144 10 30 EEEEHM N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001652320725 1354087622 /nfs/dbraw/zinc/08/76/22/1354087622.db2.gz XMVSWTUSSRBIJK-UMSPYCQHSA-N -1 3 340.343 2.495 10 30 EEEEHM CON=Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1 ZINC001652733423 1354101210 /nfs/dbraw/zinc/10/12/10/1354101210.db2.gz MBSUFYZUDOKGJZ-UHFFFAOYSA-N -1 3 330.344 2.208 10 30 EEEEHM CON=Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1 ZINC001652733423 1354101212 /nfs/dbraw/zinc/10/12/12/1354101212.db2.gz MBSUFYZUDOKGJZ-UHFFFAOYSA-N -1 3 330.344 2.208 10 30 EEEEHM C=CC1(CC(=O)N[C@H](C)C[C@@H](C)NC(=O)c2cn[n-]n2)CCCCC1 ZINC001681574715 1358034874 /nfs/dbraw/zinc/03/48/74/1358034874.db2.gz YFPGIIVHNSPAFP-ZIAGYGMSSA-N -1 3 347.463 2.344 10 30 EEEEHM C=CCCCC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001683869592 1358205394 /nfs/dbraw/zinc/20/53/94/1358205394.db2.gz ULUWWOOYMODMBM-GDBMZVCRSA-N -1 3 328.412 2.421 10 30 EEEEHM C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001685431793 1358324077 /nfs/dbraw/zinc/32/40/77/1358324077.db2.gz TZHHTCKURPUTER-CYBMUJFWSA-N -1 3 347.463 2.154 10 30 EEEEHM C[C@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816693749 784200791 /nfs/dbraw/zinc/20/07/91/784200791.db2.gz QUABJPAUHDRWCJ-SKDRFNHKSA-N -1 3 330.306 2.305 10 30 EEEEHM C[C@@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000816691711 784201222 /nfs/dbraw/zinc/20/12/22/784201222.db2.gz XOZWXKVPBAHYOE-JOYOIKCWSA-N -1 3 330.306 2.305 10 30 EEEEHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001184348142 801997457 /nfs/dbraw/zinc/99/74/57/801997457.db2.gz LCAQKQHKLNWYBJ-UHFFFAOYSA-N -1 3 347.374 2.193 10 30 EEEEHM N#Cc1ccccc1N1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000790597845 808824485 /nfs/dbraw/zinc/82/44/85/808824485.db2.gz GUGRFVNMMQFENO-UHFFFAOYSA-N -1 3 337.379 2.368 10 30 EEEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@@H](C)CCC)C(=O)OCC ZINC001475578676 1110615120 /nfs/dbraw/zinc/61/51/20/1110615120.db2.gz LFWOSPQSDIZPDK-JQWIXIFHSA-N -1 3 325.858 2.416 10 30 EEEEHM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]c1cc(C#N)cc(F)c1C ZINC000040828401 213392221 /nfs/dbraw/zinc/39/22/21/213392221.db2.gz OBSMCAVKQCHXGQ-UHFFFAOYSA-N -1 3 327.362 2.277 10 30 EEEEHM C=CCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000279892399 201321882 /nfs/dbraw/zinc/32/18/82/201321882.db2.gz UTHKNTOGGSQAEJ-UHFFFAOYSA-N -1 3 343.879 2.050 10 30 EEEEHM C=CCOc1ccc(CN[C@H](Cn2nc(C)cc2C)C(=O)[O-])cc1 ZINC000426746389 241335716 /nfs/dbraw/zinc/33/57/16/241335716.db2.gz JJDXROAOMMEHCU-QGZVFWFLSA-N -1 3 329.400 2.308 10 30 EEEEHM COc1cc(CNC(=O)c2c[n-]nc2-c2ccccn2)ccc1C#N ZINC000358971409 164026939 /nfs/dbraw/zinc/02/69/39/164026939.db2.gz MNLJXWCYUCPPJG-UHFFFAOYSA-N -1 3 333.351 2.282 10 30 EEEEHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000156746721 292559311 /nfs/dbraw/zinc/55/93/11/292559311.db2.gz CQTMCYXHRZPYNG-UHFFFAOYSA-N -1 3 327.818 2.455 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c1 ZINC000528450887 269963777 /nfs/dbraw/zinc/96/37/77/269963777.db2.gz QLJWNEDUKCHAHN-LLVKDONJSA-N -1 3 328.821 2.307 10 30 EEEEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287404080 266745187 /nfs/dbraw/zinc/74/51/87/266745187.db2.gz OPWWDLNUHWXLKX-IUCAKERBSA-N -1 3 347.234 2.022 10 30 EEEEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000566338396 319276141 /nfs/dbraw/zinc/27/61/41/319276141.db2.gz PRXNHQWWJYISJE-MFKMUULPSA-N -1 3 330.837 2.287 10 30 EEEEHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000339024249 465034044 /nfs/dbraw/zinc/03/40/44/465034044.db2.gz VQQCVDYOIZYIPG-INIZCTEOSA-N -1 3 340.420 2.058 10 30 EEEEHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000095393235 463074138 /nfs/dbraw/zinc/07/41/38/463074138.db2.gz WEHZRQWFGZAKIU-HRDYMLBCSA-N -1 3 345.325 2.449 10 30 EEEEHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000095393235 463074144 /nfs/dbraw/zinc/07/41/44/463074144.db2.gz WEHZRQWFGZAKIU-HRDYMLBCSA-N -1 3 345.325 2.449 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC[C@@H]1C#N ZINC000072270449 463491210 /nfs/dbraw/zinc/49/12/10/463491210.db2.gz AKPVXGFXTQSUDP-CJNGLKHVSA-N -1 3 327.384 2.422 10 30 EEEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000180857221 464408859 /nfs/dbraw/zinc/40/88/59/464408859.db2.gz WDDXUHARCLIPNO-GFCCVEGCSA-N -1 3 331.459 2.113 10 30 EEEEHM CCN(CC)[C@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccco1 ZINC000354124768 466344655 /nfs/dbraw/zinc/34/46/55/466344655.db2.gz OOYSVCZTKKFNSF-CQSZACIVSA-N -1 3 339.461 2.276 10 30 EEEEHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428370208 467225785 /nfs/dbraw/zinc/22/57/85/467225785.db2.gz ONAXKSDRCDCHOX-JTQLQIEISA-N -1 3 335.360 2.140 10 30 EEEEHM C[C@H](CC#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000597288060 468508029 /nfs/dbraw/zinc/50/80/29/468508029.db2.gz UJTFIAFMEOMNMJ-SNVBAGLBSA-N -1 3 341.408 2.391 10 30 EEEEHM N#Cc1ccc(CN2CCCN(c3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000592427413 468695740 /nfs/dbraw/zinc/69/57/40/468695740.db2.gz VGTKFGDECGEENO-UHFFFAOYSA-N -1 3 336.395 2.364 10 30 EEEEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)s1 ZINC000594869437 468712911 /nfs/dbraw/zinc/71/29/11/468712911.db2.gz KKTCULOEULPGFV-UHFFFAOYSA-N -1 3 342.442 2.287 10 30 EEEEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000595392105 468836719 /nfs/dbraw/zinc/83/67/19/468836719.db2.gz JTYHPCXBRLCSKE-SNVBAGLBSA-N -1 3 328.821 2.305 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC ZINC000601502616 468897883 /nfs/dbraw/zinc/89/78/83/468897883.db2.gz RGIIPCDAGDTWRB-CYBMUJFWSA-N -1 3 349.811 2.406 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000593568171 469040077 /nfs/dbraw/zinc/04/00/77/469040077.db2.gz UVJNXSPIOWMYLK-HONMWMINSA-N -1 3 338.454 2.246 10 30 EEEEHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593587703 469048056 /nfs/dbraw/zinc/04/80/56/469048056.db2.gz XINQNZDYIGRHIX-ZDUSSCGKSA-N -1 3 327.475 2.018 10 30 EEEEHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593600224 469053321 /nfs/dbraw/zinc/05/33/21/469053321.db2.gz CJEZYBAQRLHWQY-MNOVXSKESA-N -1 3 342.442 2.020 10 30 EEEEHM C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616020348 469354984 /nfs/dbraw/zinc/35/49/84/469354984.db2.gz LBBNTQHJHGABBC-HNNXBMFYSA-N -1 3 327.384 2.028 10 30 EEEEHM C=CC[C@@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000628486435 470111977 /nfs/dbraw/zinc/11/19/77/470111977.db2.gz IKPMSAASZMLRAR-LLVKDONJSA-N -1 3 326.393 2.235 10 30 EEEEHM N#CCC1(CS(=O)(=O)[N-]CC(=O)c2ccc(F)cc2Cl)CC1 ZINC000625608474 470166552 /nfs/dbraw/zinc/16/65/52/470166552.db2.gz QEMGIJVVAAFBIP-UHFFFAOYSA-N -1 3 344.795 2.275 10 30 EEEEHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451958891 535361967 /nfs/dbraw/zinc/36/19/67/535361967.db2.gz AHSCBASBLQRIGP-LBPRGKRZSA-N -1 3 348.346 2.280 10 30 EEEEHM C#CCN(CC#C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000767987135 577548729 /nfs/dbraw/zinc/54/87/29/577548729.db2.gz APVWHRKBOOHJOX-UHFFFAOYSA-N -1 3 348.280 2.135 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCCC(C)(C)[C@@H]1C#N ZINC000769893423 577586605 /nfs/dbraw/zinc/58/66/05/577586605.db2.gz OLRVIMQIDRTNFI-HIFRSBDPSA-N -1 3 329.448 2.229 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)C1(C#N)CCCCC1 ZINC000744861290 577904440 /nfs/dbraw/zinc/90/44/40/577904440.db2.gz CGMVYNMATGKYIS-ZDUSSCGKSA-N -1 3 344.415 2.232 10 30 EEEEHM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000742032511 578126749 /nfs/dbraw/zinc/12/67/49/578126749.db2.gz WWYNQXANLCJNLK-GFCCVEGCSA-N -1 3 326.393 2.226 10 30 EEEEHM CC1(C)CC[C@@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904186244 694315171 /nfs/dbraw/zinc/31/51/71/694315171.db2.gz SFWSJFXGFLOVAE-CQSZACIVSA-N -1 3 330.384 2.327 10 30 EEEEHM C=CCC1(C(=O)N[C@@H]2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001268294208 1182187928 /nfs/dbraw/zinc/18/79/28/1182187928.db2.gz LSLWVWPFMHYEKZ-UONOGXRCSA-N -1 3 347.463 2.021 10 30 EEEEHM O=C(c1cnc2sccn2c1=O)N([O-])Cc1ccccc1Cl ZINC001649041830 1193487804 /nfs/dbraw/zinc/48/78/04/1193487804.db2.gz YMEKNGLVAOQMSE-UHFFFAOYSA-N -1 3 335.772 2.441 10 30 EEEEHM CC(C)(C)c1coc(C=N[N-]S(=O)(=O)CCc2ccccc2)n1 ZINC000905451935 1189721296 /nfs/dbraw/zinc/72/12/96/1189721296.db2.gz YMUGEJLCLPTGDH-UHFFFAOYSA-N -1 3 335.429 2.468 10 30 EEEEHM C=CCCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001487354894 1197370665 /nfs/dbraw/zinc/37/06/65/1197370665.db2.gz MNYFRGQDECMDNX-WMLDXEAASA-N -1 3 346.427 2.094 10 30 EEEEHM Cc1ncc(CO)c(/C=N/CCOC(F)(F)C(F)(F)F)c1[O-] ZINC000871596728 1197787010 /nfs/dbraw/zinc/78/70/10/1197787010.db2.gz BWQYSGBOZAKNEP-BLLMUTORSA-N -1 3 328.237 2.179 10 30 EEEEHM CC(=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1)c1cn[nH]c1 ZINC000794845868 1198256365 /nfs/dbraw/zinc/25/63/65/1198256365.db2.gz AJMODWQDZZIXIK-CYBMUJFWSA-N -1 3 342.384 2.075 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccnc(Cl)c2s1 ZINC000868563947 1201835754 /nfs/dbraw/zinc/83/57/54/1201835754.db2.gz YLYXXQOOLXKUDM-MRVPVSSYSA-N -1 3 325.777 2.060 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCOCC1 ZINC000885838791 1202446324 /nfs/dbraw/zinc/44/63/24/1202446324.db2.gz RRYYUJXMIWRNOK-UHFFFAOYSA-N -1 3 329.368 2.124 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]CC(=O)Nc1ccccc1 ZINC001412432006 1205723694 /nfs/dbraw/zinc/72/36/94/1205723694.db2.gz PMLDBVZTKTYYAA-UHFFFAOYSA-N -1 3 329.306 2.405 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000798471705 1305006522 /nfs/dbraw/zinc/00/65/22/1305006522.db2.gz BVVRAHYWHOFEHD-JTQLQIEISA-N -1 3 330.793 2.493 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(CCC#N)CC1CC1 ZINC001263288134 1322452738 /nfs/dbraw/zinc/45/27/38/1322452738.db2.gz HPWHIWVYIKAFRX-UHFFFAOYSA-N -1 3 346.826 2.423 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(CCC#N)CC1CC1 ZINC001263288134 1322452742 /nfs/dbraw/zinc/45/27/42/1322452742.db2.gz HPWHIWVYIKAFRX-UHFFFAOYSA-N -1 3 346.826 2.423 10 30 EEEEHM N#CCNC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC001264038137 1322595231 /nfs/dbraw/zinc/59/52/31/1322595231.db2.gz FKXIXLMPPIIJLN-WCQYABFASA-N -1 3 341.333 2.146 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNCC(Cl)=CCl)cc(=O)[n-]1 ZINC001264580541 1322737465 /nfs/dbraw/zinc/73/74/65/1322737465.db2.gz YIJNXSRBNGOETL-UXBLZVDNSA-N -1 3 345.230 2.173 10 30 EEEEHM C=CCC1(C(=O)N(C)C2CCC(NC(=O)c3cn[n-]n3)CC2)CCC1 ZINC001280369456 1324180412 /nfs/dbraw/zinc/18/04/12/1324180412.db2.gz VWQAPACPAFNLTF-UHFFFAOYSA-N -1 3 345.447 2.051 10 30 EEEEHM CN(C[C@H]1CCN1C(=O)c1ccccc1[O-])C(=O)C#CC(C)(C)C ZINC001282031889 1325585483 /nfs/dbraw/zinc/58/54/83/1325585483.db2.gz AVKGELWBEUNTAE-CQSZACIVSA-N -1 3 328.412 2.115 10 30 EEEEHM C#CCC1(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C(C)C)CCC1 ZINC001285306778 1326949496 /nfs/dbraw/zinc/94/94/96/1326949496.db2.gz OPNOHQVOOMLKMT-INIZCTEOSA-N -1 3 342.439 2.456 10 30 EEEEHM C[C@@H](CCCNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001286900660 1327436594 /nfs/dbraw/zinc/43/65/94/1327436594.db2.gz KPHSFAWXBYUZRY-AWEZNQCLSA-N -1 3 330.428 2.456 10 30 EEEEHM CCN(CC#Cc1ccc(F)cc1)CCNC(=O)c1ncccc1[O-] ZINC001317474649 1331580759 /nfs/dbraw/zinc/58/07/59/1331580759.db2.gz NHWLPCBMXFPGIX-UHFFFAOYSA-N -1 3 341.386 2.030 10 30 EEEEHM C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001337177320 1336657371 /nfs/dbraw/zinc/65/73/71/1336657371.db2.gz WLNAQVWFDGGSTA-GFCCVEGCSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC2(CC2)CC1 ZINC001340341854 1337163762 /nfs/dbraw/zinc/16/37/62/1337163762.db2.gz DCGKKQUUWQPFAS-UHFFFAOYSA-N -1 3 326.404 2.397 10 30 EEEEHM Cn1cc(C#N)c([N-]C(=O)c2nnn(-c3ccccc3)c2C(F)F)n1 ZINC001435359413 1341985994 /nfs/dbraw/zinc/98/59/94/1341985994.db2.gz JEUYCVLXRJCZSZ-UHFFFAOYSA-N -1 3 343.297 2.062 10 30 EEEEHM C=C(C)CN(C)CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C(C)C ZINC001677215234 1357295251 /nfs/dbraw/zinc/29/52/51/1357295251.db2.gz GXVHKAOIMQZYSH-UHFFFAOYSA-N -1 3 332.404 2.287 10 30 EEEEHM C=C[C@@](C)(O)CC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001680920944 1357930203 /nfs/dbraw/zinc/93/02/03/1357930203.db2.gz WGKMBWMROZIKOA-LJQANCHMSA-N -1 3 348.443 2.028 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(OCc2cccs2)c1 ZINC000816692026 784201123 /nfs/dbraw/zinc/20/11/23/784201123.db2.gz DZVYOQOWSVSVSU-CQSZACIVSA-N -1 3 332.381 2.047 10 30 EEEEHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H]1CCCN([O-])C1=O ZINC000816760025 784247718 /nfs/dbraw/zinc/24/77/18/784247718.db2.gz ZXUQRXSWHQURLI-CJNGLKHVSA-N -1 3 332.400 2.002 10 30 EEEEHM C#CCC1(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCOCC1 ZINC000925429684 797669567 /nfs/dbraw/zinc/66/95/67/797669567.db2.gz IMIWOHXTHJAUDY-UHFFFAOYSA-N -1 3 346.333 2.109 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cn1 ZINC001179954169 800210059 /nfs/dbraw/zinc/21/00/59/800210059.db2.gz HNXCHNBKXSQRDY-UHFFFAOYSA-N -1 3 346.346 2.395 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cn1 ZINC001179954169 800210063 /nfs/dbraw/zinc/21/00/63/800210063.db2.gz HNXCHNBKXSQRDY-UHFFFAOYSA-N -1 3 346.346 2.395 10 30 EEEEHM N#Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Br ZINC001130036718 811106532 /nfs/dbraw/zinc/10/65/32/811106532.db2.gz MXYRLLHUMNBXOJ-UHFFFAOYSA-N -1 3 337.089 2.469 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCCCN(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001492990430 1107274091 /nfs/dbraw/zinc/27/40/91/1107274091.db2.gz MHBUPPYMEWCELY-UHFFFAOYSA-N -1 3 348.447 2.061 10 30 EEEEHM Cc1cc(C#N)cc(N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001458458296 1109876013 /nfs/dbraw/zinc/87/60/13/1109876013.db2.gz UYUKITHTKBVQEK-NEPJUHHUSA-N -1 3 325.372 2.438 10 30 EEEEHM Cc1ccc(-c2nc(NC(=O)c3cnn(CCC#N)c3C)n[n-]2)o1 ZINC001472526040 1110558154 /nfs/dbraw/zinc/55/81/54/1110558154.db2.gz FJFWQMNFCPILSH-UHFFFAOYSA-N -1 3 325.332 2.044 10 30 EEEEHM CC#CCCCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001514907111 1118910245 /nfs/dbraw/zinc/91/02/45/1118910245.db2.gz ACSXWOFSFPNRNL-GASCZTMLSA-N -1 3 328.412 2.210 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000356384932 238215893 /nfs/dbraw/zinc/21/58/93/238215893.db2.gz GGYBDTSEPZWWRT-CYBMUJFWSA-N -1 3 342.486 2.483 10 30 EEEEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416373930 239208361 /nfs/dbraw/zinc/20/83/61/239208361.db2.gz PJOKUOZEXAFRSD-SCZZXKLOSA-N -1 3 329.219 2.255 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000125335776 292295759 /nfs/dbraw/zinc/29/57/59/292295759.db2.gz HGMBCVKOSWRGFC-ZDUSSCGKSA-N -1 3 340.401 2.079 10 30 EEEEHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cs1 ZINC000489245432 270020949 /nfs/dbraw/zinc/02/09/49/270020949.db2.gz AHARPRJLKWWCOS-JTQLQIEISA-N -1 3 336.442 2.320 10 30 EEEEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530674689 268039396 /nfs/dbraw/zinc/03/93/96/268039396.db2.gz DVAJNSVZJAQIMA-UHFFFAOYSA-N -1 3 343.408 2.419 10 30 EEEEHM CCC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000579968301 323967964 /nfs/dbraw/zinc/96/79/64/323967964.db2.gz QNVFUBMDPIASRQ-BZNIZROVSA-N -1 3 333.432 2.122 10 30 EEEEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000339035833 465041519 /nfs/dbraw/zinc/04/15/19/465041519.db2.gz YMPFWPJJNWKDRD-MRVPVSSYSA-N -1 3 335.198 2.347 10 30 EEEEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000056049309 463373013 /nfs/dbraw/zinc/37/30/13/463373013.db2.gz CGWAZIHPAXALPX-VIFPVBQESA-N -1 3 338.820 2.293 10 30 EEEEHM CCCO[C@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000071835083 463436577 /nfs/dbraw/zinc/43/65/77/463436577.db2.gz XFEBMMMWHVRLFG-HNNXBMFYSA-N -1 3 345.443 2.214 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)Nc1ccccc1 ZINC000352862772 465561106 /nfs/dbraw/zinc/56/11/06/465561106.db2.gz QBBNBJPDXGSKRM-CYBMUJFWSA-N -1 3 335.429 2.017 10 30 EEEEHM COc1cc(CNCc2ccc(C#N)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC000353230856 465731862 /nfs/dbraw/zinc/73/18/62/465731862.db2.gz UALHVDPYBDSJAJ-UHFFFAOYSA-N -1 3 343.339 2.479 10 30 EEEEHM CNC(=O)c1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000361529971 466079018 /nfs/dbraw/zinc/07/90/18/466079018.db2.gz HKVSUQNVAMYVOV-HNNXBMFYSA-N -1 3 330.347 2.479 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)CCC1 ZINC000354104475 466341423 /nfs/dbraw/zinc/34/14/23/466341423.db2.gz PACASDJLNXMCPQ-CQSZACIVSA-N -1 3 337.445 2.030 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c1 ZINC000313795943 466544634 /nfs/dbraw/zinc/54/46/34/466544634.db2.gz LAQQUKRBUWAAPC-RYUDHWBXSA-N -1 3 328.821 2.041 10 30 EEEEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C#N)o2)cc1OC ZINC000428138800 467207015 /nfs/dbraw/zinc/20/70/15/467207015.db2.gz CSQFBBNMEJBILO-UHFFFAOYSA-N -1 3 349.368 2.174 10 30 EEEEHM COC(=O)c1ccc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)s1 ZINC000420735292 467467583 /nfs/dbraw/zinc/46/75/83/467467583.db2.gz KCQFCZKLVFRDES-UHFFFAOYSA-N -1 3 342.442 2.038 10 30 EEEEHM CC(C)(CO)[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1cccs1 ZINC000582268898 468514850 /nfs/dbraw/zinc/51/48/50/468514850.db2.gz IEVVHQYTFUDMTA-CYBMUJFWSA-N -1 3 342.486 2.421 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000592104911 468626461 /nfs/dbraw/zinc/62/64/61/468626461.db2.gz AWFPUXLJTZWBDR-UHFFFAOYSA-N -1 3 341.364 2.273 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000594756746 468675420 /nfs/dbraw/zinc/67/54/20/468675420.db2.gz ACHUKHJAXJQKMP-GXSJLCMTSA-N -1 3 338.454 2.377 10 30 EEEEHM N#CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000597905896 468707197 /nfs/dbraw/zinc/70/71/97/468707197.db2.gz HVTRFDDJGOPYLF-ZBFHGGJFSA-N -1 3 341.411 2.149 10 30 EEEEHM N#CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000594869084 468713137 /nfs/dbraw/zinc/71/31/37/468713137.db2.gz BOCLSMNAZRCNBD-UHFFFAOYSA-N -1 3 341.364 2.486 10 30 EEEEHM N#CCC1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000598034352 468744648 /nfs/dbraw/zinc/74/46/48/468744648.db2.gz SLBITXCYMDBUAV-UHFFFAOYSA-N -1 3 346.184 2.276 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000593564062 469038436 /nfs/dbraw/zinc/03/84/36/469038436.db2.gz KETZKSYFIALLQV-ZENOOKHLSA-N -1 3 330.434 2.484 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(C1)CC(F)(F)C2 ZINC000610968299 469126867 /nfs/dbraw/zinc/12/68/67/469126867.db2.gz RZECXEGUOVFSKI-UHFFFAOYSA-N -1 3 335.354 2.466 10 30 EEEEHM COC(=O)[C@]1([N-]S(=O)(=O)CCCCC#N)CCCC(C)(C)C1 ZINC000599412374 469247336 /nfs/dbraw/zinc/24/73/36/469247336.db2.gz LNCOGUGBKSUXSF-HNNXBMFYSA-N -1 3 330.450 2.112 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599483750 469272144 /nfs/dbraw/zinc/27/21/44/469272144.db2.gz WCNHNMOYAJBMQJ-ZWNOBZJWSA-N -1 3 326.805 2.057 10 30 EEEEHM C=CC[C@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000599526054 469284380 /nfs/dbraw/zinc/28/43/80/469284380.db2.gz CORGXRSDPZJHFY-NSHDSACASA-N -1 3 347.440 2.478 10 30 EEEEHM C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000646142941 470542380 /nfs/dbraw/zinc/54/23/80/470542380.db2.gz FTRPDYUPCXSGTN-XHSDSOJGSA-N -1 3 337.464 2.238 10 30 EEEEHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C#N)cc2)c([O-])c1 ZINC000726206416 576247867 /nfs/dbraw/zinc/24/78/67/576247867.db2.gz QCZWMCBIJSTFNI-UHFFFAOYSA-N -1 3 338.363 2.436 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(C)c1C1CC1 ZINC000771492022 577215653 /nfs/dbraw/zinc/21/56/53/577215653.db2.gz MGDDMKVDWINUEQ-UHFFFAOYSA-N -1 3 339.399 2.458 10 30 EEEEHM C=C(COC(=O)c1cccc(Br)c1[O-])C(=O)OCC ZINC000734033673 577271673 /nfs/dbraw/zinc/27/16/73/577271673.db2.gz UYXORTDPAACWGK-UHFFFAOYSA-N -1 3 329.146 2.431 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)c1cc(C#N)cs1 ZINC000752585656 577773211 /nfs/dbraw/zinc/77/32/11/577773211.db2.gz BGQHKTIVXYRIHL-JTQLQIEISA-N -1 3 344.396 2.005 10 30 EEEEHM Cc1nn(C)c(C)c1-c1cc(C(=O)OCc2ccnc(C#N)c2)n[n-]1 ZINC000754714047 577811277 /nfs/dbraw/zinc/81/12/77/577811277.db2.gz ABWJKNDYXQSAMX-UHFFFAOYSA-N -1 3 336.355 2.051 10 30 EEEEHM COC(=O)[C@@H](C/N=C\c1c([O-])c(C)ncc1CO)Cc1ccccc1 ZINC000905003482 694499214 /nfs/dbraw/zinc/49/92/14/694499214.db2.gz WXRXOIYVASEQAZ-UWOKGBPVSA-N -1 3 342.395 2.039 10 30 EEEEHM C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001691297882 1177851500 /nfs/dbraw/zinc/85/15/00/1177851500.db2.gz MRVLLUQQXPDYLO-KBPBESRZSA-N -1 3 349.479 2.219 10 30 EEEEHM C=CC(C)(C)CC(=O)N(C)CC[C@@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001487062208 1197166693 /nfs/dbraw/zinc/16/66/93/1197166693.db2.gz ATMKAMILXBAXIM-CYBMUJFWSA-N -1 3 335.452 2.010 10 30 EEEEHM Cc1cc(=O)[n-]c(CNC(=O)c2cccc(C#N)c2Br)n1 ZINC001412301990 1205689882 /nfs/dbraw/zinc/68/98/82/1205689882.db2.gz WYROAQAXDAMBQB-UHFFFAOYSA-N -1 3 347.172 2.055 10 30 EEEEHM C=CCN(CC(=O)[O-])Cc1ccccc1N1CCN(CCC)CC1 ZINC000901586057 1236005410 /nfs/dbraw/zinc/00/54/10/1236005410.db2.gz JWKYDXKOIHOGOM-UHFFFAOYSA-N -1 3 331.460 2.291 10 30 EEEEHM N#CC1([N-]S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903101495 1239735008 /nfs/dbraw/zinc/73/50/08/1239735008.db2.gz FDEWUZMSXNEPDM-UHFFFAOYSA-N -1 3 333.182 2.064 10 30 EEEEHM C#CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC001213680805 1296135206 /nfs/dbraw/zinc/13/52/06/1296135206.db2.gz YWDKVVXYVXPRPB-LLVKDONJSA-N -1 3 332.878 2.086 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001214057209 1296283154 /nfs/dbraw/zinc/28/31/54/1296283154.db2.gz TTYVJXCGPFFKLQ-GUYCJALGSA-N -1 3 337.441 2.448 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](OC)CC[C@H]1C ZINC001122585203 1310340564 /nfs/dbraw/zinc/34/05/64/1310340564.db2.gz AVEVJGLGEJYVPC-VXGBXAGGSA-N -1 3 333.392 2.219 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001265306682 1323055959 /nfs/dbraw/zinc/05/59/59/1323055959.db2.gz VDDPXJRNBYARAT-CQSZACIVSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N[C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001297403757 1329969124 /nfs/dbraw/zinc/96/91/24/1329969124.db2.gz BARYEBONKSPWAH-STQMWFEESA-N -1 3 343.431 2.185 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC#N)C(F)(F)F)c1 ZINC001303849712 1331368194 /nfs/dbraw/zinc/36/81/94/1331368194.db2.gz VSSQVAHWSDUYEF-NSHDSACASA-N -1 3 327.262 2.091 10 30 EEEEHM C=C(Cl)CN(C)CCOCCN(C)C(=O)c1ccccc1[O-] ZINC001316762292 1331878607 /nfs/dbraw/zinc/87/86/07/1331878607.db2.gz YOCCGXRVRGWIDX-UHFFFAOYSA-N -1 3 326.824 2.165 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCn2cccc2C1 ZINC001341868186 1337303217 /nfs/dbraw/zinc/30/32/17/1337303217.db2.gz IVVQIUUBILSFDX-UHFFFAOYSA-N -1 3 344.810 2.114 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCn2cccc2C1 ZINC001341868186 1337303222 /nfs/dbraw/zinc/30/32/22/1337303222.db2.gz IVVQIUUBILSFDX-UHFFFAOYSA-N -1 3 344.810 2.114 10 30 EEEEHM C#C[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC(C)C)C1 ZINC001344519676 1337398934 /nfs/dbraw/zinc/39/89/34/1337398934.db2.gz NZCNBYNEGYDHMS-LLVKDONJSA-N -1 3 333.827 2.222 10 30 EEEEHM C#C[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC(C)C)C1 ZINC001344519676 1337398936 /nfs/dbraw/zinc/39/89/36/1337398936.db2.gz NZCNBYNEGYDHMS-LLVKDONJSA-N -1 3 333.827 2.222 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N(C)CCN(C(=O)c1cnc[n-]c1=O)C(C)C ZINC001572508899 1343503648 /nfs/dbraw/zinc/50/36/48/1343503648.db2.gz YUPYRHKUYBEPCP-CQSZACIVSA-N -1 3 348.447 2.094 10 30 EEEEHM CC(C)(C)C#CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001678770855 1357561196 /nfs/dbraw/zinc/56/11/96/1357561196.db2.gz ANJNEUUFOUVKQZ-INIZCTEOSA-N -1 3 342.439 2.409 10 30 EEEEHM C#C[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)[C@@H]1CCCO1 ZINC001661508914 1354646991 /nfs/dbraw/zinc/64/69/91/1354646991.db2.gz JRDZIHBWFYFKOY-KBPBESRZSA-N -1 3 348.449 2.269 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000921382746 773318170 /nfs/dbraw/zinc/31/81/70/773318170.db2.gz IURDAQQNPAYXJQ-VXGBXAGGSA-N -1 3 339.404 2.239 10 30 EEEEHM CC(C)(C)c1ccc(OCCCC(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000816693723 784200960 /nfs/dbraw/zinc/20/09/60/784200960.db2.gz QOIOZVQKZGAQBG-OAHLLOKOSA-N -1 3 334.416 2.249 10 30 EEEEHM CC(C)COc1ccc(C(C)(C)C(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000820179071 785823511 /nfs/dbraw/zinc/82/35/11/785823511.db2.gz FIKCJDYNEYFENT-OAHLLOKOSA-N -1 3 334.416 2.105 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)CC2CCCCCC2)n1 ZINC001565991727 1125486946 /nfs/dbraw/zinc/48/69/46/1125486946.db2.gz SDKRTDJFGMIRGA-UHFFFAOYSA-N -1 3 344.459 2.272 10 30 EEEEHM Cn1nc(C(=O)N([O-])Cc2ccc(F)cc2)cc1Br ZINC001472622762 1110560689 /nfs/dbraw/zinc/56/06/89/1110560689.db2.gz PRVBKCVNYUCCSM-UHFFFAOYSA-N -1 3 328.141 2.353 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)nn1 ZINC001520990051 1119206502 /nfs/dbraw/zinc/20/65/02/1119206502.db2.gz LAWQMTDBESNJPG-UHFFFAOYSA-N -1 3 344.375 2.298 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(C#N)ccc2F)c1 ZINC001544653232 1124162480 /nfs/dbraw/zinc/16/24/80/1124162480.db2.gz LGWXHTGKRXPLHK-UHFFFAOYSA-N -1 3 339.326 2.457 10 30 EEEEHM CCC[C@@]1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCOC1 ZINC000285366207 201331512 /nfs/dbraw/zinc/33/15/12/201331512.db2.gz QQKYTSXPOGDGAQ-CQSZACIVSA-N -1 3 328.821 2.449 10 30 EEEEHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)CCO1 ZINC000451820128 243279420 /nfs/dbraw/zinc/27/94/20/243279420.db2.gz XQEYFCHTXBCDEN-AAEUAGOBSA-N -1 3 328.459 2.349 10 30 EEEEHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000075697428 159077130 /nfs/dbraw/zinc/07/71/30/159077130.db2.gz KEPYDSYAXHYANJ-NSHDSACASA-N -1 3 334.339 2.144 10 30 EEEEHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000075697428 159077132 /nfs/dbraw/zinc/07/71/32/159077132.db2.gz KEPYDSYAXHYANJ-NSHDSACASA-N -1 3 334.339 2.144 10 30 EEEEHM CCn1nc(C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000530126738 267260502 /nfs/dbraw/zinc/26/05/02/267260502.db2.gz MVJFUWYOXMHLHX-UHFFFAOYSA-N -1 3 327.388 2.372 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(Cl)c1 ZINC000528452984 268255800 /nfs/dbraw/zinc/25/58/00/268255800.db2.gz XZKRXNMYARKHEX-LLVKDONJSA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528558943 268324489 /nfs/dbraw/zinc/32/44/89/268324489.db2.gz UADCBWYIFLBVOA-XFBWCDHKSA-N -1 3 345.811 2.223 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc2ncccc2c1Cl ZINC000529430542 317591406 /nfs/dbraw/zinc/59/14/06/317591406.db2.gz YGCOUNDIIXOKDT-QMMMGPOBSA-N -1 3 325.777 2.060 10 30 EEEEHM O=C(NC[C@@H]1CCCCN1CCO)c1cc(F)cc(Cl)c1[O-] ZINC000331329985 466033746 /nfs/dbraw/zinc/03/37/46/466033746.db2.gz OGEXTGBJXCRHIA-NSHDSACASA-N -1 3 330.787 2.336 10 30 EEEEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)O1 ZINC000494271927 468041650 /nfs/dbraw/zinc/04/16/50/468041650.db2.gz UVBQREKQAGKIGI-CYBMUJFWSA-N -1 3 326.393 2.074 10 30 EEEEHM CCn1cnc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594481294 468601654 /nfs/dbraw/zinc/60/16/54/468601654.db2.gz IYTJDWRTNZZBFG-UHFFFAOYSA-N -1 3 330.413 2.132 10 30 EEEEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000594801244 468691603 /nfs/dbraw/zinc/69/16/03/468691603.db2.gz LNKXQICSAQWXRO-CQSZACIVSA-N -1 3 326.393 2.181 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000595209777 468785692 /nfs/dbraw/zinc/78/56/92/468785692.db2.gz QCNMDUCREYBAJM-PHIMTYICSA-N -1 3 334.397 2.183 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)OC ZINC000601503189 468898342 /nfs/dbraw/zinc/89/83/42/468898342.db2.gz ZQVYTOCACHJPTG-GFCCVEGCSA-N -1 3 347.820 2.135 10 30 EEEEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C12CCC2 ZINC000593553661 469032791 /nfs/dbraw/zinc/03/27/91/469032791.db2.gz UKUHYWUYKYJODL-QWHCGFSZSA-N -1 3 326.443 2.246 10 30 EEEEHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574038 469042654 /nfs/dbraw/zinc/04/26/54/469042654.db2.gz XJBMNJSWRHQXIB-VXGBXAGGSA-N -1 3 328.459 2.492 10 30 EEEEHM C[C@@]1(C[N-]S(=O)(=O)c2ccsc2C#N)CCO[C@@H]1C1CC1 ZINC000593579351 469045047 /nfs/dbraw/zinc/04/50/47/469045047.db2.gz WJWOVOUERFVRNJ-KGLIPLIRSA-N -1 3 326.443 2.103 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2CO1 ZINC000599370289 469232088 /nfs/dbraw/zinc/23/20/88/469232088.db2.gz QVDVQUGPIVOMCG-ZDUSSCGKSA-N -1 3 334.422 2.040 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632589819 470249082 /nfs/dbraw/zinc/24/90/82/470249082.db2.gz YUBZKWZGBWCUDA-UHFFFAOYSA-N -1 3 325.356 2.320 10 30 EEEEHM CC(C)c1ccc(Cn2[n-]ccc2=NC(=O)Cn2ccnc2C#N)cc1 ZINC000770644986 577600814 /nfs/dbraw/zinc/60/08/14/577600814.db2.gz MINOTKAABCMQOP-UHFFFAOYSA-N -1 3 348.410 2.184 10 30 EEEEHM [O-]c1c(O)ccc(/C=N\Cc2ccc(CN3CCOCC3)cc2)c1O ZINC000743341230 577883276 /nfs/dbraw/zinc/88/32/76/577883276.db2.gz VNFJVWZQPPVHCW-NDENLUEZSA-N -1 3 342.395 2.255 10 30 EEEEHM O=C(OCC#Cc1ccccc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000747050176 577938467 /nfs/dbraw/zinc/93/84/67/577938467.db2.gz IUNJUIZUMHMXAC-UHFFFAOYSA-N -1 3 339.734 2.432 10 30 EEEEHM N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)CC2)c1 ZINC000898220926 691899318 /nfs/dbraw/zinc/89/93/18/691899318.db2.gz FPHHBXHTUPEMPM-LBPRGKRZSA-N -1 3 340.358 2.174 10 30 EEEEHM O=C(C#CC1CC1)N[C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001719589329 1176576862 /nfs/dbraw/zinc/57/68/62/1176576862.db2.gz MEWBTXWTKLRNKB-MRXNPFEDSA-N -1 3 340.423 2.307 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNCC=C(Cl)Cl)cc(=O)[n-]1 ZINC001691415099 1178022295 /nfs/dbraw/zinc/02/22/95/1178022295.db2.gz RWEFOEHMMQZCKF-UHFFFAOYSA-N -1 3 345.230 2.173 10 30 EEEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)C2(C)CC2)CC1 ZINC001748022474 1182574456 /nfs/dbraw/zinc/57/44/56/1182574456.db2.gz KZCQMRMOMWSWIK-UHFFFAOYSA-N -1 3 340.423 2.259 10 30 EEEEHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@]1(C#N)CCSC1 ZINC001126998437 1189915338 /nfs/dbraw/zinc/91/53/38/1189915338.db2.gz QDEUVMZXQRDICJ-AWEZNQCLSA-N -1 3 339.367 2.252 10 30 EEEEHM C#CCN(Cc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCc2ccccc21 ZINC000877990584 1200202580 /nfs/dbraw/zinc/20/25/80/1200202580.db2.gz HUNHUQJWSUKFFO-GOSISDBHSA-N -1 3 335.407 2.378 10 30 EEEEHM C=CCCC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC001133172094 1200525750 /nfs/dbraw/zinc/52/57/50/1200525750.db2.gz WEKWBHFZEXIYNI-LBPRGKRZSA-N -1 3 328.372 2.297 10 30 EEEEHM C#C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000813141936 1201113183 /nfs/dbraw/zinc/11/31/83/1201113183.db2.gz ARPJTJNVMHPOIZ-SNVBAGLBSA-N -1 3 341.268 2.136 10 30 EEEEHM C#CCN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000928653949 1206408085 /nfs/dbraw/zinc/40/80/85/1206408085.db2.gz HKEAGVKUCXQBSZ-UHFFFAOYSA-N -1 3 326.318 2.238 10 30 EEEEHM N#CC1(CC(=O)OCc2noc(-c3ccccc3[O-])n2)CCOCC1 ZINC000850299280 1277150152 /nfs/dbraw/zinc/15/01/52/1277150152.db2.gz ZVMGINFWVZMTKH-UHFFFAOYSA-N -1 3 343.339 2.196 10 30 EEEEHM Cc1cc(CC(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1-c1ccccc1 ZINC000854648790 1292905438 /nfs/dbraw/zinc/90/54/38/1292905438.db2.gz JYIWOBBLUIVLOR-KRWDZBQOSA-N -1 3 341.411 2.133 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CC(C)(C)C2)ccc1F ZINC000856338493 1293489173 /nfs/dbraw/zinc/48/91/73/1293489173.db2.gz XOKWEJCEUSRFJE-UHFFFAOYSA-N -1 3 340.420 2.208 10 30 EEEEHM O=C([C@H]1CCC2N=NC(=O)N2C1)N([O-])Cc1cccc2ccccc21 ZINC001161842692 1320643422 /nfs/dbraw/zinc/64/34/22/1320643422.db2.gz LZBIBQYMEITIHY-AWEZNQCLSA-N -1 3 338.367 2.117 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001281442208 1325099063 /nfs/dbraw/zinc/09/90/63/1325099063.db2.gz GQNYRJBFXROFTD-OLZOCXBDSA-N -1 3 343.431 2.327 10 30 EEEEHM CC(C)C#CC(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001281531841 1325233776 /nfs/dbraw/zinc/23/37/76/1325233776.db2.gz MZIVAGBIMLERDF-UHFFFAOYSA-N -1 3 328.412 2.068 10 30 EEEEHM C=C[C@H](CC)CC(=O)NC[C@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC001285265429 1326933707 /nfs/dbraw/zinc/93/37/07/1326933707.db2.gz MCIPEZWWYZBYEZ-HIFRSBDPSA-N -1 3 347.463 2.202 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001627091489 1352483181 /nfs/dbraw/zinc/48/31/81/1352483181.db2.gz PTYXKLFELSFMBI-CHWSQXEVSA-N -1 3 337.379 2.162 10 30 EEEEHM Cn1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c1Br ZINC001639079011 1352694336 /nfs/dbraw/zinc/69/43/36/1352694336.db2.gz XJTMFISXOLZLCF-UHFFFAOYSA-N -1 3 328.141 2.353 10 30 EEEEHM N#Cc1cccc(-c2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)on2)c1 ZINC001639639535 1352700012 /nfs/dbraw/zinc/70/00/12/1352700012.db2.gz FIPZWBPPZOMFTL-ZDUSSCGKSA-N -1 3 349.350 2.272 10 30 EEEEHM CCOC(OCC)[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001640960177 1352716291 /nfs/dbraw/zinc/71/62/91/1352716291.db2.gz LNDLSXHUBYBFEO-ZDUSSCGKSA-N -1 3 349.431 2.112 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(=O)OC ZINC001671557250 1356361959 /nfs/dbraw/zinc/36/19/59/1356361959.db2.gz MIZVASJFLLYCNW-OAHLLOKOSA-N -1 3 343.420 2.451 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001684060640 1358217469 /nfs/dbraw/zinc/21/74/69/1358217469.db2.gz OGZPYBADEDIYOE-HUUCEWRRSA-N -1 3 346.427 2.046 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000816692275 784200605 /nfs/dbraw/zinc/20/06/05/784200605.db2.gz KGDFPWYYKQYGDB-HOSYDEDBSA-N -1 3 329.183 2.203 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000816696411 784201966 /nfs/dbraw/zinc/20/19/66/784201966.db2.gz YALMDDOSVQMWPV-SDDRHHMPSA-N -1 3 329.183 2.203 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC000921647587 792534422 /nfs/dbraw/zinc/53/44/22/792534422.db2.gz NSFYPWNDUHHQRF-WFASDCNBSA-N -1 3 349.362 2.280 10 30 EEEEHM C=C(C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1 ZINC000805122275 811149039 /nfs/dbraw/zinc/14/90/39/811149039.db2.gz RMJPOXSOZACWEN-UHFFFAOYSA-N -1 3 325.821 2.374 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@]2(C)CCC[C@H]2CC)n1 ZINC001479604566 1098628469 /nfs/dbraw/zinc/62/84/69/1098628469.db2.gz NDZJPHFABWEURN-KUHUBIRLSA-N -1 3 344.459 2.128 10 30 EEEEHM CN(CCCCCCNCC#N)C(=O)c1nnc2ccccc2c1[O-] ZINC001479628093 1098655467 /nfs/dbraw/zinc/65/54/67/1098655467.db2.gz QPVXJEQMBFMYGJ-UHFFFAOYSA-N -1 3 341.415 2.081 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)OCC ZINC001464254634 1110390325 /nfs/dbraw/zinc/39/03/25/1110390325.db2.gz HPKXASBHHKJINM-GFCCVEGCSA-N -1 3 349.811 2.487 10 30 EEEEHM CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248507103 160348832 /nfs/dbraw/zinc/34/88/32/160348832.db2.gz YGDXEBUOJGSBCW-BXUZGUMPSA-N -1 3 341.864 2.219 10 30 EEEEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416468876 267521500 /nfs/dbraw/zinc/52/15/00/267521500.db2.gz BXIAKDVCOIGEJE-IUCAKERBSA-N -1 3 347.234 2.022 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435424579 268067006 /nfs/dbraw/zinc/06/70/06/268067006.db2.gz AOMSBOLKPDNDNI-JTQLQIEISA-N -1 3 328.440 2.002 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)c3cccc(O)c3[O-])CCOCC2)cc1 ZINC000530061727 268210466 /nfs/dbraw/zinc/21/04/66/268210466.db2.gz WEETVWODRVUNJJ-UHFFFAOYSA-N -1 3 338.363 2.405 10 30 EEEEHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(C#N)o3)n2)cc1 ZINC000350521656 312326562 /nfs/dbraw/zinc/32/65/62/312326562.db2.gz HPCVHSNQNMFQBD-UHFFFAOYSA-N -1 3 330.325 2.240 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000336845436 465051538 /nfs/dbraw/zinc/05/15/38/465051538.db2.gz AYVVQRPUTUCFIC-RYUDHWBXSA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1cc(C)nc(C(C#N)=C([O-])c2ccc(N3CCNC3=O)cc2)n1 ZINC000076317872 462841700 /nfs/dbraw/zinc/84/17/00/462841700.db2.gz WHRPVNLHFZGMTR-OAHLLOKOSA-N -1 3 335.367 2.113 10 30 EEEEHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)n[n-]1 ZINC000052779011 463105558 /nfs/dbraw/zinc/10/55/58/463105558.db2.gz WCUURKGBTOCIOX-LLVKDONJSA-N -1 3 343.387 2.325 10 30 EEEEHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000277050867 463857089 /nfs/dbraw/zinc/85/70/89/463857089.db2.gz QGNSPKQSNNGLMA-LLVKDONJSA-N -1 3 347.396 2.010 10 30 EEEEHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000287736578 463984116 /nfs/dbraw/zinc/98/41/16/463984116.db2.gz HPATWHXFSUHKRF-NSHDSACASA-N -1 3 336.417 2.451 10 30 EEEEHM C#CCC(CC#C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000289047121 464065362 /nfs/dbraw/zinc/06/53/62/464065362.db2.gz KUOUDWGROKUTLX-UHFFFAOYSA-N -1 3 338.407 2.232 10 30 EEEEHM CCCC[C@H](ON=C(C)C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000272556758 464658509 /nfs/dbraw/zinc/65/85/09/464658509.db2.gz BSSVRXMWEGRXCH-INIZCTEOSA-N -1 3 349.431 2.209 10 30 EEEEHM Cc1cc(C)n2nc(C(=O)[N-]c3nc4c(cc3C#N)CCCC4)nc2n1 ZINC000182667164 464705926 /nfs/dbraw/zinc/70/59/26/464705926.db2.gz LYIAGZZBDYMNJH-UHFFFAOYSA-N -1 3 347.382 2.139 10 30 EEEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000285900924 464735809 /nfs/dbraw/zinc/73/58/09/464735809.db2.gz RYQNDPWIBQDTMQ-KRWDZBQOSA-N -1 3 337.423 2.482 10 30 EEEEHM N#CC(=C([O-])c1ccc2n[nH]c(=O)n2c1)c1nccc2ccccc21 ZINC000361540591 466087095 /nfs/dbraw/zinc/08/70/95/466087095.db2.gz JPHOZZUZAQDQPI-AWEZNQCLSA-N -1 3 329.319 2.473 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C#N)c1C)C1CCOCC1 ZINC000592351981 468681622 /nfs/dbraw/zinc/68/16/22/468681622.db2.gz LEMMBGFNSUGHFS-MRXNPFEDSA-N -1 3 338.429 2.050 10 30 EEEEHM CC([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)(C1CC1)C1CC1 ZINC000595361093 468824923 /nfs/dbraw/zinc/82/49/23/468824923.db2.gz OHTPJERUMILONB-UHFFFAOYSA-N -1 3 335.385 2.323 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1ccccc1Cl)C(=O)OC ZINC000601501981 468897322 /nfs/dbraw/zinc/89/73/22/468897322.db2.gz RCRJXPNZTAVIIC-CQSZACIVSA-N -1 3 345.848 2.310 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@H](C)COC1CCCC1)C(=O)OC ZINC000601502417 468897352 /nfs/dbraw/zinc/89/73/52/468897352.db2.gz VDZXGIPKEACBFM-HIFRSBDPSA-N -1 3 347.477 2.009 10 30 EEEEHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccsc2C#N)n1 ZINC000593537258 469022996 /nfs/dbraw/zinc/02/29/96/469022996.db2.gz HRBSICGWYZDNDZ-UHFFFAOYSA-N -1 3 340.430 2.037 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000599325541 469211084 /nfs/dbraw/zinc/21/10/84/469211084.db2.gz GOHGZJCSDFMTIT-AWEZNQCLSA-N -1 3 326.393 2.126 10 30 EEEEHM C=CC(C)(C)CCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000628318450 485712383 /nfs/dbraw/zinc/71/23/83/485712383.db2.gz FNHFKTRIOBLITJ-UHFFFAOYSA-N -1 3 330.475 2.135 10 30 EEEEHM COC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F ZINC000775078401 577428972 /nfs/dbraw/zinc/42/89/72/577428972.db2.gz YKVOWIDDBZLIGQ-LBPRGKRZSA-N -1 3 336.335 2.112 10 30 EEEEHM COc1cccc(N2C[C@@H](/N=C\c3ccc(O)c([O-])c3O)CC2=O)c1 ZINC000750949701 577745807 /nfs/dbraw/zinc/74/58/07/577745807.db2.gz IAOYWQZWJKUNRA-AOPUEWEHSA-N -1 3 342.351 2.036 10 30 EEEEHM N#Cc1ccc(NCCNC(=O)c2ccc3c(c2[O-])CCCC3)nc1 ZINC000755016198 577818266 /nfs/dbraw/zinc/81/82/66/577818266.db2.gz YDKAPOOOWJFXCM-UHFFFAOYSA-N -1 3 336.395 2.380 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000896093407 684837634 /nfs/dbraw/zinc/83/76/34/684837634.db2.gz ACJZABMHKSQFDT-CYBMUJFWSA-N -1 3 333.436 2.053 10 30 EEEEHM C=CCCCC(=O)N(C)C[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001691656609 1193603443 /nfs/dbraw/zinc/60/34/43/1193603443.db2.gz KWKADJFEQDMANJ-MRXNPFEDSA-N -1 3 344.459 2.449 10 30 EEEEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000867862763 1201695722 /nfs/dbraw/zinc/69/57/22/1201695722.db2.gz TUTBTMAVRPIBIE-CYBMUJFWSA-N -1 3 333.438 2.023 10 30 EEEEHM CN(C)CCCS(=O)(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000867898402 1201701772 /nfs/dbraw/zinc/70/17/72/1201701772.db2.gz GITRTLZWSPUGAW-CYBMUJFWSA-N -1 3 349.378 2.033 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2nc(F)ccc21 ZINC000857898542 1293945904 /nfs/dbraw/zinc/94/59/04/1293945904.db2.gz XUTWMHRPWZNDNL-UHFFFAOYSA-N -1 3 340.358 2.332 10 30 EEEEHM Cn1[n-]ccc1=NN=C1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842529603 1315720640 /nfs/dbraw/zinc/72/06/40/1315720640.db2.gz DXFRQTSHMQQFDU-CHWSQXEVSA-N -1 3 333.436 2.277 10 30 EEEEHM C=C(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001280718359 1324435278 /nfs/dbraw/zinc/43/52/78/1324435278.db2.gz BYWVXHIYCUROFW-PBHICJAKSA-N -1 3 346.427 2.094 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001297916116 1330015933 /nfs/dbraw/zinc/01/59/33/1330015933.db2.gz IEJDYSGPKYAPEY-RDJZCZTQSA-N -1 3 342.439 2.409 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)CCCCC(C)(C)C)n1 ZINC001316715331 1331857794 /nfs/dbraw/zinc/85/77/94/1331857794.db2.gz KTTYUNBRZSHZMN-UHFFFAOYSA-N -1 3 332.448 2.128 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)CC)n1 ZINC001573247458 1343624365 /nfs/dbraw/zinc/62/43/65/1343624365.db2.gz CZOJTEXQYBTMIF-KPZWWZAWSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nn1 ZINC001622264549 1352380519 /nfs/dbraw/zinc/38/05/19/1352380519.db2.gz BRMGNEJIBXBKSH-UHFFFAOYSA-N -1 3 347.227 2.249 10 30 EEEEHM Cn1cc(-c2n[nH]cc2C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001639058352 1352693707 /nfs/dbraw/zinc/69/37/07/1352693707.db2.gz GLAYYRGWQQHTOY-UHFFFAOYSA-N -1 3 331.763 2.495 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)nc1 ZINC001646348560 1352831588 /nfs/dbraw/zinc/83/15/88/1352831588.db2.gz ZCHCRMMVQIULNI-UHFFFAOYSA-N -1 3 347.334 2.286 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)nc1 ZINC001646348560 1352831590 /nfs/dbraw/zinc/83/15/90/1352831590.db2.gz ZCHCRMMVQIULNI-UHFFFAOYSA-N -1 3 347.334 2.286 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CCC1 ZINC001665689377 1355362471 /nfs/dbraw/zinc/36/24/71/1355362471.db2.gz QYPAXQBGMGSKHH-UHFFFAOYSA-N -1 3 339.388 2.145 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001681468880 1358007655 /nfs/dbraw/zinc/00/76/55/1358007655.db2.gz VKXFIRRWLUPQSL-CABCVRRESA-N -1 3 328.412 2.161 10 30 EEEEHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H](c2ncccn2)C2CC2)c1 ZINC000921417420 773346850 /nfs/dbraw/zinc/34/68/50/773346850.db2.gz FYIDGHJUWPUYJE-OAHLLOKOSA-N -1 3 346.387 2.058 10 30 EEEEHM COc1ccc(-c2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)c(F)c2)cc1 ZINC000816695167 784202550 /nfs/dbraw/zinc/20/25/50/784202550.db2.gz WPQNCZOFYPUYLA-MRXNPFEDSA-N -1 3 344.342 2.221 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(NCc2ccsc2)cc1 ZINC000908403589 785387808 /nfs/dbraw/zinc/38/78/08/785387808.db2.gz SNMOAKVETFMHSA-OAHLLOKOSA-N -1 3 345.424 2.470 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847467 785787303 /nfs/dbraw/zinc/78/73/03/785787303.db2.gz RFVYHMTXSQCBQO-IRXDYDNUSA-N -1 3 345.443 2.370 10 30 EEEEHM C#CC[C@H](COC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000913348100 788804941 /nfs/dbraw/zinc/80/49/41/788804941.db2.gz FUSXVLSUKZMSJM-SNVBAGLBSA-N -1 3 339.417 2.258 10 30 EEEEHM Cc1ccc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)c(C#N)c1 ZINC000921852747 797500824 /nfs/dbraw/zinc/50/08/24/797500824.db2.gz BKLKBYWOXZRMNW-GXFFZTMASA-N -1 3 348.346 2.112 10 30 EEEEHM C=CCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000791145203 809078121 /nfs/dbraw/zinc/07/81/21/809078121.db2.gz IKSUAGKEJDDZHE-UHFFFAOYSA-N -1 3 344.383 2.102 10 30 EEEEHM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1NC(C)=O ZINC001459871748 1110249623 /nfs/dbraw/zinc/24/96/23/1110249623.db2.gz ONEJKYLDGWBDQI-AWEZNQCLSA-N -1 3 341.383 2.498 10 30 EEEEHM C=CCOc1cccnc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468756786 1110479626 /nfs/dbraw/zinc/47/96/26/1110479626.db2.gz ODQOFABDFYZCTA-UHFFFAOYSA-N -1 3 336.355 2.003 10 30 EEEEHM C=CCOc1cccnc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001468756786 1110479627 /nfs/dbraw/zinc/47/96/27/1110479627.db2.gz ODQOFABDFYZCTA-UHFFFAOYSA-N -1 3 336.355 2.003 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001475791517 1110620990 /nfs/dbraw/zinc/62/09/90/1110620990.db2.gz ASROILUVXRTCMM-KDOFPFPSSA-N -1 3 349.452 2.285 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001508558625 1115558560 /nfs/dbraw/zinc/55/85/60/1115558560.db2.gz AWWIGASNXADDBX-NEPJUHHUSA-N -1 3 343.431 2.183 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cccc21 ZINC000451589295 243167725 /nfs/dbraw/zinc/16/77/25/243167725.db2.gz IFJZJHHVRBNYJW-AWEZNQCLSA-N -1 3 331.372 2.448 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000528553620 269897136 /nfs/dbraw/zinc/89/71/36/269897136.db2.gz OZXNGYUSAKBRES-PUXPGTEJSA-N -1 3 328.821 2.302 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000416647365 268159648 /nfs/dbraw/zinc/15/96/48/268159648.db2.gz WEODKRUKKKDFCY-WDEREUQCSA-N -1 3 328.821 2.041 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC000289271141 464072593 /nfs/dbraw/zinc/07/25/93/464072593.db2.gz DCTYWWIMFJTBOH-UHFFFAOYSA-N -1 3 348.380 2.033 10 30 EEEEHM CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289543361 464083655 /nfs/dbraw/zinc/08/36/55/464083655.db2.gz WTYIUZPXEUCFID-AWEZNQCLSA-N -1 3 325.416 2.279 10 30 EEEEHM COC(=O)CCCON=C([O-])Nc1cc(C#N)ccc1OC(C)C ZINC000289796002 464094901 /nfs/dbraw/zinc/09/49/01/464094901.db2.gz SLZPUFLLIFEBCC-UHFFFAOYSA-N -1 3 335.360 2.352 10 30 EEEEHM COC(=O)CCCO[N-]C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000289796002 464094908 /nfs/dbraw/zinc/09/49/08/464094908.db2.gz SLZPUFLLIFEBCC-UHFFFAOYSA-N -1 3 335.360 2.352 10 30 EEEEHM COC(=O)c1c([N-]C(=O)c2ccc(C#N)o2)sc2c1CCOC2 ZINC000416102314 466722560 /nfs/dbraw/zinc/72/25/60/466722560.db2.gz BOOYFEXABSIOOL-UHFFFAOYSA-N -1 3 332.337 2.324 10 30 EEEEHM C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(cc2[O-])CCCC3)C1=O ZINC000436498945 467541412 /nfs/dbraw/zinc/54/14/12/467541412.db2.gz XZDGNGSBIHRIMV-MRXNPFEDSA-N -1 3 328.412 2.130 10 30 EEEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000528412992 467683348 /nfs/dbraw/zinc/68/33/48/467683348.db2.gz WXQLFXCCJVDNSZ-PMPSAXMXSA-N -1 3 343.420 2.166 10 30 EEEEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000531388028 468048818 /nfs/dbraw/zinc/04/88/18/468048818.db2.gz UWDFLCXDYURICB-UHFFFAOYSA-N -1 3 329.381 2.111 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC000592070701 468611739 /nfs/dbraw/zinc/61/17/39/468611739.db2.gz VGNBVJPYKZSXSE-UHFFFAOYSA-N -1 3 331.372 2.450 10 30 EEEEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000600668113 468615030 /nfs/dbraw/zinc/61/50/30/468615030.db2.gz LVJAHIDRNJRZNI-HUUCEWRRSA-N -1 3 342.436 2.241 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@]1(C#N)CC1(C)C)c1ccc(F)cc1 ZINC000600668347 468615105 /nfs/dbraw/zinc/61/51/05/468615105.db2.gz LFRJAFVNBLYBBQ-ZFWWWQNUSA-N -1 3 326.393 2.125 10 30 EEEEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000600668953 468615951 /nfs/dbraw/zinc/61/59/51/468615951.db2.gz WPUSQAWGLNLGDS-CVEARBPZSA-N -1 3 342.436 2.241 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)s1 ZINC000594851555 468705047 /nfs/dbraw/zinc/70/50/47/468705047.db2.gz BYZBCULXXLJEML-KBPBESRZSA-N -1 3 348.449 2.471 10 30 EEEEHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000585090471 468962387 /nfs/dbraw/zinc/96/23/87/468962387.db2.gz QKWNPXVUSUTJEL-QMMMGPOBSA-N -1 3 325.415 2.134 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000593545015 469026913 /nfs/dbraw/zinc/02/69/13/469026913.db2.gz OYMODLUROZJRNZ-ZDUSSCGKSA-N -1 3 334.422 2.212 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000593601665 469054931 /nfs/dbraw/zinc/05/49/31/469054931.db2.gz JFPOSZLIBSHANV-GFCCVEGCSA-N -1 3 328.459 2.087 10 30 EEEEHM N#CCCCS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599386816 469238314 /nfs/dbraw/zinc/23/83/14/469238314.db2.gz ZJAVXLOBOARYQY-DGCLKSJQSA-N -1 3 348.346 2.144 10 30 EEEEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000599517546 469282261 /nfs/dbraw/zinc/28/22/61/469282261.db2.gz DMXZANRQHHOSJP-PHIMTYICSA-N -1 3 348.346 2.280 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nccn2c1 ZINC000609618937 469949062 /nfs/dbraw/zinc/94/90/62/469949062.db2.gz JZCUXVUXTAHPPM-UHFFFAOYSA-N -1 3 335.367 2.495 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651641337 471069119 /nfs/dbraw/zinc/06/91/19/471069119.db2.gz OCRJJALRIAQXNO-QMMMGPOBSA-N -1 3 340.264 2.034 10 30 EEEEHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000672429771 486120908 /nfs/dbraw/zinc/12/09/08/486120908.db2.gz OWYAZEIKLJEVIH-CYBMUJFWSA-N -1 3 344.383 2.069 10 30 EEEEHM CC(C)(CCC#N)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000377169154 526996275 /nfs/dbraw/zinc/99/62/75/526996275.db2.gz LQRQFFTYIRWDAM-OAHLLOKOSA-N -1 3 343.427 2.443 10 30 EEEEHM CCCCN([O-])C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 ZINC000904215522 694329028 /nfs/dbraw/zinc/32/90/28/694329028.db2.gz BWIHKLNIOQNLTM-UHFFFAOYSA-N -1 3 340.424 2.429 10 30 EEEEHM Cc1cc(Cn2nnc(C(=O)N([O-])Cc3ccc(F)cc3)c2C)no1 ZINC001649075689 1193508200 /nfs/dbraw/zinc/50/82/00/1193508200.db2.gz BOUAVHGUTBWNOH-UHFFFAOYSA-N -1 3 345.334 2.102 10 30 EEEEHM C=C1CC(C)(C(=O)N(C)CCN(C)Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001272106636 1187911143 /nfs/dbraw/zinc/91/11/43/1187911143.db2.gz XJSVMCCAZPGNCN-UHFFFAOYSA-N -1 3 344.459 2.306 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N(C)C1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001483877744 1191104519 /nfs/dbraw/zinc/10/45/19/1191104519.db2.gz WMAVKZAAEQMHGC-LJQANCHMSA-N -1 3 344.459 2.305 10 30 EEEEHM C=CCOc1ccc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877777810 1200096066 /nfs/dbraw/zinc/09/60/66/1200096066.db2.gz GAPZYIXZDCVJIB-UHFFFAOYSA-N -1 3 328.334 2.362 10 30 EEEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000882846952 1201956216 /nfs/dbraw/zinc/95/62/16/1201956216.db2.gz YMMSRWCDOUMQMW-CYBMUJFWSA-N -1 3 338.454 2.416 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001299506479 1205310921 /nfs/dbraw/zinc/31/09/21/1205310921.db2.gz YAAPRVBGYCYMKZ-IFXJQAMLSA-N -1 3 346.427 2.094 10 30 EEEEHM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@@H]1NCC#Cc1ccccc1 ZINC001284275796 1326484775 /nfs/dbraw/zinc/48/47/75/1326484775.db2.gz ALGDNNKSXOEZEJ-SFHVURJKSA-N -1 3 349.434 2.279 10 30 EEEEHM C=CCC(C)(C)C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288216110 1327672009 /nfs/dbraw/zinc/67/20/09/1327672009.db2.gz FVPDORWKCQCACE-CYBMUJFWSA-N -1 3 348.447 2.045 10 30 EEEEHM CC#CCCCC(=O)N1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001288538519 1327834369 /nfs/dbraw/zinc/83/43/69/1327834369.db2.gz CRQBMGUQICLNCV-UHFFFAOYSA-N -1 3 340.423 2.260 10 30 EEEEHM C#CCC(C)(C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001331935943 1335680889 /nfs/dbraw/zinc/68/08/89/1335680889.db2.gz WVCJVZMNWPIGKO-UHFFFAOYSA-N -1 3 343.474 2.208 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2(C)CC2)ccc1F ZINC001336199290 1336499033 /nfs/dbraw/zinc/49/90/33/1336499033.db2.gz KGISSNOKQCWTAW-NSHDSACASA-N -1 3 340.420 2.208 10 30 EEEEHM C#CCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC001622152522 1352378993 /nfs/dbraw/zinc/37/89/93/1352378993.db2.gz ZRIQJJVHUXDVGK-UHFFFAOYSA-N -1 3 332.406 2.110 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001338897314 1336928685 /nfs/dbraw/zinc/92/86/85/1336928685.db2.gz XSDRQAIAFCAEKO-SCLBCKFNSA-N -1 3 348.447 2.045 10 30 EEEEHM C=CCO[C@@H]1CCN(Cc2cn(CC(=O)[O-])nc2-c2ccccc2)C1 ZINC001353896322 1338365474 /nfs/dbraw/zinc/36/54/74/1338365474.db2.gz FOABVAPKIVEONH-QGZVFWFLSA-N -1 3 341.411 2.412 10 30 EEEEHM C=CCC(C)(C)C(=O)N(CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001356071638 1338789022 /nfs/dbraw/zinc/78/90/22/1338789022.db2.gz VCSJQKQXNNPLLL-UHFFFAOYSA-N -1 3 343.431 2.139 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)CCCSC ZINC001356152680 1338801557 /nfs/dbraw/zinc/80/15/57/1338801557.db2.gz JQZWJGNWGYAVCL-UHFFFAOYSA-N -1 3 327.845 2.092 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)CCCSC ZINC001356152680 1338801561 /nfs/dbraw/zinc/80/15/61/1338801561.db2.gz JQZWJGNWGYAVCL-UHFFFAOYSA-N -1 3 327.845 2.092 10 30 EEEEHM C=C(C)CCC(=O)N(C)CC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001571895815 1343329983 /nfs/dbraw/zinc/32/99/83/1343329983.db2.gz AETVADRRVMSTIB-OAHLLOKOSA-N -1 3 348.447 2.141 10 30 EEEEHM C=C(C)CCC(=O)N[C@H](CCN(C)C(=O)c1cnc[n-]c1=O)C(C)C ZINC001571896535 1343330649 /nfs/dbraw/zinc/33/06/49/1343330649.db2.gz PJEVZZMAHQQXFK-OAHLLOKOSA-N -1 3 348.447 2.141 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001581217732 1344601263 /nfs/dbraw/zinc/60/12/63/1344601263.db2.gz JWRVBAWKRLUGBF-HUUCEWRRSA-N -1 3 346.427 2.094 10 30 EEEEHM Cc1nn(C)c(-n2cccn2)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001639078682 1352694468 /nfs/dbraw/zinc/69/44/68/1352694468.db2.gz POBKISSLGMHSEL-UHFFFAOYSA-N -1 3 329.335 2.085 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCC ZINC001669267481 1356137954 /nfs/dbraw/zinc/13/79/54/1356137954.db2.gz OWKLUQALPJKNEH-AWEZNQCLSA-N -1 3 329.462 2.384 10 30 EEEEHM N#C[C@]1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC2CCC1CC2 ZINC000907495143 784676455 /nfs/dbraw/zinc/67/64/55/784676455.db2.gz CBQFOKDYYVXGBS-KJHLLKJSSA-N -1 3 327.310 2.160 10 30 EEEEHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820186048 785827957 /nfs/dbraw/zinc/82/79/57/785827957.db2.gz UEADZVWELQXZLC-WCQYABFASA-N -1 3 344.333 2.380 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000911854477 787779927 /nfs/dbraw/zinc/77/99/27/787779927.db2.gz KRTFDTMXPRTNCO-AFNCTOJWSA-N -1 3 325.368 2.179 10 30 EEEEHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000846551424 790230180 /nfs/dbraw/zinc/23/01/80/790230180.db2.gz USCVWRVUQYKWKR-HIFRSBDPSA-N -1 3 334.391 2.229 10 30 EEEEHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1 ZINC000917519975 798261689 /nfs/dbraw/zinc/26/16/89/798261689.db2.gz APUBSWHHPSJKHS-GFCCVEGCSA-N -1 3 326.356 2.088 10 30 EEEEHM C=CCC1(C(=O)N(C)C2CC(NC(=O)c3cn[n-]n3)C2)CCCCC1 ZINC001511949562 1118334051 /nfs/dbraw/zinc/33/40/51/1118334051.db2.gz TUMLLDMADJDNIT-UHFFFAOYSA-N -1 3 345.447 2.051 10 30 EEEEHM C#CCC1(C(=O)N(C)[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001523075015 1119624414 /nfs/dbraw/zinc/62/44/14/1119624414.db2.gz PMPMUMJCEGISED-HNNXBMFYSA-N -1 3 340.423 2.259 10 30 EEEEHM CC1(CNC(=O)C#CC2CC2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001537126208 1123949720 /nfs/dbraw/zinc/94/97/20/1123949720.db2.gz FNIQHDQQRDGZEA-UHFFFAOYSA-N -1 3 340.423 2.164 10 30 EEEEHM C=C(C)COc1cccc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c1 ZINC001542810508 1124116532 /nfs/dbraw/zinc/11/65/32/1124116532.db2.gz DEVVOLFKICCRHE-UHFFFAOYSA-N -1 3 331.328 2.104 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000277884937 201308032 /nfs/dbraw/zinc/30/80/32/201308032.db2.gz ZMZFRTIXDHLZLK-GFCCVEGCSA-N -1 3 334.420 2.290 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000277884937 201308037 /nfs/dbraw/zinc/30/80/37/201308037.db2.gz ZMZFRTIXDHLZLK-GFCCVEGCSA-N -1 3 334.420 2.290 10 30 EEEEHM C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1F ZINC000428410250 241578889 /nfs/dbraw/zinc/57/88/89/241578889.db2.gz OTUWRFLQWYKJIM-SNVBAGLBSA-N -1 3 337.351 2.313 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C(C)C)C1CCOCC1 ZINC000121631578 221894355 /nfs/dbraw/zinc/89/43/55/221894355.db2.gz WCALBUCIHRVRNU-UHFFFAOYSA-N -1 3 345.443 2.212 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c(Cl)c1 ZINC000351579734 465233040 /nfs/dbraw/zinc/23/30/40/465233040.db2.gz IREXVRVTYICLJA-LBPRGKRZSA-N -1 3 342.829 2.285 10 30 EEEEHM COC(=O)c1coc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)c1 ZINC000122008491 463230421 /nfs/dbraw/zinc/23/04/21/463230421.db2.gz HIQGSDUZVJWQST-UHFFFAOYSA-N -1 3 325.324 2.464 10 30 EEEEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000287736575 463984347 /nfs/dbraw/zinc/98/43/47/463984347.db2.gz HPATWHXFSUHKRF-LLVKDONJSA-N -1 3 336.417 2.451 10 30 EEEEHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c1 ZINC000175003971 464478733 /nfs/dbraw/zinc/47/87/33/464478733.db2.gz SIRVXWRSKRMTTE-UHFFFAOYSA-N -1 3 336.392 2.028 10 30 EEEEHM C=CCC(F)(F)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000295127381 464715777 /nfs/dbraw/zinc/71/57/77/464715777.db2.gz ZNEOJNLMGLMSCC-HNNXBMFYSA-N -1 3 348.309 2.459 10 30 EEEEHM COC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C)C(F)(F)F ZINC000358832015 465347932 /nfs/dbraw/zinc/34/79/32/465347932.db2.gz RXAAHTJSEVKPQA-LBPRGKRZSA-N -1 3 336.335 2.112 10 30 EEEEHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000349991316 466342463 /nfs/dbraw/zinc/34/24/63/466342463.db2.gz LIGDSEOYMSTZND-WDEREUQCSA-N -1 3 348.346 2.423 10 30 EEEEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC2(C#N)CC2)cc1OC ZINC000590167275 468221085 /nfs/dbraw/zinc/22/10/85/468221085.db2.gz JLYCOPLVAILGCO-UHFFFAOYSA-N -1 3 337.401 2.089 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C1CCC(F)(F)CC1 ZINC000594485587 468604414 /nfs/dbraw/zinc/60/44/14/468604414.db2.gz AFNLHPUHHBZBIF-JTQLQIEISA-N -1 3 329.372 2.446 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)[C@@H]1OCCc2sccc21 ZINC000583298806 468674411 /nfs/dbraw/zinc/67/44/11/468674411.db2.gz IXJSRHYIYGRQEF-FZMZJTMJSA-N -1 3 340.470 2.364 10 30 EEEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000601498304 468894551 /nfs/dbraw/zinc/89/45/51/468894551.db2.gz XPOKYUXLOMDNQS-UHFFFAOYSA-N -1 3 332.447 2.200 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)C(=O)OC ZINC000601500895 468896168 /nfs/dbraw/zinc/89/61/68/468896168.db2.gz DNAQAVLNNRPYPH-ZJUUUORDSA-N -1 3 331.356 2.002 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OC ZINC000601501617 468897442 /nfs/dbraw/zinc/89/74/42/468897442.db2.gz DYPFKSJFWQDKGF-CYBMUJFWSA-N -1 3 331.821 2.267 10 30 EEEEHM C=C(C)C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)OC ZINC000601785851 469023838 /nfs/dbraw/zinc/02/38/38/469023838.db2.gz VMLNXHWGKHLCQC-LBPRGKRZSA-N -1 3 342.189 2.392 10 30 EEEEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)c(F)c3)cn21 ZINC000572973661 469033084 /nfs/dbraw/zinc/03/30/84/469033084.db2.gz SSZAFFOFOPWGBV-LLVKDONJSA-N -1 3 348.403 2.270 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3cc(F)ccc3C2)CCCC1 ZINC000572975986 469034676 /nfs/dbraw/zinc/03/46/76/469034676.db2.gz IMBWJQVJYAAUBX-CQSZACIVSA-N -1 3 338.404 2.133 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000593568168 469039080 /nfs/dbraw/zinc/03/90/80/469039080.db2.gz UVJNXSPIOWMYLK-GDLCADMTSA-N -1 3 338.454 2.246 10 30 EEEEHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccsc1C#N)C(C)C ZINC000593579162 469045104 /nfs/dbraw/zinc/04/51/04/469045104.db2.gz UDSASUVSKOXSCV-CQSZACIVSA-N -1 3 344.458 2.266 10 30 EEEEHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593588393 469048430 /nfs/dbraw/zinc/04/84/30/469048430.db2.gz JRIIEEOXCMQSIH-UHFFFAOYSA-N -1 3 327.475 2.020 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000593591310 469049804 /nfs/dbraw/zinc/04/98/04/469049804.db2.gz SPSLJSLEWGUDLU-LBPRGKRZSA-N -1 3 328.459 2.087 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc2N1 ZINC000593729948 469113602 /nfs/dbraw/zinc/11/36/02/469113602.db2.gz KPOCKNXMUXFIIN-CQSZACIVSA-N -1 3 342.424 2.049 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1cscc1Br ZINC000632557214 470245184 /nfs/dbraw/zinc/24/51/84/470245184.db2.gz HOUGRLLIZDKTEA-UHFFFAOYSA-N -1 3 340.264 2.382 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000657151027 471982040 /nfs/dbraw/zinc/98/20/40/471982040.db2.gz QDYJYVUKAWNDMJ-UHFFFAOYSA-N -1 3 340.264 2.382 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)c1cc(C#N)cs1 ZINC000752585657 577773236 /nfs/dbraw/zinc/77/32/36/577773236.db2.gz BGQHKTIVXYRIHL-SNVBAGLBSA-N -1 3 344.396 2.005 10 30 EEEEHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nnn(C)c1C ZINC000744029446 577892216 /nfs/dbraw/zinc/89/22/16/577892216.db2.gz SQGPVUWFBQFOIB-CQSZACIVSA-N -1 3 339.399 2.210 10 30 EEEEHM C=CCOc1ccc(CN[C@H](C)c2nnc(C(=O)OCC)[n-]2)cc1 ZINC000895234163 684331122 /nfs/dbraw/zinc/33/11/22/684331122.db2.gz BTPHRTIWFBZHBU-GFCCVEGCSA-N -1 3 330.388 2.397 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000872671274 1198326202 /nfs/dbraw/zinc/32/62/02/1198326202.db2.gz QDWOVPIMVUWWJJ-UMSPYCQHSA-N -1 3 327.427 2.005 10 30 EEEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875711082 1199356374 /nfs/dbraw/zinc/35/63/74/1199356374.db2.gz VHLUYFRUOCNKLY-STQMWFEESA-N -1 3 347.381 2.441 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-]CC(=O)c1cncc(Br)c1 ZINC000870237547 1200569394 /nfs/dbraw/zinc/56/93/94/1200569394.db2.gz PQXKLNZLFMAWKV-UHFFFAOYSA-N -1 3 333.132 2.354 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OCC ZINC000881753480 1201752438 /nfs/dbraw/zinc/75/24/38/1201752438.db2.gz QMRIGOCDMCQXJX-GFCCVEGCSA-N -1 3 337.372 2.037 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)OCC ZINC000882645413 1201913281 /nfs/dbraw/zinc/91/32/81/1201913281.db2.gz SLEJZMWYLRRVCV-ZDUSSCGKSA-N -1 3 333.356 2.141 10 30 EEEEHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnn(C2CCC2)c1 ZINC000901172148 1235314808 /nfs/dbraw/zinc/31/48/08/1235314808.db2.gz CFJFFLNDXLTNLP-UHFFFAOYSA-N -1 3 332.429 2.452 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000862396570 1295826574 /nfs/dbraw/zinc/82/65/74/1295826574.db2.gz STMFHAYLONLEJY-UHFFFAOYSA-N -1 3 326.418 2.096 10 30 EEEEHM C#Cc1cccc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC001142211045 1315522570 /nfs/dbraw/zinc/52/25/70/1315522570.db2.gz GEMVLMHDLXRWBN-UHFFFAOYSA-N -1 3 336.391 2.118 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001282408697 1325712838 /nfs/dbraw/zinc/71/28/38/1325712838.db2.gz ZVUGHPGOSHLTPC-ZIAGYGMSSA-N -1 3 347.463 2.154 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@@]1(NC(=O)c2cn[n-]n2)CCCC[C@@H]1C ZINC001285152804 1326891663 /nfs/dbraw/zinc/89/16/63/1326891663.db2.gz UYAYAOGIZVBQHC-UGSOOPFHSA-N -1 3 347.463 2.202 10 30 EEEEHM O=C(CC#Cc1ccccc1)N1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001298981786 1330142676 /nfs/dbraw/zinc/14/26/76/1330142676.db2.gz CYQJBSBGQSUUPD-KRWDZBQOSA-N -1 3 348.402 2.165 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001298993844 1330145217 /nfs/dbraw/zinc/14/52/17/1330145217.db2.gz GLMMWVVGAOUVFF-KTKRTIGZSA-N -1 3 347.378 2.477 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001298993844 1330145220 /nfs/dbraw/zinc/14/52/20/1330145220.db2.gz GLMMWVVGAOUVFF-KTKRTIGZSA-N -1 3 347.378 2.477 10 30 EEEEHM C=C(Cl)CNC/C=C\CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001321189732 1333041004 /nfs/dbraw/zinc/04/10/04/1333041004.db2.gz BKYSCIBOXQPYGA-WAYWQWQTSA-N -1 3 338.839 2.242 10 30 EEEEHM C=C(C)CCC(=O)NC[C@@H]1CCCCCN1C(=O)c1cnc[n-]c1=O ZINC001334897036 1336309986 /nfs/dbraw/zinc/30/99/86/1336309986.db2.gz JRWIYWXVBHLHAM-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM Cc1csc([C@@H]2CCN(Cc3cc(=O)n4[n-]cc(C#N)c4n3)C2)n1 ZINC001620560270 1352360540 /nfs/dbraw/zinc/36/05/40/1352360540.db2.gz PTLVGTNOMKIIQM-LLVKDONJSA-N -1 3 340.412 2.061 10 30 EEEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC000921318172 773262861 /nfs/dbraw/zinc/26/28/61/773262861.db2.gz QOLWFIBPJRAHET-OCCSQVGLSA-N -1 3 326.393 2.317 10 30 EEEEHM CC[C@H](C(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816696043 784202513 /nfs/dbraw/zinc/20/25/13/784202513.db2.gz QDCVQUOMEOEAIA-NWDGAFQWSA-N -1 3 330.306 2.305 10 30 EEEEHM COc1cccc([O-])c1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000824792461 800291259 /nfs/dbraw/zinc/29/12/59/800291259.db2.gz GPEAEKAPZHUANK-IBGZPJMESA-N -1 3 337.379 2.493 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@H](C)C2CCCCC2)n1 ZINC001565991310 1125487086 /nfs/dbraw/zinc/48/70/86/1125487086.db2.gz CIAQUEVHVGSRBA-AWEZNQCLSA-N -1 3 344.459 2.128 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N(CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001496762053 1101420551 /nfs/dbraw/zinc/42/05/51/1101420551.db2.gz USGCZLVDHHPRCQ-GOSISDBHSA-N -1 3 343.431 2.139 10 30 EEEEHM COc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456393769 1109165194 /nfs/dbraw/zinc/16/51/94/1109165194.db2.gz JUZDPADZVWBYEX-ZETCQYMHSA-N -1 3 339.277 2.195 10 30 EEEEHM C#CCN(CC(=O)N([O-])Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001472622598 1110560760 /nfs/dbraw/zinc/56/07/60/1110560760.db2.gz LXVIDAHCWXATRX-UHFFFAOYSA-N -1 3 336.363 2.414 10 30 EEEEHM C=CCCC1(C(=O)NCC2(NC(=O)c3cn[n-]n3)CCCCC2)CC1 ZINC001509274287 1115780566 /nfs/dbraw/zinc/78/05/66/1115780566.db2.gz QAUJUQQTQMHSFL-UHFFFAOYSA-N -1 3 345.447 2.100 10 30 EEEEHM C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001512140645 1118422012 /nfs/dbraw/zinc/42/20/12/1118422012.db2.gz VNHWHIKMAIAQNR-CABCVRRESA-N -1 3 346.427 2.094 10 30 EEEEHM C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001514779995 1118870166 /nfs/dbraw/zinc/87/01/66/1118870166.db2.gz PGXDVZPVKYMKRK-TUVASFSCSA-N -1 3 330.428 2.475 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)CCC)n1 ZINC001519542030 1119084847 /nfs/dbraw/zinc/08/48/47/1119084847.db2.gz XSCSSSSDHUMKQU-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM O=C([O-])CC1S/C(=N/C(=O)c2ccco2)N(c2ccccc2)C1=O ZINC000005059086 304080903 /nfs/dbraw/zinc/08/09/03/304080903.db2.gz QZLIYIRNKHHIQU-ZFHSLQLHSA-N -1 3 344.348 2.399 10 30 EEEEHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000189140483 279133519 /nfs/dbraw/zinc/13/35/19/279133519.db2.gz DOYKUCWSNMBOER-GFCCVEGCSA-N -1 3 343.880 2.466 10 30 EEEEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000295275906 464770646 /nfs/dbraw/zinc/77/06/46/464770646.db2.gz ZVNLBPGRBJIFTG-GFCCVEGCSA-N -1 3 331.397 2.391 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000352870623 465563090 /nfs/dbraw/zinc/56/30/90/465563090.db2.gz KGPIJNUPUGBCPI-LBPRGKRZSA-N -1 3 328.459 2.093 10 30 EEEEHM N#C[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CCN1C1CC1 ZINC000373577038 466852426 /nfs/dbraw/zinc/85/24/26/466852426.db2.gz MFLZXWUWMNCBMZ-LLVKDONJSA-N -1 3 339.317 2.223 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594475939 468599785 /nfs/dbraw/zinc/59/97/85/468599785.db2.gz ZPHZRTSPNITKIJ-GOEBONIOSA-N -1 3 338.404 2.323 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594490979 468607809 /nfs/dbraw/zinc/60/78/09/468607809.db2.gz LMISRPGGGXKVOZ-CQSZACIVSA-N -1 3 338.404 2.467 10 30 EEEEHM N#CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000597905891 468707415 /nfs/dbraw/zinc/70/74/15/468707415.db2.gz HVTRFDDJGOPYLF-GOEBONIOSA-N -1 3 341.411 2.149 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3csc(=O)[n-]3)CCOCC2)c1 ZINC000598245344 468804813 /nfs/dbraw/zinc/80/48/13/468804813.db2.gz DUIVGRIWHLCEGA-UHFFFAOYSA-N -1 3 329.381 2.156 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(=O)OC ZINC000601501516 468896381 /nfs/dbraw/zinc/89/63/81/468896381.db2.gz BOAWSURLCYXYLK-AWEZNQCLSA-N -1 3 329.393 2.061 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCn2nccc21 ZINC000601538868 468910865 /nfs/dbraw/zinc/91/08/65/468910865.db2.gz GHQNWUYGZOBLMC-LBPRGKRZSA-N -1 3 336.804 2.222 10 30 EEEEHM N#CCN1CCC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598684664 468957805 /nfs/dbraw/zinc/95/78/05/468957805.db2.gz VFTAUJYYKFRAHZ-UHFFFAOYSA-N -1 3 327.306 2.129 10 30 EEEEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593586790 469048288 /nfs/dbraw/zinc/04/82/88/469048288.db2.gz BBOPHESQWPEZLO-AWEZNQCLSA-N -1 3 328.459 2.229 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ncccc2C1 ZINC000611007483 469137345 /nfs/dbraw/zinc/13/73/45/469137345.db2.gz MKOWJCCBJYDCCH-UHFFFAOYSA-N -1 3 336.395 2.188 10 30 EEEEHM N#Cc1cc([O-])cc(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)c1 ZINC000589205719 469212784 /nfs/dbraw/zinc/21/27/84/469212784.db2.gz GIUBBQRXLYCNER-UHFFFAOYSA-N -1 3 333.351 2.021 10 30 EEEEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000610268062 469997815 /nfs/dbraw/zinc/99/78/15/469997815.db2.gz SFHSLQYBMQJCEW-UHFFFAOYSA-N -1 3 339.417 2.237 10 30 EEEEHM C=CCOc1cccc([N-]S(=O)(=O)CC2(OC)CCOCC2)c1 ZINC000650168364 485522861 /nfs/dbraw/zinc/52/28/61/485522861.db2.gz HGVWXBGCFBAQHF-UHFFFAOYSA-N -1 3 341.429 2.189 10 30 EEEEHM C=CCCC[C@H](C)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773871738 577370609 /nfs/dbraw/zinc/37/06/09/577370609.db2.gz LLAZJXUSMBMPEA-LBPRGKRZSA-N -1 3 336.413 2.013 10 30 EEEEHM CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C\c1ccc(O)c([O-])c1O ZINC000776257304 577455874 /nfs/dbraw/zinc/45/58/74/577455874.db2.gz KEOUIKSXNSFIJS-HIPMGEKLSA-N -1 3 339.388 2.359 10 30 EEEEHM O=c1c2cc(Br)ccc2ncn1N=Cc1ccc([O-])cn1 ZINC000755629016 577828127 /nfs/dbraw/zinc/82/81/27/577828127.db2.gz WUKQFNJBHJIROR-UHFFFAOYSA-N -1 3 345.156 2.142 10 30 EEEEHM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N([O-])Cc1ccc(F)cc1 ZINC000904178699 694312591 /nfs/dbraw/zinc/31/25/91/694312591.db2.gz RPCBBWRMNAJOJY-GJZGRUSLSA-N -1 3 339.363 2.244 10 30 EEEEHM O=C([C@@H]1CCc2nncn2CC1)N([O-])CCCCc1ccccc1 ZINC000904192347 694324287 /nfs/dbraw/zinc/32/42/87/694324287.db2.gz IWHQXEGVIFGSCZ-MRXNPFEDSA-N -1 3 328.416 2.471 10 30 EEEEHM COC(=O)[C@@H]1O[C@@H](C(=O)N([O-])CCCCc2ccccc2)C[C@H]1C ZINC000904196037 694325583 /nfs/dbraw/zinc/32/55/83/694325583.db2.gz NMKMUUYCWKDSPB-FVQBIDKESA-N -1 3 335.400 2.194 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC000904213679 694334274 /nfs/dbraw/zinc/33/42/74/694334274.db2.gz WYRPWGMEWOGILD-HIFRSBDPSA-N -1 3 336.436 2.126 10 30 EEEEHM CCCCCCCC[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001649135566 1197740330 /nfs/dbraw/zinc/74/03/30/1197740330.db2.gz WPCXOVZXKUSFOV-CQSZACIVSA-N -1 3 346.427 2.412 10 30 EEEEHM C=CCOc1cccc(CNCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC000865867246 1198408105 /nfs/dbraw/zinc/40/81/05/1198408105.db2.gz HQAJYRTYUSMARK-UHFFFAOYSA-N -1 3 327.384 2.110 10 30 EEEEHM COc1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)cc1C#N ZINC000800263455 1233999413 /nfs/dbraw/zinc/99/94/13/1233999413.db2.gz ZAFMIASJYUMKGI-UHFFFAOYSA-N -1 3 326.287 2.334 10 30 EEEEHM COc1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)cc1C#N ZINC000800263455 1233999417 /nfs/dbraw/zinc/99/94/17/1233999417.db2.gz ZAFMIASJYUMKGI-UHFFFAOYSA-N -1 3 326.287 2.334 10 30 EEEEHM COc1ccc(COC(=O)c2cc(F)cc3n[n-]nc32)cc1C#N ZINC000800263455 1233999421 /nfs/dbraw/zinc/99/94/21/1233999421.db2.gz ZAFMIASJYUMKGI-UHFFFAOYSA-N -1 3 326.287 2.334 10 30 EEEEHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(OC)n1 ZINC000853293870 1292347283 /nfs/dbraw/zinc/34/72/83/1292347283.db2.gz VHOTVKYFSPRLSC-UHFFFAOYSA-N -1 3 333.413 2.324 10 30 EEEEHM C[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001413704131 1294690953 /nfs/dbraw/zinc/69/09/53/1294690953.db2.gz ISUHRPDXCGYHEE-RXMQYKEDSA-N -1 3 345.231 2.464 10 30 EEEEHM C#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001210355771 1325252211 /nfs/dbraw/zinc/25/22/11/1325252211.db2.gz YMRHRKQLUWXKCK-UHFFFAOYSA-N -1 3 349.390 2.363 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCCNC(=O)c1cnc[n-]c1=O ZINC001281573419 1325306849 /nfs/dbraw/zinc/30/68/49/1325306849.db2.gz CZOBTLFZLZDUHP-ZDUSSCGKSA-N -1 3 348.447 2.189 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001287870121 1327553346 /nfs/dbraw/zinc/55/33/46/1327553346.db2.gz XWWIVMMGZKJZBZ-GDBMZVCRSA-N -1 3 328.412 2.305 10 30 EEEEHM O=C(C#CC1CC1)N1CCCC[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001297895439 1330013080 /nfs/dbraw/zinc/01/30/80/1330013080.db2.gz URJKUPZRCFQVML-MRXNPFEDSA-N -1 3 340.423 2.307 10 30 EEEEHM C=CCCC(=O)NCC1=CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001333303579 1336000605 /nfs/dbraw/zinc/00/06/05/1336000605.db2.gz FPEFZVGOJCFDFI-UHFFFAOYSA-N -1 3 342.443 2.274 10 30 EEEEHM C=C[C@H](CC)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C)n1 ZINC001344650088 1337406571 /nfs/dbraw/zinc/40/65/71/1337406571.db2.gz MGOCLYMOBWMUAY-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)CC)n1 ZINC001573247459 1343623899 /nfs/dbraw/zinc/62/38/99/1343623899.db2.gz CZOJTEXQYBTMIF-KZULUSFZSA-N -1 3 348.447 2.063 10 30 EEEEHM CC#CCCCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001582898045 1344824885 /nfs/dbraw/zinc/82/48/85/1344824885.db2.gz AEGANLKDDOYOAB-INIZCTEOSA-N -1 3 330.428 2.456 10 30 EEEEHM CC(C)(C)C#CC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001678770856 1357561335 /nfs/dbraw/zinc/56/13/35/1357561335.db2.gz ANJNEUUFOUVKQZ-MRXNPFEDSA-N -1 3 342.439 2.409 10 30 EEEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001655397272 1354172375 /nfs/dbraw/zinc/17/23/75/1354172375.db2.gz BWDRZCMKUSNAOB-OAHLLOKOSA-N -1 3 327.377 2.001 10 30 EEEEHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nn1 ZINC001663990712 1355069146 /nfs/dbraw/zinc/06/91/46/1355069146.db2.gz GRAFRFUURFYBGT-UHFFFAOYSA-N -1 3 347.227 2.249 10 30 EEEEHM C=C[C@@H](CC)CC(=O)NCC1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001665320751 1355292562 /nfs/dbraw/zinc/29/25/62/1355292562.db2.gz UEOPQERERMINOP-ZDUSSCGKSA-N -1 3 344.459 2.210 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)C(=O)OC ZINC000921384006 773319209 /nfs/dbraw/zinc/31/92/09/773319209.db2.gz HPKZGXJEXUXOJD-LBPRGKRZSA-N -1 3 346.836 2.052 10 30 EEEEHM C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCN([O-])C4=O)cc3c2C1 ZINC000816692946 784201136 /nfs/dbraw/zinc/20/11/36/784201136.db2.gz YUEMLBCASSWONL-QFYYESIMSA-N -1 3 327.384 2.013 10 30 EEEEHM C/C(=C\C(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000820179821 785824222 /nfs/dbraw/zinc/82/42/22/785824222.db2.gz RBRBQPOXGWSGSZ-BCPZQOPPSA-N -1 3 328.290 2.215 10 30 EEEEHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C)n2)cc1Cl ZINC000917520766 798253583 /nfs/dbraw/zinc/25/35/83/798253583.db2.gz PUEPSEASIANJFH-NSHDSACASA-N -1 3 346.774 2.352 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000790100877 808410267 /nfs/dbraw/zinc/41/02/67/808410267.db2.gz ZZCNKCBWWXCAPT-UPWAIKHBSA-N -1 3 328.416 2.342 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001475791516 1110621099 /nfs/dbraw/zinc/62/10/99/1110621099.db2.gz ASROILUVXRTCMM-KBXCAEBGSA-N -1 3 349.452 2.285 10 30 EEEEHM C=CCCC(=O)N[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H]1C ZINC001507369635 1115229087 /nfs/dbraw/zinc/22/90/87/1115229087.db2.gz RIDDMSHOKJJRJZ-BBRMVZONSA-N -1 3 344.459 2.495 10 30 EEEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1c(F)cncc1F ZINC000352534710 162176702 /nfs/dbraw/zinc/17/67/02/162176702.db2.gz YWYHVFWHJJQXIY-MRVPVSSYSA-N -1 3 341.314 2.410 10 30 EEEEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000295324342 270018380 /nfs/dbraw/zinc/01/83/80/270018380.db2.gz PXRDPMMTMWJWMB-GFCCVEGCSA-N -1 3 348.346 2.423 10 30 EEEEHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000189139628 278975279 /nfs/dbraw/zinc/97/52/79/278975279.db2.gz DOYKUCWSNMBOER-LBPRGKRZSA-N -1 3 343.880 2.466 10 30 EEEEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000420734263 280537445 /nfs/dbraw/zinc/53/74/45/280537445.db2.gz VTZNVCNHAXVPCW-NWDGAFQWSA-N -1 3 328.821 2.448 10 30 EEEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000561125282 318825554 /nfs/dbraw/zinc/82/55/54/318825554.db2.gz NHWDJKSXZYLYED-PTEHBNRSSA-N -1 3 341.230 2.398 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000127719623 462576821 /nfs/dbraw/zinc/57/68/21/462576821.db2.gz PLSVUCSIZAJCKM-ZFWWWQNUSA-N -1 3 340.420 2.307 10 30 EEEEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180227778 464268730 /nfs/dbraw/zinc/26/87/30/464268730.db2.gz ZVUDYRKNTWJHAG-JTQLQIEISA-N -1 3 344.820 2.222 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000188619663 464327000 /nfs/dbraw/zinc/32/70/00/464327000.db2.gz CBDZTFXJHOZIDA-OAHLLOKOSA-N -1 3 336.457 2.213 10 30 EEEEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000348845042 465834598 /nfs/dbraw/zinc/83/45/98/465834598.db2.gz WRPOGTTWYPYJLO-OAHLLOKOSA-N -1 3 347.371 2.192 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000365477068 466831559 /nfs/dbraw/zinc/83/15/59/466831559.db2.gz NURGIEYJNRBQSA-YOEHRIQHSA-N -1 3 343.408 2.009 10 30 EEEEHM C=C[C@H]1CCCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000428047907 467198240 /nfs/dbraw/zinc/19/82/40/467198240.db2.gz ZYNCSHMDBHKZLF-STQMWFEESA-N -1 3 340.420 2.060 10 30 EEEEHM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C12CCC2 ZINC000594863897 468711288 /nfs/dbraw/zinc/71/12/88/468711288.db2.gz JQOCWRYEBOIQQB-HUUCEWRRSA-N -1 3 349.456 2.358 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)OC ZINC000601502689 468898164 /nfs/dbraw/zinc/89/81/64/468898164.db2.gz TVHLVPCDEDHPDG-OAHLLOKOSA-N -1 3 325.430 2.231 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OC ZINC000601502882 468898348 /nfs/dbraw/zinc/89/83/48/468898348.db2.gz VTIIBNMBWHEFKT-LBPRGKRZSA-N -1 3 333.356 2.059 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)CCCC1 ZINC000601512876 468901974 /nfs/dbraw/zinc/90/19/74/468901974.db2.gz DVSURGYHGCHYCG-HUUCEWRRSA-N -1 3 326.462 2.337 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)CCCC1 ZINC000601512875 468902310 /nfs/dbraw/zinc/90/23/10/468902310.db2.gz DVSURGYHGCHYCG-GJZGRUSLSA-N -1 3 326.462 2.337 10 30 EEEEHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C[C@H]1OC ZINC000593565959 469038567 /nfs/dbraw/zinc/03/85/67/469038567.db2.gz LDAZYWSKEUBIQX-CHWSQXEVSA-N -1 3 328.459 2.492 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000593600606 469053298 /nfs/dbraw/zinc/05/32/98/469053298.db2.gz HCEIVIGJIMFAJD-LLVKDONJSA-N -1 3 326.443 2.247 10 30 EEEEHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593600172 469053509 /nfs/dbraw/zinc/05/35/09/469053509.db2.gz ARCPDPOHCYBBQB-VXGBXAGGSA-N -1 3 328.459 2.349 10 30 EEEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1(CO)CCC1 ZINC000593599780 469054003 /nfs/dbraw/zinc/05/40/03/469054003.db2.gz YPEHGTNEDYRDET-ZDUSSCGKSA-N -1 3 328.459 2.085 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000599483266 469272330 /nfs/dbraw/zinc/27/23/30/469272330.db2.gz UPXPIPZZTFCAOY-AAEUAGOBSA-N -1 3 326.805 2.057 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599483267 469272393 /nfs/dbraw/zinc/27/23/93/469272393.db2.gz UPXPIPZZTFCAOY-DGCLKSJQSA-N -1 3 326.805 2.057 10 30 EEEEHM C[C@H](CC#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000596667095 469327958 /nfs/dbraw/zinc/32/79/58/469327958.db2.gz CEAIURNMJHWRTN-SECBINFHSA-N -1 3 349.334 2.015 10 30 EEEEHM CO[C@H](C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1)c1ccccc1 ZINC000612475100 469476169 /nfs/dbraw/zinc/47/61/69/469476169.db2.gz BULPSISEMUINIT-KRWDZBQOSA-N -1 3 347.378 2.196 10 30 EEEEHM Cn1ncc2c1nc(N=NCc1ccccc1OCC1CC1)[n-]c2=O ZINC000769819655 577585304 /nfs/dbraw/zinc/58/53/04/577585304.db2.gz UKCFCMXHLNWSNG-UHFFFAOYSA-N -1 3 338.371 2.304 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(-n3ccnn3)cc2)c1[O-] ZINC000755376797 577824471 /nfs/dbraw/zinc/82/44/71/577824471.db2.gz QAYJOIUDQCIRGC-XGTDKWECSA-N -1 3 337.383 2.349 10 30 EEEEHM C=C(C)[C@H](CC(=O)OCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)OCC ZINC000756468576 577844630 /nfs/dbraw/zinc/84/46/30/577844630.db2.gz BUGBXFWZUVIMKF-ZFWWWQNUSA-N -1 3 349.431 2.129 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ncccc3Cl)C2)c1[O-] ZINC000757525323 577860028 /nfs/dbraw/zinc/86/00/28/577860028.db2.gz FVVMDABBAKYKDN-OOMAIKSQSA-N -1 3 346.818 2.334 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000904207110 694322045 /nfs/dbraw/zinc/32/20/45/694322045.db2.gz QQLQQCFWUMOSPD-ZJUUUORDSA-N -1 3 331.356 2.008 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000904205050 694328482 /nfs/dbraw/zinc/32/84/82/694328482.db2.gz YQAFXROQPOLFEB-JKSUJKDBSA-N -1 3 338.448 2.226 10 30 EEEEHM CCCCCCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001719911931 1187075321 /nfs/dbraw/zinc/07/53/21/1187075321.db2.gz LTQSQIXESWSUBO-FMKPAKJESA-N -1 3 347.463 2.417 10 30 EEEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872674159 1198327522 /nfs/dbraw/zinc/32/75/22/1198327522.db2.gz UXQBYRXDHWBMJU-XYPYZODXSA-N -1 3 343.246 2.314 10 30 EEEEHM C=CCCOCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001488251283 1287004690 /nfs/dbraw/zinc/00/46/90/1287004690.db2.gz XQOVWWROOBVFRP-GDBMZVCRSA-N -1 3 346.427 2.094 10 30 EEEEHM N#C[C@]1(c2ccccn2)CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000855304822 1293164439 /nfs/dbraw/zinc/16/44/39/1293164439.db2.gz KPEQMIXYPPGXJM-LJQANCHMSA-N -1 3 349.394 2.152 10 30 EEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000859428127 1294436367 /nfs/dbraw/zinc/43/63/67/1294436367.db2.gz WGULQEXHKBLTDH-SNVBAGLBSA-N -1 3 339.310 2.161 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C2(O)CCC2)CC1 ZINC001413712171 1295784920 /nfs/dbraw/zinc/78/49/20/1295784920.db2.gz GOIUJSAOFRRDAO-UHFFFAOYSA-N -1 3 343.427 2.020 10 30 EEEEHM C=CC(C)(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000862396461 1295825621 /nfs/dbraw/zinc/82/56/21/1295825621.db2.gz QGLSDWIBWMGMBG-UHFFFAOYSA-N -1 3 328.409 2.066 10 30 EEEEHM Cn1[n-]ccc1=NN=C1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842529604 1315720578 /nfs/dbraw/zinc/72/05/78/1315720578.db2.gz DXFRQTSHMQQFDU-OLZOCXBDSA-N -1 3 333.436 2.277 10 30 EEEEHM CN(CCOCc1ccc(C#N)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001163422730 1321121018 /nfs/dbraw/zinc/12/10/18/1321121018.db2.gz OCMAGIZPBKAWQB-UHFFFAOYSA-N -1 3 328.328 2.220 10 30 EEEEHM C=CCn1cccc1C(=O)N(C)CCCNC(=O)c1ccccc1[O-] ZINC001283496218 1326099050 /nfs/dbraw/zinc/09/90/50/1326099050.db2.gz ILXLWOIVRYBJOE-UHFFFAOYSA-N -1 3 341.411 2.272 10 30 EEEEHM C=C[C@@](C)(CCOC)C(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001285597617 1327070481 /nfs/dbraw/zinc/07/04/81/1327070481.db2.gz FJQQPFNTEWPJRE-KUHUBIRLSA-N -1 3 348.443 2.198 10 30 EEEEHM C=CCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001286327453 1327374257 /nfs/dbraw/zinc/37/42/57/1327374257.db2.gz HUXHWCPUUQKTAF-OLZOCXBDSA-N -1 3 341.415 2.081 10 30 EEEEHM C=CCO[C@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287345208 1327480848 /nfs/dbraw/zinc/48/08/48/1327480848.db2.gz YYCAFGFJBIBQJI-CQSZACIVSA-N -1 3 346.427 2.046 10 30 EEEEHM C=C(Br)CNC/C=C\CNC(=O)c1ccccc1[O-] ZINC001320969798 1332989201 /nfs/dbraw/zinc/98/92/01/1332989201.db2.gz KAAKVVBZNMQPNC-PLNGDYQASA-N -1 3 325.206 2.176 10 30 EEEEHM O=C([C@@H]1CCC[C@@H](F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001332493618 1335834911 /nfs/dbraw/zinc/83/49/11/1335834911.db2.gz RHTKECGLQIQJQU-CHWSQXEVSA-N -1 3 348.374 2.419 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001334297511 1336235663 /nfs/dbraw/zinc/23/56/63/1336235663.db2.gz XZIQIAKUZNCTQV-XIKOKIGWSA-N -1 3 343.431 2.137 10 30 EEEEHM C=C(C)CCC(=O)NC[C@]1(C)CN(C(=O)c2ccccc2[O-])CCO1 ZINC001346755799 1337491464 /nfs/dbraw/zinc/49/14/64/1337491464.db2.gz JHXGUUJVIJLICS-LJQANCHMSA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCO[C@H]1CCN(Cc2cn(CC(=O)[O-])nc2-c2ccccc2)C1 ZINC001353896321 1338365389 /nfs/dbraw/zinc/36/53/89/1338365389.db2.gz FOABVAPKIVEONH-KRWDZBQOSA-N -1 3 341.411 2.412 10 30 EEEEHM C#CCCCC(=O)N[C@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572419011 1343486338 /nfs/dbraw/zinc/48/63/38/1343486338.db2.gz RIKVSUMGHWLVMY-XLIONFOSSA-N -1 3 340.423 2.449 10 30 EEEEHM CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572452596 1343496007 /nfs/dbraw/zinc/49/60/07/1343496007.db2.gz DYRSLXCTYHALNU-GJZGRUSLSA-N -1 3 328.412 2.066 10 30 EEEEHM N#Cc1ccnc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001640049065 1352705435 /nfs/dbraw/zinc/70/54/35/1352705435.db2.gz UFLLDNXOEUMXKK-UHFFFAOYSA-N -1 3 347.334 2.286 10 30 EEEEHM N#Cc1ccnc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001640049065 1352705437 /nfs/dbraw/zinc/70/54/37/1352705437.db2.gz UFLLDNXOEUMXKK-UHFFFAOYSA-N -1 3 347.334 2.286 10 30 EEEEHM CS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001654813945 1354159000 /nfs/dbraw/zinc/15/90/00/1354159000.db2.gz HXJRNNRZFPDPKI-UHFFFAOYSA-N -1 3 340.788 2.170 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(=O)OC ZINC001656973383 1354306163 /nfs/dbraw/zinc/30/61/63/1354306163.db2.gz CGGJWGFMZHMSRK-OAHLLOKOSA-N -1 3 343.420 2.451 10 30 EEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001663418014 1354960016 /nfs/dbraw/zinc/96/00/16/1354960016.db2.gz VUIGSADORHIKLR-SECBINFHSA-N -1 3 344.845 2.266 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@H](CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001672377164 1356511871 /nfs/dbraw/zinc/51/18/71/1356511871.db2.gz RMWBAJAQUMEZRL-DEYYWGMASA-N -1 3 349.479 2.125 10 30 EEEEHM C[C@H](C[C@@H](C)NC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001681536882 1358024388 /nfs/dbraw/zinc/02/43/88/1358024388.db2.gz CODIJNPUOHDAOM-ZIAGYGMSSA-N -1 3 330.428 2.455 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1cccc(F)c1)C(=O)OCC ZINC000919726239 770233224 /nfs/dbraw/zinc/23/32/24/770233224.db2.gz JURHVCOFKCUSJU-HNNXBMFYSA-N -1 3 343.420 2.186 10 30 EEEEHM O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@H]1CCN([O-])C1=O ZINC000816696689 784202220 /nfs/dbraw/zinc/20/22/20/784202220.db2.gz DXKQMRBIZFJEBD-BRNRAETOSA-N -1 3 348.708 2.392 10 30 EEEEHM Cc1cc(C#N)cc(C)c1CC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000907497339 784677381 /nfs/dbraw/zinc/67/73/81/784677381.db2.gz UIBWJOQTBPRWTO-UHFFFAOYSA-N -1 3 337.305 2.171 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(NCc2ccsc2)cc1 ZINC000908403588 785387781 /nfs/dbraw/zinc/38/77/81/785387781.db2.gz SNMOAKVETFMHSA-HNNXBMFYSA-N -1 3 345.424 2.470 10 30 EEEEHM N#C[C@@]1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCSC1 ZINC001136560528 787085692 /nfs/dbraw/zinc/08/56/92/787085692.db2.gz PUWBQIRAGZYEBO-HNNXBMFYSA-N -1 3 333.800 2.311 10 30 EEEEHM CN1CCCc2cc(C[N-]S(=O)(=O)c3ccsc3C#N)ccc21 ZINC000845837612 789964668 /nfs/dbraw/zinc/96/46/68/789964668.db2.gz BHAPICNUKROTEM-UHFFFAOYSA-N -1 3 347.465 2.481 10 30 EEEEHM N#Cc1cccc([N+](=O)[O-])c1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001473766774 1110580334 /nfs/dbraw/zinc/58/03/34/1110580334.db2.gz WQECUCFUVVBOAH-UHFFFAOYSA-N -1 3 337.339 2.355 10 30 EEEEHM C=C(Cl)CN(C)Cc1ccccc1CNC(=O)c1cnc[n-]c1=O ZINC001501662576 1113421131 /nfs/dbraw/zinc/42/11/31/1113421131.db2.gz CQELEEGNYDAYQP-UHFFFAOYSA-N -1 3 346.818 2.297 10 30 EEEEHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3)nc1-2 ZINC000429569231 241784824 /nfs/dbraw/zinc/78/48/24/241784824.db2.gz QKMCXLJMRJWMLY-AWEZNQCLSA-N -1 3 343.350 2.337 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000339165939 465120723 /nfs/dbraw/zinc/12/07/23/465120723.db2.gz CXFIFYVNUBBJGJ-UHFFFAOYSA-N -1 3 339.351 2.031 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1C#N ZINC000341401662 465147477 /nfs/dbraw/zinc/14/74/77/465147477.db2.gz CXFNFXOFNOXBHQ-VXGBXAGGSA-N -1 3 348.472 2.373 10 30 EEEEHM C=CCNc1ncc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)s1 ZINC000119360705 462893083 /nfs/dbraw/zinc/89/30/83/462893083.db2.gz WLYFWRWCAHQYST-UHFFFAOYSA-N -1 3 329.389 2.117 10 30 EEEEHM C=CCNc1ncc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)s1 ZINC000119360705 462893089 /nfs/dbraw/zinc/89/30/89/462893089.db2.gz WLYFWRWCAHQYST-UHFFFAOYSA-N -1 3 329.389 2.117 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@@H]1O ZINC000178713330 463949040 /nfs/dbraw/zinc/94/90/40/463949040.db2.gz RMGYBAMTGXMTKK-HOCLYGCPSA-N -1 3 348.811 2.148 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000186662323 464042920 /nfs/dbraw/zinc/04/29/20/464042920.db2.gz PHNDLCKOIJBTCB-VIFPVBQESA-N -1 3 327.299 2.060 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000274387028 464744373 /nfs/dbraw/zinc/74/43/73/464744373.db2.gz RTJMMXPIPBYSMT-OAHLLOKOSA-N -1 3 342.417 2.290 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000428392044 467228193 /nfs/dbraw/zinc/22/81/93/467228193.db2.gz SFTBYIBHVNLHIP-PRXAMGSTSA-N -1 3 343.408 2.185 10 30 EEEEHM C=C(C)C[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528368497 467680278 /nfs/dbraw/zinc/68/02/78/467680278.db2.gz MYNNMMJGSFRTDP-UHFFFAOYSA-N -1 3 325.308 2.448 10 30 EEEEHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000556335260 468522465 /nfs/dbraw/zinc/52/24/65/468522465.db2.gz LIPGIXRJEQANTM-UKRRQHHQSA-N -1 3 340.420 2.427 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H]1CCCCO1 ZINC000594489390 468607333 /nfs/dbraw/zinc/60/73/33/468607333.db2.gz ZZUNVYQJKKUDNQ-ZIAGYGMSSA-N -1 3 326.393 2.323 10 30 EEEEHM Cn1c2cc([O-])c(NC(=O)CC3(C#N)CCCCC3)cc2n(C)c1=O ZINC000597672019 468634376 /nfs/dbraw/zinc/63/43/76/468634376.db2.gz QWPYWXHBMOSCLW-UHFFFAOYSA-N -1 3 342.399 2.385 10 30 EEEEHM CO[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000595377751 468831403 /nfs/dbraw/zinc/83/14/03/468831403.db2.gz UBNZHYPQGPJVRC-LBPRGKRZSA-N -1 3 328.459 2.493 10 30 EEEEHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)CCCC#N)on1 ZINC000595404786 468840541 /nfs/dbraw/zinc/84/05/41/468840541.db2.gz NQNWKIQFRWQHDW-UHFFFAOYSA-N -1 3 335.385 2.073 10 30 EEEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCCC#N ZINC000599274601 469185350 /nfs/dbraw/zinc/18/53/50/469185350.db2.gz BKBJFUCOGDBSDR-UHFFFAOYSA-N -1 3 338.307 2.176 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000192990295 527415830 /nfs/dbraw/zinc/41/58/30/527415830.db2.gz SAIVZJVGKSCTJA-CYBMUJFWSA-N -1 3 331.821 2.440 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1[O-] ZINC000760213604 577658839 /nfs/dbraw/zinc/65/88/39/577658839.db2.gz RKUNRSGQDJJRPO-LIQPLZLLSA-N -1 3 345.443 2.188 10 30 EEEEHM C#CCN(CC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)C1CCCCC1 ZINC000741780022 578123822 /nfs/dbraw/zinc/12/38/22/578123822.db2.gz GTXJWSCRVLNUTD-HNNXBMFYSA-N -1 3 328.460 2.482 10 30 EEEEHM C#CCC1(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001486656409 1194139187 /nfs/dbraw/zinc/13/91/87/1194139187.db2.gz RSCIZAARYOYDLJ-KBPBESRZSA-N -1 3 328.412 2.209 10 30 EEEEHM C=CCCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001487354893 1197370676 /nfs/dbraw/zinc/37/06/76/1197370676.db2.gz MNYFRGQDECMDNX-RHSMWYFYSA-N -1 3 346.427 2.094 10 30 EEEEHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000119597414 1197811618 /nfs/dbraw/zinc/81/16/18/1197811618.db2.gz HVMNKNCUKZFTHL-CQSZACIVSA-N -1 3 341.392 2.345 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867779891 1201678006 /nfs/dbraw/zinc/67/80/06/1201678006.db2.gz IMVOINNQYMGUDC-WDEREUQCSA-N -1 3 345.346 2.376 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)C(=O)OCC ZINC000882644464 1201912587 /nfs/dbraw/zinc/91/25/87/1201912587.db2.gz GQSOGFHYYJDGJP-RYUDHWBXSA-N -1 3 339.404 2.239 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1ccc(F)cc1)C(=O)OCC ZINC000882644874 1201912789 /nfs/dbraw/zinc/91/27/89/1201912789.db2.gz FRRBCDKIADSMSN-HNNXBMFYSA-N -1 3 343.420 2.186 10 30 EEEEHM C#CCOc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001190447901 1280909707 /nfs/dbraw/zinc/90/97/07/1280909707.db2.gz VJSJXGKUEFBVBI-UHFFFAOYSA-N -1 3 346.364 2.085 10 30 EEEEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000867304650 1285548930 /nfs/dbraw/zinc/54/89/30/1285548930.db2.gz PIDAMXYLZFKWFS-SPLOXXLWSA-N -1 3 343.474 2.374 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Cl)n(C)n1 ZINC000859477687 1294450459 /nfs/dbraw/zinc/45/04/59/1294450459.db2.gz IXNOMJCXIIUILX-UHFFFAOYSA-N -1 3 348.790 2.339 10 30 EEEEHM C#CC[C@H](COC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000860470761 1294978889 /nfs/dbraw/zinc/97/88/89/1294978889.db2.gz WOYQDHAVKXRMPO-OAHLLOKOSA-N -1 3 340.383 2.317 10 30 EEEEHM C#CCCN1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000840951480 1315444730 /nfs/dbraw/zinc/44/47/30/1315444730.db2.gz AEFCUVNEFNMODE-UHFFFAOYSA-N -1 3 344.839 2.245 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001263323489 1322461146 /nfs/dbraw/zinc/46/11/46/1322461146.db2.gz RHMYQWGFYXSTQN-JSGCOSHPSA-N -1 3 345.403 2.220 10 30 EEEEHM CN(CCCNC(=O)c1ncccc1[O-])Cc1cc(C#N)ccc1F ZINC001264979153 1322828981 /nfs/dbraw/zinc/82/89/81/1322828981.db2.gz XBZZPSDMHHMZGT-UHFFFAOYSA-N -1 3 342.374 2.050 10 30 EEEEHM CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001283366017 1326031977 /nfs/dbraw/zinc/03/19/77/1326031977.db2.gz COBGHYWUKNPTGK-CQSZACIVSA-N -1 3 328.412 2.115 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@@]1(NC(=O)c2cn[n-]n2)CCCC[C@H]1C ZINC001285152798 1326891642 /nfs/dbraw/zinc/89/16/42/1326891642.db2.gz UYAYAOGIZVBQHC-ACJLOTCBSA-N -1 3 347.463 2.202 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001285787855 1327153046 /nfs/dbraw/zinc/15/30/46/1327153046.db2.gz IYCCUKOACMWCTP-RDJZCZTQSA-N -1 3 342.439 2.456 10 30 EEEEHM C=CCC1(C(=O)N2CC[C@](C)(NC(=O)c3cn[n-]n3)C2)CCCCC1 ZINC001286097785 1327288921 /nfs/dbraw/zinc/28/89/21/1327288921.db2.gz QTXPTINRXAMVKL-KRWDZBQOSA-N -1 3 345.447 2.052 10 30 EEEEHM C=CCC1(C(=O)NCCC[C@@H](C)NC(=O)c2cn[n-]n2)CCCCC1 ZINC001287257658 1327455008 /nfs/dbraw/zinc/45/50/08/1327455008.db2.gz NRLSMWOETAZXBZ-CQSZACIVSA-N -1 3 347.463 2.346 10 30 EEEEHM C=C(C)CCC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001343877454 1337354936 /nfs/dbraw/zinc/35/49/36/1337354936.db2.gz WWFOJCZAZMOSPT-GDBMZVCRSA-N -1 3 328.412 2.421 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)nn1 ZINC001435097329 1341980567 /nfs/dbraw/zinc/98/05/67/1341980567.db2.gz MUOZGSSMMJEXMB-UHFFFAOYSA-N -1 3 326.385 2.159 10 30 EEEEHM O=C(CN1CCc2ccccc2C1=O)N([O-])Cc1ccc(F)cc1 ZINC001654828867 1354158836 /nfs/dbraw/zinc/15/88/36/1354158836.db2.gz KCVGPKNOHSCACY-UHFFFAOYSA-N -1 3 328.343 2.242 10 30 EEEEHM C=CCOc1ccc(C[N-]S(=O)(=O)c2cc(OC)ns2)cc1 ZINC001655292461 1354169670 /nfs/dbraw/zinc/16/96/70/1354169670.db2.gz QIDPEYFAIBCCGV-UHFFFAOYSA-N -1 3 340.426 2.195 10 30 EEEEHM C=CCCC(=O)NC[C@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001661855843 1354710054 /nfs/dbraw/zinc/71/00/54/1354710054.db2.gz BLPFEZDYNBXNEM-MRXNPFEDSA-N -1 3 344.459 2.497 10 30 EEEEHM CC#CCN[C@@H](CNC(=O)c1ncccc1[O-])c1ccccc1CC ZINC001699933427 1405583948 /nfs/dbraw/zinc/58/39/48/1405583948.db2.gz LXQJXTQOBCVXRW-KRWDZBQOSA-N -1 3 337.423 2.434 10 30 EEEEHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OCC ZINC001211881153 782347346 /nfs/dbraw/zinc/34/73/46/782347346.db2.gz HVJJLUUHGFXRLX-CYBMUJFWSA-N -1 3 347.383 2.449 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(C2SCCCS2)cc1 ZINC000816690560 784196960 /nfs/dbraw/zinc/19/69/60/784196960.db2.gz VUCRHQBFXMSBJQ-LBPRGKRZSA-N -1 3 338.454 2.275 10 30 EEEEHM C=CCN1CCC(NC(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000917142272 798117542 /nfs/dbraw/zinc/11/75/42/798117542.db2.gz XOIUQGVMSBCGNC-UHFFFAOYSA-N -1 3 339.386 2.163 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(O)cccc1F ZINC001178410913 799464997 /nfs/dbraw/zinc/46/49/97/799464997.db2.gz YPHVMSXVHZGWPO-UHFFFAOYSA-N -1 3 343.358 2.369 10 30 EEEEHM C#CCNC(=O)C1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001568077360 1124282643 /nfs/dbraw/zinc/28/26/43/1124282643.db2.gz VSVBCDLOQAIGBZ-UHFFFAOYSA-N -1 3 342.420 2.209 10 30 EEEEHM C=CCC[C@@H](CO)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000456768625 244353348 /nfs/dbraw/zinc/35/33/48/244353348.db2.gz ONYHGNVACNTZTN-LBPRGKRZSA-N -1 3 328.206 2.141 10 30 EEEEHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(N2CCCC2)nn1 ZINC000155118277 224361428 /nfs/dbraw/zinc/36/14/28/224361428.db2.gz IOFQDFNMZAHXSQ-CQSZACIVSA-N -1 3 335.367 2.038 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127801197 292331225 /nfs/dbraw/zinc/33/12/25/292331225.db2.gz LECSPVZCIMVMED-SWLSCSKDSA-N -1 3 340.420 2.307 10 30 EEEEHM Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344312076 161216429 /nfs/dbraw/zinc/21/64/29/161216429.db2.gz ZELACNLLETUMQP-UHFFFAOYSA-N -1 3 342.380 2.124 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c1 ZINC000356246998 163379620 /nfs/dbraw/zinc/37/96/20/163379620.db2.gz BOOITTVIPZASEU-LBPRGKRZSA-N -1 3 342.829 2.285 10 30 EEEEHM Cc1cc(C#N)nc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000286135176 267313619 /nfs/dbraw/zinc/31/36/19/267313619.db2.gz NDUOUIUXSNECMQ-UHFFFAOYSA-N -1 3 337.383 2.217 10 30 EEEEHM Cc1ccc([O-])c(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000272638604 269002346 /nfs/dbraw/zinc/00/23/46/269002346.db2.gz YYECFYPESPBMKT-MRXNPFEDSA-N -1 3 336.395 2.253 10 30 EEEEHM CCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)o1 ZINC000297079671 465244991 /nfs/dbraw/zinc/24/49/91/465244991.db2.gz NKEUCPKNHRAJTM-UHFFFAOYSA-N -1 3 337.376 2.176 10 30 EEEEHM N#Cc1cccc(CN(Cc2ccco2)Cc2cc(=O)[n-]c(=O)[nH]2)c1 ZINC000048308528 462892609 /nfs/dbraw/zinc/89/26/09/462892609.db2.gz HRIBYSQTMFDUHH-UHFFFAOYSA-N -1 3 336.351 2.143 10 30 EEEEHM N#Cc1ccc(C(=O)[N-]c2nc3ccc(Br)cn3n2)nc1 ZINC000084425394 463602080 /nfs/dbraw/zinc/60/20/80/463602080.db2.gz OOXXLRUBBWDIPD-UHFFFAOYSA-N -1 3 343.144 2.011 10 30 EEEEHM C=CC[C@@H](C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000298929829 465543757 /nfs/dbraw/zinc/54/37/57/465543757.db2.gz MTOQXLMXZIZNJQ-HUUCEWRRSA-N -1 3 326.400 2.164 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)CCCC1 ZINC000353416423 465867434 /nfs/dbraw/zinc/86/74/34/465867434.db2.gz XPEIWHLSUPVKSL-UHFFFAOYSA-N -1 3 344.440 2.376 10 30 EEEEHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000340764071 466319807 /nfs/dbraw/zinc/31/98/07/466319807.db2.gz BTVXUHIBBGZNNA-UHFFFAOYSA-N -1 3 340.792 2.117 10 30 EEEEHM N#C[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCN1C1CC1 ZINC000370400908 466861863 /nfs/dbraw/zinc/86/18/63/466861863.db2.gz SLKUZFJYVVMMEN-HNNXBMFYSA-N -1 3 325.412 2.083 10 30 EEEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000373820742 466932039 /nfs/dbraw/zinc/93/20/39/466932039.db2.gz YTHHNSSLJZONBP-HOCLYGCPSA-N -1 3 347.465 2.343 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000425180420 467087556 /nfs/dbraw/zinc/08/75/56/467087556.db2.gz SLJHIGHAANZIFP-JQWIXIFHSA-N -1 3 331.821 2.218 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000528558407 467702565 /nfs/dbraw/zinc/70/25/65/467702565.db2.gz XEJDEKQLVQCUEI-LFNDISMMSA-N -1 3 328.821 2.302 10 30 EEEEHM C[C@H](CC#N)C(=O)Nc1cc(I)ccc1[O-] ZINC000597440799 468556301 /nfs/dbraw/zinc/55/63/01/468556301.db2.gz GEOPSFPAHHJIFA-SSDOTTSWSA-N -1 3 330.125 2.485 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594768720 468678757 /nfs/dbraw/zinc/67/87/57/468678757.db2.gz OHBHVQSOTCFLIY-GFCCVEGCSA-N -1 3 336.438 2.297 10 30 EEEEHM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c2c(n1)CCCC2 ZINC000560915951 468854539 /nfs/dbraw/zinc/85/45/39/468854539.db2.gz XVLRDDMSLYPVPQ-UHFFFAOYSA-N -1 3 327.409 2.363 10 30 EEEEHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCOC1 ZINC000593297267 468932325 /nfs/dbraw/zinc/93/23/25/468932325.db2.gz YBXQSSFTFFVCPF-AWEZNQCLSA-N -1 3 331.416 2.236 10 30 EEEEHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593571710 469041041 /nfs/dbraw/zinc/04/10/41/469041041.db2.gz AKUXHZQNCMJHJB-CYBMUJFWSA-N -1 3 349.481 2.419 10 30 EEEEHM N#CC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCC1 ZINC000593623484 469064576 /nfs/dbraw/zinc/06/45/76/469064576.db2.gz MMAWFOFUDPGKKI-UHFFFAOYSA-N -1 3 333.335 2.463 10 30 EEEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000617039359 469581292 /nfs/dbraw/zinc/58/12/92/469581292.db2.gz GJZJOAAPNVXTKC-JSGCOSHPSA-N -1 3 340.445 2.361 10 30 EEEEHM C=CCC1(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)CCOCC1 ZINC000636321095 470296441 /nfs/dbraw/zinc/29/64/41/470296441.db2.gz BXBKZBBOAYLUDG-UHFFFAOYSA-N -1 3 331.416 2.439 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CCOCC1 ZINC000657129468 471976231 /nfs/dbraw/zinc/97/62/31/471976231.db2.gz OOVZDBOCRRNCHK-CYBMUJFWSA-N -1 3 339.461 2.184 10 30 EEEEHM C#C[C@H](NCc1cc(Br)c([O-])c(OC)c1)[C@@H]1CCCO1 ZINC000775339167 577435289 /nfs/dbraw/zinc/43/52/89/577435289.db2.gz AICPVPISUVJLHF-STQMWFEESA-N -1 3 340.217 2.434 10 30 EEEEHM C#C[C@@H](NCc1cc(Br)c([O-])c(OC)c1)[C@H]1CCCO1 ZINC000775339161 577435296 /nfs/dbraw/zinc/43/52/96/577435296.db2.gz AICPVPISUVJLHF-CHWSQXEVSA-N -1 3 340.217 2.434 10 30 EEEEHM O=C1N=C(NN=Cc2ccc(-c3ccc(Cl)cc3)s2)[N-]C1=O ZINC000765584974 577503482 /nfs/dbraw/zinc/50/34/82/577503482.db2.gz UZDWDJHXNVIASL-UHFFFAOYSA-N -1 3 332.772 2.004 10 30 EEEEHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000770416787 577595832 /nfs/dbraw/zinc/59/58/32/577595832.db2.gz AIUNFQYFUPPJSS-QGZVFWFLSA-N -1 3 348.399 2.159 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2COC3(CCCCC3)O2)CCCC1 ZINC000759077363 577636658 /nfs/dbraw/zinc/63/66/58/577636658.db2.gz YMOORTQJKIWXDA-CQSZACIVSA-N -1 3 342.461 2.066 10 30 EEEEHM C#CCC1(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)CCCCC1 ZINC000899498457 693765338 /nfs/dbraw/zinc/76/53/38/693765338.db2.gz QSJKZALYDLJFCV-UHFFFAOYSA-N -1 3 342.443 2.113 10 30 EEEEHM C#CCN1CCC(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000928653279 686153267 /nfs/dbraw/zinc/15/32/67/686153267.db2.gz GTYGCLWNOZBCHV-UHFFFAOYSA-N -1 3 326.318 2.238 10 30 EEEEHM Cc1c([C@@H](NCc2ccc(C(C)(C)C#N)cc2)C(=O)[O-])cnn1C ZINC000904048008 694282577 /nfs/dbraw/zinc/28/25/77/694282577.db2.gz LZTDKNCIQGMRBS-MRXNPFEDSA-N -1 3 326.400 2.445 10 30 EEEEHM O=C(C[C@@H]1CCS(=O)(=O)C1)N([O-])CCCCc1ccccc1 ZINC000904200592 694327380 /nfs/dbraw/zinc/32/73/80/694327380.db2.gz DYCFCKKKUSWGOV-HNNXBMFYSA-N -1 3 325.430 2.052 10 30 EEEEHM CCCCN([O-])C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1 ZINC000904216057 694329043 /nfs/dbraw/zinc/32/90/43/694329043.db2.gz WFHFRXRQEHHILV-MRXNPFEDSA-N -1 3 330.425 2.326 10 30 EEEEHM C=CCC1(C(=O)N[C@@H]2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001268294209 1182188178 /nfs/dbraw/zinc/18/81/78/1182188178.db2.gz LSLWVWPFMHYEKZ-ZIAGYGMSSA-N -1 3 347.463 2.021 10 30 EEEEHM Cc1cccc2c1OCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000814858544 1199766379 /nfs/dbraw/zinc/76/63/79/1199766379.db2.gz BBUNTDNYCHEDJK-UHFFFAOYSA-N -1 3 330.409 2.254 10 30 EEEEHM Cn1c(COC(=O)c2cc([O-])cc(C#N)c2)nnc1-c1ccccc1 ZINC000811188411 1199917701 /nfs/dbraw/zinc/91/77/01/1199917701.db2.gz JAHIWPVYFAAPLY-UHFFFAOYSA-N -1 3 334.335 2.416 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C#N)C1CCCC1 ZINC001133070257 1200396318 /nfs/dbraw/zinc/39/63/18/1200396318.db2.gz RNAAYHIZLYLAHB-INIZCTEOSA-N -1 3 326.400 2.407 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000691850463 1210765285 /nfs/dbraw/zinc/76/52/85/1210765285.db2.gz LMTKFENRHUCJET-UHFFFAOYSA-N -1 3 325.217 2.259 10 30 EEEEHM C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001413701660 1254373125 /nfs/dbraw/zinc/37/31/25/1254373125.db2.gz GKIUWUMMHWXBQB-ZCFIWIBFSA-N -1 3 327.241 2.325 10 30 EEEEHM C=C(C)CCC(=O)NCc1nc(CNC(=O)[C@@H](C)C(C)C)cc(=O)[n-]1 ZINC001489968301 1290881711 /nfs/dbraw/zinc/88/17/11/1290881711.db2.gz GCABELURPPSLIX-ZDUSSCGKSA-N -1 3 348.447 2.063 10 30 EEEEHM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000796745290 1304570652 /nfs/dbraw/zinc/57/06/52/1304570652.db2.gz IGIYRVCPTVXDQX-GFCCVEGCSA-N -1 3 331.763 2.474 10 30 EEEEHM C=C(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001280718360 1324434995 /nfs/dbraw/zinc/43/49/95/1324434995.db2.gz BYWVXHIYCUROFW-RHSMWYFYSA-N -1 3 346.427 2.094 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@H](CC)CNC(=O)c2ccccc2[O-])cc1 ZINC001285036428 1326839619 /nfs/dbraw/zinc/83/96/19/1326839619.db2.gz FDIUIZNBJGRMTA-MRXNPFEDSA-N -1 3 336.391 2.312 10 30 EEEEHM C=CCCOCC(=O)N(CC)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001297328608 1329962303 /nfs/dbraw/zinc/96/23/03/1329962303.db2.gz LMWLKGSNGLYWFH-OAHLLOKOSA-N -1 3 346.427 2.048 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001316716084 1331822553 /nfs/dbraw/zinc/82/25/53/1331822553.db2.gz PUOITCXKBCNOQB-WAYWQWQTSA-N -1 3 338.839 2.243 10 30 EEEEHM C=CCn1cccc1C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001584879374 1348769325 /nfs/dbraw/zinc/76/93/25/1348769325.db2.gz XRINJFONFZUEDZ-UHFFFAOYSA-N -1 3 339.395 2.072 10 30 EEEEHM C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001625081483 1352439844 /nfs/dbraw/zinc/43/98/44/1352439844.db2.gz VFPXOAYWXRDCDC-UHFFFAOYSA-N -1 3 340.354 2.152 10 30 EEEEHM C#CC[C@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000843677043 770054130 /nfs/dbraw/zinc/05/41/30/770054130.db2.gz DHABOZRGRLPESG-HNNXBMFYSA-N -1 3 325.412 2.470 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000820179509 785824014 /nfs/dbraw/zinc/82/40/14/785824014.db2.gz LVCXVYMCOGHBMD-VIFPVBQESA-N -1 3 328.155 2.195 10 30 EEEEHM N#CCSc1ccccc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852753 787777699 /nfs/dbraw/zinc/77/76/99/787777699.db2.gz PZDRXYCANRXORB-LLVKDONJSA-N -1 3 328.397 2.361 10 30 EEEEHM CCCCCCN([O-])C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001184315172 801969409 /nfs/dbraw/zinc/96/94/09/801969409.db2.gz SEGSIKYAANWUIP-OLZOCXBDSA-N -1 3 330.425 2.467 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001464147320 1110388138 /nfs/dbraw/zinc/38/81/38/1110388138.db2.gz LVCHKKSAMBIQDW-UHFFFAOYSA-N -1 3 332.834 2.431 10 30 EEEEHM C[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])CN1C(=O)C#CC(C)(C)C ZINC001511253009 1118020407 /nfs/dbraw/zinc/02/04/07/1118020407.db2.gz APPNOXJYIYOZPE-KGLIPLIRSA-N -1 3 328.412 2.161 10 30 EEEEHM CN(CCCNCc1cc(F)ccc1C#N)C(=O)c1ncccc1[O-] ZINC001569197361 1125159500 /nfs/dbraw/zinc/15/95/00/1125159500.db2.gz NZLOVIAPHKRGTP-UHFFFAOYSA-N -1 3 342.374 2.050 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000125327777 292295715 /nfs/dbraw/zinc/29/57/15/292295715.db2.gz UUUIZKNXRDIIJT-CQSZACIVSA-N -1 3 336.438 2.081 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000128236710 292338585 /nfs/dbraw/zinc/33/85/85/292338585.db2.gz NGIRLCIWGGYXLS-UHFFFAOYSA-N -1 3 348.403 2.487 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)s1 ZINC000435420868 268257254 /nfs/dbraw/zinc/25/72/54/268257254.db2.gz GEXULUKXHIMJFT-UHFFFAOYSA-N -1 3 345.405 2.352 10 30 EEEEHM Cc1csc(C2([N-]S(=O)(=O)c3cncc(C#N)c3)CCC2)n1 ZINC000289487625 464081230 /nfs/dbraw/zinc/08/12/30/464081230.db2.gz OSWDKBPWSWWEPS-UHFFFAOYSA-N -1 3 334.426 2.076 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000291417443 464154386 /nfs/dbraw/zinc/15/43/86/464154386.db2.gz FUXBYOJYCZSARG-CQSZACIVSA-N -1 3 331.416 2.234 10 30 EEEEHM COc1ccccc1N1CC[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000268066153 464948529 /nfs/dbraw/zinc/94/85/29/464948529.db2.gz HKIPZUVMNRYWIS-LKKXKRCMSA-N -1 3 341.411 2.294 10 30 EEEEHM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000362612764 465883771 /nfs/dbraw/zinc/88/37/71/465883771.db2.gz IMKCLDVJAHHIPI-SNVBAGLBSA-N -1 3 337.376 2.259 10 30 EEEEHM N#Cc1ccccc1CSCCNC(=O)NCc1ncccc1[O-] ZINC000349188254 466009856 /nfs/dbraw/zinc/00/98/56/466009856.db2.gz BBRXDWONKWEHKL-UHFFFAOYSA-N -1 3 342.424 2.391 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000374719341 466723192 /nfs/dbraw/zinc/72/31/92/466723192.db2.gz NSIDKSQZBRTNIO-UHFFFAOYSA-N -1 3 327.409 2.425 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000425178669 467087566 /nfs/dbraw/zinc/08/75/66/467087566.db2.gz MQZQNFPDYTVMDE-GWCFXTLKSA-N -1 3 331.821 2.218 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000428392039 467228479 /nfs/dbraw/zinc/22/84/79/467228479.db2.gz SFTBYIBHVNLHIP-BWACUDIHSA-N -1 3 343.408 2.185 10 30 EEEEHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000414461912 467413110 /nfs/dbraw/zinc/41/31/10/467413110.db2.gz PBEBNJRTRJUMNF-UHFFFAOYSA-N -1 3 344.440 2.433 10 30 EEEEHM C=CCNC(=O)Nc1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000431724939 467535187 /nfs/dbraw/zinc/53/51/87/467535187.db2.gz XPPPPYRIMSBKAB-UHFFFAOYSA-N -1 3 342.355 2.361 10 30 EEEEHM C[C@]1(C[N-]S(=O)(=O)CC2(C#N)CCC2)OCCc2sccc21 ZINC000578373037 468202440 /nfs/dbraw/zinc/20/24/40/468202440.db2.gz RLLKHXRBDBKAEY-CQSZACIVSA-N -1 3 340.470 2.149 10 30 EEEEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000569699975 468530790 /nfs/dbraw/zinc/53/07/90/468530790.db2.gz FGBGYCWIHNTIPG-MFKMUULPSA-N -1 3 330.837 2.287 10 30 EEEEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000594478409 468600116 /nfs/dbraw/zinc/60/01/16/468600116.db2.gz GCLXBZRNWIMOMX-CYBMUJFWSA-N -1 3 328.409 2.427 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000599359970 469226408 /nfs/dbraw/zinc/22/64/08/469226408.db2.gz HQNLFIHBSPWGKE-UHFFFAOYSA-N -1 3 347.458 2.424 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC000599444892 469260004 /nfs/dbraw/zinc/26/00/04/469260004.db2.gz GXVYUSRRIQBOEN-GFCCVEGCSA-N -1 3 335.385 2.491 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000625326314 470120023 /nfs/dbraw/zinc/12/00/23/470120023.db2.gz RHEDMWSJADHBAC-UHFFFAOYSA-N -1 3 328.434 2.170 10 30 EEEEHM N#CCC1(CS(=O)(=O)[N-]CC(=O)c2cccc(F)c2Cl)CC1 ZINC000625501950 470157036 /nfs/dbraw/zinc/15/70/36/470157036.db2.gz ZPALJXTXMGKAGL-UHFFFAOYSA-N -1 3 344.795 2.275 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632537089 470242977 /nfs/dbraw/zinc/24/29/77/470242977.db2.gz YAFXLVACKJAGDO-UHFFFAOYSA-N -1 3 325.356 2.464 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000680932599 486091782 /nfs/dbraw/zinc/09/17/82/486091782.db2.gz XODHYNXMURTSFD-AWEZNQCLSA-N -1 3 325.372 2.036 10 30 EEEEHM N#Cc1cccnc1NCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000755152303 577820626 /nfs/dbraw/zinc/82/06/26/577820626.db2.gz SFILKOGYJOKOSX-UHFFFAOYSA-N -1 3 336.395 2.380 10 30 EEEEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)c1sccc1C#N ZINC000744899516 577905083 /nfs/dbraw/zinc/90/50/83/577905083.db2.gz OJFPJQADOUKDHC-JTQLQIEISA-N -1 3 344.396 2.005 10 30 EEEEHM CC(C)[C@H]1C[C@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184485 694314836 /nfs/dbraw/zinc/31/48/36/694314836.db2.gz RPYQHXZHVHMJCW-HUUCEWRRSA-N -1 3 330.384 2.183 10 30 EEEEHM N#Cc1ccc(F)c(CNC/C=C\CNC(=O)c2ccccc2[O-])c1 ZINC001268512983 1183151315 /nfs/dbraw/zinc/15/13/15/1183151315.db2.gz IELNRVVHCDBXOE-ARJAWSKDSA-N -1 3 339.370 2.479 10 30 EEEEHM C=CCCO[C@H](C)C(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001299506481 1205310984 /nfs/dbraw/zinc/31/09/84/1205310984.db2.gz YAAPRVBGYCYMKZ-KUHUBIRLSA-N -1 3 346.427 2.094 10 30 EEEEHM CC[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903102817 1239737666 /nfs/dbraw/zinc/73/76/66/1239737666.db2.gz UPRSUKDYPIFNOF-VIFPVBQESA-N -1 3 335.198 2.310 10 30 EEEEHM C=C[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001188164269 1279781340 /nfs/dbraw/zinc/78/13/40/1279781340.db2.gz OZJTWMRMOBHADK-LURJTMIESA-N -1 3 325.615 2.350 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CCOCC1 ZINC000851829919 1291867465 /nfs/dbraw/zinc/86/74/65/1291867465.db2.gz SVFYOMHQIYFOMV-GFCCVEGCSA-N -1 3 349.239 2.095 10 30 EEEEHM Cc1cc(Br)c(F)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000861828141 1295555413 /nfs/dbraw/zinc/55/54/13/1295555413.db2.gz OLESYCOCKIZTQV-JTQLQIEISA-N -1 3 345.168 2.007 10 30 EEEEHM C#C[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)C1 ZINC001123419964 1310558356 /nfs/dbraw/zinc/55/83/56/1310558356.db2.gz MLONSPGRKMGFFX-ZDUSSCGKSA-N -1 3 338.415 2.009 10 30 EEEEHM C[C@@H](C#N)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001429989948 1340081663 /nfs/dbraw/zinc/08/16/63/1340081663.db2.gz ILWNBGWKAUKQCP-BBRMVZONSA-N -1 3 337.379 2.139 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC001628370233 1352532192 /nfs/dbraw/zinc/53/21/92/1352532192.db2.gz LZJUMRCAYYWQKL-GFCCVEGCSA-N -1 3 347.758 2.247 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000816691118 784199335 /nfs/dbraw/zinc/19/93/35/784199335.db2.gz LKNOKPRFUQDPIZ-LURJTMIESA-N -1 3 343.817 2.245 10 30 EEEEHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nncn1C ZINC000908125101 785071987 /nfs/dbraw/zinc/07/19/87/785071987.db2.gz OTCYJGSCXUDTKI-CYBMUJFWSA-N -1 3 333.342 2.292 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000909067182 785980142 /nfs/dbraw/zinc/98/01/42/785980142.db2.gz JARKUIFOSMGSKU-BHYGNILZSA-N -1 3 345.443 2.226 10 30 EEEEHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000917520826 798253682 /nfs/dbraw/zinc/25/36/82/798253682.db2.gz UQLQOSTWZRCTQO-SNVBAGLBSA-N -1 3 334.738 2.482 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCC[C@H]2CC)n1 ZINC001479608973 1098630678 /nfs/dbraw/zinc/63/06/78/1098630678.db2.gz RAACLPTVEAZAMW-GDBMZVCRSA-N -1 3 344.459 2.128 10 30 EEEEHM C=CCOCCCC(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001497056580 1101903380 /nfs/dbraw/zinc/90/33/80/1101903380.db2.gz GJEHBTRYIISZSG-OAHLLOKOSA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCCC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001466391447 1110434841 /nfs/dbraw/zinc/43/48/41/1110434841.db2.gz QEBCJLSJVSDLLZ-GFCCVEGCSA-N -1 3 345.374 2.349 10 30 EEEEHM C=CCCC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001466391447 1110434842 /nfs/dbraw/zinc/43/48/42/1110434842.db2.gz QEBCJLSJVSDLLZ-GFCCVEGCSA-N -1 3 345.374 2.349 10 30 EEEEHM CCCCN([O-])C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC001472620721 1110560835 /nfs/dbraw/zinc/56/08/35/1110560835.db2.gz NSFZVKXEFZJZSX-HNNXBMFYSA-N -1 3 342.461 2.316 10 30 EEEEHM COc1cnc(F)c(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)c1 ZINC001472635713 1110561642 /nfs/dbraw/zinc/56/16/42/1110561642.db2.gz NUXZPJKYNZQTMZ-UHFFFAOYSA-N -1 3 338.302 2.138 10 30 EEEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C[C@@H](C)CCC)C(=O)OCC ZINC001475578673 1110615094 /nfs/dbraw/zinc/61/50/94/1110615094.db2.gz LFWOSPQSDIZPDK-CMPLNLGQSA-N -1 3 325.858 2.416 10 30 EEEEHM C=CCOCCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511210173 1118001752 /nfs/dbraw/zinc/00/17/52/1118001752.db2.gz CFASSLCASYHPOO-LSDHHAIUSA-N -1 3 346.427 2.094 10 30 EEEEHM C=C(C)CCC(=O)N1CCCC[C@@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001532580543 1122814092 /nfs/dbraw/zinc/81/40/92/1122814092.db2.gz YSIDAQGNZIGTFI-CQSZACIVSA-N -1 3 346.431 2.040 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nc(-c3ccc(OC)cc3)ns2)nn1 ZINC001537376327 1124004654 /nfs/dbraw/zinc/00/46/54/1124004654.db2.gz CNUAFXYKLAIBNQ-UHFFFAOYSA-N -1 3 342.384 2.244 10 30 EEEEHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cc(C#N)ccn1 ZINC000359491466 153395868 /nfs/dbraw/zinc/39/58/68/153395868.db2.gz DVWYRMAWXWWRHP-UHFFFAOYSA-N -1 3 338.758 2.076 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC[C@@H]1C#N ZINC000072270448 463491559 /nfs/dbraw/zinc/49/15/59/463491559.db2.gz AKPVXGFXTQSUDP-CZUORRHYSA-N -1 3 327.384 2.422 10 30 EEEEHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)s1 ZINC000173812999 464318229 /nfs/dbraw/zinc/31/82/29/464318229.db2.gz NZILWLJPCUGXNZ-UHFFFAOYSA-N -1 3 325.390 2.195 10 30 EEEEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC000272443939 464611366 /nfs/dbraw/zinc/61/13/66/464611366.db2.gz BAKTUIZPAKPYIE-UHFFFAOYSA-N -1 3 349.412 2.016 10 30 EEEEHM C=CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000274664785 464751160 /nfs/dbraw/zinc/75/11/60/464751160.db2.gz PZODFKYOIHYWSN-UHFFFAOYSA-N -1 3 342.373 2.016 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2Cc3ccccc3[C@@H]2O)c(Cl)c1 ZINC000183699001 464900107 /nfs/dbraw/zinc/90/01/07/464900107.db2.gz NGJHOTGNICWJLH-HOCLYGCPSA-N -1 3 348.811 2.148 10 30 EEEEHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cscc2C#N)ccc1F ZINC000432408257 467238755 /nfs/dbraw/zinc/23/87/55/467238755.db2.gz SPTLEZKWBNQZTC-UHFFFAOYSA-N -1 3 339.373 2.383 10 30 EEEEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000527326815 467658363 /nfs/dbraw/zinc/65/83/63/467658363.db2.gz KZDDDUHHPOKGCF-MRXNPFEDSA-N -1 3 340.420 2.307 10 30 EEEEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000527326814 467658583 /nfs/dbraw/zinc/65/85/83/467658583.db2.gz KZDDDUHHPOKGCF-INIZCTEOSA-N -1 3 340.420 2.307 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c1 ZINC000528450889 467684601 /nfs/dbraw/zinc/68/46/01/467684601.db2.gz QLJWNEDUKCHAHN-NSHDSACASA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c(Cl)c1 ZINC000528452990 467684666 /nfs/dbraw/zinc/68/46/66/467684666.db2.gz XZKRXNMYARKHEX-NSHDSACASA-N -1 3 328.821 2.307 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000528553734 467702197 /nfs/dbraw/zinc/70/21/97/467702197.db2.gz PDGORWJFHBSMQA-PUXPGTEJSA-N -1 3 328.821 2.302 10 30 EEEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1(CO)CC=CC1 ZINC000592101495 468624541 /nfs/dbraw/zinc/62/45/41/468624541.db2.gz NEBJXXWVBPGTFD-CQSZACIVSA-N -1 3 340.470 2.251 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1C)C1CCOCC1 ZINC000592351184 468681334 /nfs/dbraw/zinc/68/13/34/468681334.db2.gz CGGNSNYJMIAUIF-INIZCTEOSA-N -1 3 338.429 2.050 10 30 EEEEHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593552443 469031468 /nfs/dbraw/zinc/03/14/68/469031468.db2.gz GFFLCNNJSMQXIL-YPMHNXCESA-N -1 3 336.438 2.063 10 30 EEEEHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593552442 469031583 /nfs/dbraw/zinc/03/15/83/469031583.db2.gz GFFLCNNJSMQXIL-WCQYABFASA-N -1 3 336.438 2.063 10 30 EEEEHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccsc2C#N)CCCC1 ZINC000593585687 469048343 /nfs/dbraw/zinc/04/83/43/469048343.db2.gz IBTQIANAWLNQJY-UHFFFAOYSA-N -1 3 342.442 2.164 10 30 EEEEHM N#C[C@]1(NC(=O)Cc2ccc(Br)cc2[O-])CCSC1 ZINC000614910818 469093508 /nfs/dbraw/zinc/09/35/08/469093508.db2.gz DYWALADWDKEPPY-CYBMUJFWSA-N -1 3 341.230 2.213 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000599361632 469227334 /nfs/dbraw/zinc/22/73/34/469227334.db2.gz VYBGKXBBVJTZDR-UHFFFAOYSA-N -1 3 329.393 2.493 10 30 EEEEHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000356360677 526377726 /nfs/dbraw/zinc/37/77/26/526377726.db2.gz MEHUJNKQMWOQNE-GFCCVEGCSA-N -1 3 347.297 2.024 10 30 EEEEHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000356360677 526377733 /nfs/dbraw/zinc/37/77/33/526377733.db2.gz MEHUJNKQMWOQNE-GFCCVEGCSA-N -1 3 347.297 2.024 10 30 EEEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cnc2ccccc2n1 ZINC000255552720 678676146 /nfs/dbraw/zinc/67/61/46/678676146.db2.gz LXPYGVKQFGEEGJ-QIAWRQBBSA-N -1 3 343.346 2.386 10 30 EEEEHM O=C(CN1CCN(C2CC2)C1=O)N([O-])Cc1cccc2ccccc21 ZINC000904172935 694318964 /nfs/dbraw/zinc/31/89/64/694318964.db2.gz MFLDCMMWYRHEGS-UHFFFAOYSA-N -1 3 339.395 2.458 10 30 EEEEHM C[C@]1(C(=O)N([O-])CCCCc2ccccc2)CCCS1(=O)=O ZINC000904192556 694324394 /nfs/dbraw/zinc/32/43/94/694324394.db2.gz QBRSCZPMEHBUCT-MRXNPFEDSA-N -1 3 325.430 2.194 10 30 EEEEHM C=C(C)CCC(=O)NC[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001670646610 1176968459 /nfs/dbraw/zinc/96/84/59/1176968459.db2.gz XRKMIJMBAFEYLF-OAHLLOKOSA-N -1 3 330.432 2.106 10 30 EEEEHM C#CCCOc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001625917178 1181794880 /nfs/dbraw/zinc/79/48/80/1181794880.db2.gz SIQBMMKEXXGITB-UHFFFAOYSA-N -1 3 347.378 2.445 10 30 EEEEHM C#CCCOc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001625917178 1181794886 /nfs/dbraw/zinc/79/48/86/1181794886.db2.gz SIQBMMKEXXGITB-UHFFFAOYSA-N -1 3 347.378 2.445 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCOCC1 ZINC000885843008 1202446709 /nfs/dbraw/zinc/44/67/09/1202446709.db2.gz NHVYQICOSAFYSH-UHFFFAOYSA-N -1 3 329.368 2.124 10 30 EEEEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000867304648 1285549247 /nfs/dbraw/zinc/54/92/47/1285549247.db2.gz PIDAMXYLZFKWFS-LHSJRXKWSA-N -1 3 343.474 2.374 10 30 EEEEHM C#CCCCC(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001488616889 1290108201 /nfs/dbraw/zinc/10/82/01/1290108201.db2.gz CCJZQGAAFUKRRX-UHFFFAOYSA-N -1 3 326.396 2.084 10 30 EEEEHM C=C(C)CCC(=O)N(CC)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001488923599 1290284966 /nfs/dbraw/zinc/28/49/66/1290284966.db2.gz QWWQZGZPELIHCT-CYBMUJFWSA-N -1 3 343.431 2.281 10 30 EEEEHM N#Cc1ccc(C2(C(=O)N3CCc4nc[n-]c(=O)c4C3)CCCC2)cc1 ZINC000860345910 1294934180 /nfs/dbraw/zinc/93/41/80/1294934180.db2.gz PCIWDKDHNVAQIX-UHFFFAOYSA-N -1 3 348.406 2.451 10 30 EEEEHM CCn1ncc(C(=O)[N-]Oc2cccc(C#N)c2)c1Br ZINC001151437810 1316535309 /nfs/dbraw/zinc/53/53/09/1316535309.db2.gz RTOOIGZWSMWHJK-UHFFFAOYSA-N -1 3 335.161 2.261 10 30 EEEEHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001161463404 1320508522 /nfs/dbraw/zinc/50/85/22/1320508522.db2.gz WCFXHXHPDZXKKH-OAHLLOKOSA-N -1 3 334.375 2.487 10 30 EEEEHM C=C(C)CCC(=O)NCC[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001280927082 1324644681 /nfs/dbraw/zinc/64/46/81/1324644681.db2.gz VRFDBWZTDYVWGK-CQSZACIVSA-N -1 3 348.447 2.108 10 30 EEEEHM CC(C)C#CC(=O)N[C@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001281189789 1324847458 /nfs/dbraw/zinc/84/74/58/1324847458.db2.gz VVLLWKATKAFPMP-XLIONFOSSA-N -1 3 340.423 2.305 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001285058093 1326848853 /nfs/dbraw/zinc/84/88/53/1326848853.db2.gz OCITWYUNRGYULG-GFCCVEGCSA-N -1 3 343.431 2.185 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288217346 1327673627 /nfs/dbraw/zinc/67/36/27/1327673627.db2.gz UNULZOAMRFLYHE-CYBMUJFWSA-N -1 3 348.447 2.045 10 30 EEEEHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](CNC(=O)C#CC2CC2)C1 ZINC001290281513 1328170071 /nfs/dbraw/zinc/17/00/71/1328170071.db2.gz IIQTZQTZNOQPBG-ZBFHGGJFSA-N -1 3 340.423 2.163 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC#N)C(F)(F)F)c1 ZINC001303849711 1331368065 /nfs/dbraw/zinc/36/80/65/1331368065.db2.gz VSSQVAHWSDUYEF-LLVKDONJSA-N -1 3 327.262 2.091 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001339014844 1336945118 /nfs/dbraw/zinc/94/51/18/1336945118.db2.gz MJWROEHAHJBOLJ-VIFPVBQESA-N -1 3 325.319 2.449 10 30 EEEEHM CCCCCCN([O-])C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC001611655634 1352303157 /nfs/dbraw/zinc/30/31/57/1352303157.db2.gz LSMULYXCGQYESI-UHFFFAOYSA-N -1 3 330.388 2.383 10 30 EEEEHM C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001572044599 1343370209 /nfs/dbraw/zinc/37/02/09/1343370209.db2.gz UDTBKDSHCZRTMV-HDJSIYSDSA-N -1 3 328.412 2.373 10 30 EEEEHM C#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001573703963 1343654639 /nfs/dbraw/zinc/65/46/39/1343654639.db2.gz ZLKIPOYFENFXMW-QRWLVFNGSA-N -1 3 340.423 2.116 10 30 EEEEHM C#CCC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001679030134 1357614121 /nfs/dbraw/zinc/61/41/21/1357614121.db2.gz ZGGQLVLMGZOXOK-SHTZXODSSA-N -1 3 340.423 2.210 10 30 EEEEHM COc1cccc([C@H](C#N)NC(=O)c2cccc(O)c2[O-])c1OC ZINC001627355474 1352493318 /nfs/dbraw/zinc/49/33/18/1352493318.db2.gz AMYSPIMQWRLXLS-LBPRGKRZSA-N -1 3 328.324 2.110 10 30 EEEEHM C=CC1(CC(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001691745302 1370948579 /nfs/dbraw/zinc/94/85/79/1370948579.db2.gz GTOQVPZLAKAUJP-OKILXGFUSA-N -1 3 347.463 2.021 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000921382743 773317936 /nfs/dbraw/zinc/31/79/36/773317936.db2.gz IURDAQQNPAYXJQ-NEPJUHHUSA-N -1 3 339.404 2.239 10 30 EEEEHM O=C(CCCOc1cccc2ccccc21)N[C@H]1CCN([O-])C1=O ZINC000816693572 784200477 /nfs/dbraw/zinc/20/04/77/784200477.db2.gz NRTISMAWHRYAEM-HNNXBMFYSA-N -1 3 328.368 2.105 10 30 EEEEHM COc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816694094 784200854 /nfs/dbraw/zinc/20/08/54/784200854.db2.gz YIZADUCAWAXAIF-LLVKDONJSA-N -1 3 332.381 2.144 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000820179780 785823920 /nfs/dbraw/zinc/82/39/20/785823920.db2.gz QDODHTBISWPBKI-CQSZACIVSA-N -1 3 345.786 2.486 10 30 EEEEHM C/C(=C\C(=O)N[C@@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820179610 785825027 /nfs/dbraw/zinc/82/50/27/785825027.db2.gz MVLDEXYMNFYCSG-IDVQTMNDSA-N -1 3 328.290 2.215 10 30 EEEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCCC(F)(F)[C@@H]1O ZINC000910471054 786801843 /nfs/dbraw/zinc/80/18/43/786801843.db2.gz AKBIZLCQERUFNM-NWDGAFQWSA-N -1 3 330.281 2.315 10 30 EEEEHM C#CC[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000843998408 788795024 /nfs/dbraw/zinc/79/50/24/788795024.db2.gz CFBUYIBMUVHVIV-OAHLLOKOSA-N -1 3 328.412 2.082 10 30 EEEEHM C=C1CCC(C[N-]S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000921597978 789841828 /nfs/dbraw/zinc/84/18/28/789841828.db2.gz BVUXISOGEXNKQR-UHFFFAOYSA-N -1 3 348.266 2.207 10 30 EEEEHM N#CCSCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000805397646 811249130 /nfs/dbraw/zinc/24/91/30/811249130.db2.gz YPFUESKLTVALPB-AWEZNQCLSA-N -1 3 348.424 2.187 10 30 EEEEHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cn2c(n1)CCCC2 ZINC000807966219 812391119 /nfs/dbraw/zinc/39/11/19/812391119.db2.gz HXNHHCNPHXZWEX-UHFFFAOYSA-N -1 3 332.429 2.063 10 30 EEEEHM C=CCCC(=O)N1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001506245395 1114496644 /nfs/dbraw/zinc/49/66/44/1114496644.db2.gz MBIZSLYOKXYIJJ-LJQANCHMSA-N -1 3 328.412 2.423 10 30 EEEEHM C=CCCCN(CC)c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCOC1 ZINC001519592915 1119091655 /nfs/dbraw/zinc/09/16/55/1119091655.db2.gz RMSGMIVBIGDKJO-ZDUSSCGKSA-N -1 3 347.419 2.468 10 30 EEEEHM C=C[C@H](C)[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001526115503 1120441457 /nfs/dbraw/zinc/44/14/57/1120441457.db2.gz UBKORFJIZNGZBT-QKNJOQAUSA-N -1 3 328.412 2.037 10 30 EEEEHM C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001527091351 1120657979 /nfs/dbraw/zinc/65/79/79/1120657979.db2.gz UDKDAMHVGGOXQF-HNNXBMFYSA-N -1 3 328.412 2.164 10 30 EEEEHM C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001529296798 1121396120 /nfs/dbraw/zinc/39/61/20/1121396120.db2.gz ZOTQSYLPEANPGH-CYBMUJFWSA-N -1 3 341.415 2.035 10 30 EEEEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C#N)cn3C)c2)n1 ZINC000081028516 159147679 /nfs/dbraw/zinc/14/76/79/159147679.db2.gz QTQSAFZZXAYIRU-UHFFFAOYSA-N -1 3 347.378 2.462 10 30 EEEEHM COC(=O)c1ccc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)o1 ZINC000121998837 221991476 /nfs/dbraw/zinc/99/14/76/221991476.db2.gz QIMLGCMVHCMUDK-UHFFFAOYSA-N -1 3 325.324 2.464 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000443353331 268067563 /nfs/dbraw/zinc/06/75/63/268067563.db2.gz SMXLHVVSOHJLMF-ZDUSSCGKSA-N -1 3 336.438 2.249 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000416649811 268182533 /nfs/dbraw/zinc/18/25/33/268182533.db2.gz JIYBPNIGNVEZJP-GWCFXTLKSA-N -1 3 328.821 2.041 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nccs2)c(F)c1 ZINC000581782134 324320530 /nfs/dbraw/zinc/32/05/30/324320530.db2.gz OXGISYDBWPQMOL-UHFFFAOYSA-N -1 3 325.390 2.065 10 30 EEEEHM CCOc1ccc(-n2ncc(C([O-])=C(C#N)c3ccccn3)c2C)nn1 ZINC000049456821 462969919 /nfs/dbraw/zinc/96/99/19/462969919.db2.gz AFJGPXDHGNNRDT-ZDUSSCGKSA-N -1 3 348.366 2.255 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000186667274 464046282 /nfs/dbraw/zinc/04/62/82/464046282.db2.gz JQYCEAOFMHIMFW-MRVPVSSYSA-N -1 3 340.264 2.034 10 30 EEEEHM C=CCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000279509081 464115720 /nfs/dbraw/zinc/11/57/20/464115720.db2.gz JGXYLIMRPTZRRF-UHFFFAOYSA-N -1 3 341.408 2.354 10 30 EEEEHM COc1nnc(NC(=O)c2occc2COc2cccc(C#N)c2)[n-]1 ZINC000179367566 464119090 /nfs/dbraw/zinc/11/90/90/464119090.db2.gz SMTMRQYJJFZRFO-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM COc1n[n-]c(NC(=O)c2occc2COc2cccc(C#N)c2)n1 ZINC000179367566 464119098 /nfs/dbraw/zinc/11/90/98/464119098.db2.gz SMTMRQYJJFZRFO-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM COc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)n[n-]1 ZINC000179367566 464119101 /nfs/dbraw/zinc/11/91/01/464119101.db2.gz SMTMRQYJJFZRFO-UHFFFAOYSA-N -1 3 339.311 2.109 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cn(C)nc1C1CC1 ZINC000291072864 464143737 /nfs/dbraw/zinc/14/37/37/464143737.db2.gz NBXCLTKLTITLPL-UHFFFAOYSA-N -1 3 339.399 2.458 10 30 EEEEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)O1 ZINC000188742997 464357333 /nfs/dbraw/zinc/35/73/33/464357333.db2.gz BGQPOZRSNQAGDD-NSHDSACASA-N -1 3 328.821 2.448 10 30 EEEEHM N#Cc1ccc(C2(C(=O)Nc3nnc(-c4ccccn4)[n-]3)CC2)cc1 ZINC000189177009 464451350 /nfs/dbraw/zinc/45/13/50/464451350.db2.gz DWZOOHUSJUYJOT-UHFFFAOYSA-N -1 3 330.351 2.409 10 30 EEEEHM N#Cc1ccc(C2(C(=O)Nc3nc(-c4ccccn4)n[n-]3)CC2)cc1 ZINC000189177009 464451353 /nfs/dbraw/zinc/45/13/53/464451353.db2.gz DWZOOHUSJUYJOT-UHFFFAOYSA-N -1 3 330.351 2.409 10 30 EEEEHM N#Cc1ccc(C2(C(=O)Nc3n[n-]c(-c4ccccn4)n3)CC2)cc1 ZINC000189177009 464451356 /nfs/dbraw/zinc/45/13/56/464451356.db2.gz DWZOOHUSJUYJOT-UHFFFAOYSA-N -1 3 330.351 2.409 10 30 EEEEHM C=C(Cl)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000265544456 464597784 /nfs/dbraw/zinc/59/77/84/464597784.db2.gz PJUPFQQZXYPLRS-UHFFFAOYSA-N -1 3 332.791 2.354 10 30 EEEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000580036545 468453397 /nfs/dbraw/zinc/45/33/97/468453397.db2.gz SYGUQOUENRCPGG-MNOVXSKESA-N -1 3 336.335 2.112 10 30 EEEEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(Cl)c1 ZINC000416535183 466740238 /nfs/dbraw/zinc/74/02/38/466740238.db2.gz ZOAROZZPBXUFCL-UHFFFAOYSA-N -1 3 344.820 2.345 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000425181699 467087939 /nfs/dbraw/zinc/08/79/39/467087939.db2.gz XJLZDXSZWLNAQC-JSGCOSHPSA-N -1 3 340.401 2.081 10 30 EEEEHM COc1cccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1[O-] ZINC000378299770 467256701 /nfs/dbraw/zinc/25/67/01/467256701.db2.gz RORKGSJQIQVXHV-KRWDZBQOSA-N -1 3 338.363 2.486 10 30 EEEEHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2cccc(C#N)c2)ccc1F ZINC000531387717 468048810 /nfs/dbraw/zinc/04/88/10/468048810.db2.gz UQDKQRALVMDAPJ-UHFFFAOYSA-N -1 3 347.371 2.250 10 30 EEEEHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C)c(C#N)c2)on1 ZINC000600664406 468614951 /nfs/dbraw/zinc/61/49/51/468614951.db2.gz UPLOFIBMDGTGII-GFCCVEGCSA-N -1 3 347.396 2.105 10 30 EEEEHM C=CCCSCC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000594818019 468695625 /nfs/dbraw/zinc/69/56/25/468695625.db2.gz RASAPXJPWKJNGB-UHFFFAOYSA-N -1 3 347.458 2.271 10 30 EEEEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccsc2C#N)CC[C@@H](C)CC1 ZINC000594833136 468700463 /nfs/dbraw/zinc/70/04/63/468700463.db2.gz XXYIBVSDLXFGJA-YPFXGUDJSA-N -1 3 342.442 2.020 10 30 EEEEHM CC(C)(F)C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000601476474 468889794 /nfs/dbraw/zinc/88/97/94/468889794.db2.gz QPOXZQNAJRNIKY-UHFFFAOYSA-N -1 3 335.198 2.347 10 30 EEEEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC1(C#N)CCOCC1 ZINC000598825331 469015038 /nfs/dbraw/zinc/01/50/38/469015038.db2.gz BDDFNUWEGBCDFN-UHFFFAOYSA-N -1 3 335.360 2.063 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000593542996 469026144 /nfs/dbraw/zinc/02/61/44/469026144.db2.gz YCTKZFABIRTSSK-LLVKDONJSA-N -1 3 334.422 2.464 10 30 EEEEHM CO[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593602774 469054308 /nfs/dbraw/zinc/05/43/08/469054308.db2.gz GLCRGBKOGJFVRJ-ZDUSSCGKSA-N -1 3 336.438 2.156 10 30 EEEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000599320240 469209385 /nfs/dbraw/zinc/20/93/85/469209385.db2.gz NYCCFOFVVQLWAK-QWRGUYRKSA-N -1 3 345.371 2.086 10 30 EEEEHM Cc1ccc([O-])c(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 ZINC000611260150 469211405 /nfs/dbraw/zinc/21/14/05/469211405.db2.gz KINHQCFUUKZSAA-UHFFFAOYSA-N -1 3 339.399 2.155 10 30 EEEEHM C=CC[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000628487196 470112100 /nfs/dbraw/zinc/11/21/00/470112100.db2.gz ZQWKPYHEBLCVHT-SNVBAGLBSA-N -1 3 348.877 2.104 10 30 EEEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000632642203 470255003 /nfs/dbraw/zinc/25/50/03/470255003.db2.gz OKCDLLLUEKBAIR-UHFFFAOYSA-N -1 3 345.486 2.361 10 30 EEEEHM C=CC(C)(C)CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000628317266 485711928 /nfs/dbraw/zinc/71/19/28/485711928.db2.gz CDAWBOBUALSQLV-LLVKDONJSA-N -1 3 330.475 2.133 10 30 EEEEHM Cc1ncc(CO)c(/C=N/C2CCN(C(=O)OC(C)C)CC2)c1[O-] ZINC000732927078 577197465 /nfs/dbraw/zinc/19/74/65/577197465.db2.gz XVWQLWLSFQJIGF-DJKKODMXSA-N -1 3 335.404 2.016 10 30 EEEEHM CCCC[C@@H](ON=C(C)C)C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 ZINC000767742828 577543957 /nfs/dbraw/zinc/54/39/57/577543957.db2.gz YRKCLECMHYPQPK-GFCCVEGCSA-N -1 3 349.391 2.083 10 30 EEEEHM CCCC[C@H](ON=C(C)C)C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 ZINC000767742829 577543989 /nfs/dbraw/zinc/54/39/89/577543989.db2.gz YRKCLECMHYPQPK-LBPRGKRZSA-N -1 3 349.391 2.083 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)CCCC1 ZINC000759050628 577636262 /nfs/dbraw/zinc/63/62/62/577636262.db2.gz RLPGJFXMYIQDRO-AWEZNQCLSA-N -1 3 342.848 2.377 10 30 EEEEHM C#CCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000760868160 577671085 /nfs/dbraw/zinc/67/10/85/577671085.db2.gz IOWFSPSXHSPEDF-UHFFFAOYSA-N -1 3 343.408 2.091 10 30 EEEEHM C=CCCCC(=O)NC[C@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001266480258 1176612740 /nfs/dbraw/zinc/61/27/40/1176612740.db2.gz NDIVUKHWYZMHMW-MRXNPFEDSA-N -1 3 344.459 2.497 10 30 EEEEHM C=CCC(C)(C)C(=O)NCC1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001268883162 1183791162 /nfs/dbraw/zinc/79/11/62/1183791162.db2.gz BXKWBFHSNUWAFJ-UHFFFAOYSA-N -1 3 344.459 2.210 10 30 EEEEHM CC(C)(C)C#CC(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001486581155 1194097279 /nfs/dbraw/zinc/09/72/79/1194097279.db2.gz HXBRABKGZVGCPZ-UHFFFAOYSA-N -1 3 328.412 2.066 10 30 EEEEHM C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001487089080 1197195490 /nfs/dbraw/zinc/19/54/90/1197195490.db2.gz LDUBJVXPXCBPBJ-ZDUSSCGKSA-N -1 3 329.400 2.101 10 30 EEEEHM C[C@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000811187814 1199917108 /nfs/dbraw/zinc/91/71/08/1199917108.db2.gz YSQYRAGULMJGHG-NSHDSACASA-N -1 3 342.326 2.437 10 30 EEEEHM CC(=O)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Cl ZINC000879149941 1200889468 /nfs/dbraw/zinc/88/94/68/1200889468.db2.gz ZGDCWLMWXHUGEP-LBPRGKRZSA-N -1 3 325.752 2.044 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)C(=O)OCC ZINC000882645019 1201912639 /nfs/dbraw/zinc/91/26/39/1201912639.db2.gz HURMHLYGACRDPK-GHMZBOCLSA-N -1 3 345.383 2.392 10 30 EEEEHM C=CCCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OC ZINC000928315509 1206372129 /nfs/dbraw/zinc/37/21/29/1206372129.db2.gz RXVWCNHNHKZCLN-CQSZACIVSA-N -1 3 328.368 2.156 10 30 EEEEHM CC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)N(CC)CC ZINC000778724873 1208332538 /nfs/dbraw/zinc/33/25/38/1208332538.db2.gz WMGCWTUQZHNBJG-AWEZNQCLSA-N -1 3 343.493 2.027 10 30 EEEEHM C#CCCCCC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001489644438 1290640002 /nfs/dbraw/zinc/64/00/02/1290640002.db2.gz AUTDDFPGUXLCGL-NVXWUHKLSA-N -1 3 340.423 2.259 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1nc(CNC(=O)CCC(C)C)cc(=O)[n-]1 ZINC001489968310 1290881064 /nfs/dbraw/zinc/88/10/64/1290881064.db2.gz GKZPDPQRRZFVJV-UHFFFAOYSA-N -1 3 348.447 2.063 10 30 EEEEHM O=C(/C=C/c1csc(C(F)(F)F)c1)N[C@H]1CCCN([O-])C1=O ZINC000861828499 1295555782 /nfs/dbraw/zinc/55/57/82/1295555782.db2.gz SDQNLMCZVIIKRF-NWALNABHSA-N -1 3 334.319 2.277 10 30 EEEEHM CC(C)(C)CCCCC(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001264581307 1322737531 /nfs/dbraw/zinc/73/75/31/1322737531.db2.gz DQKLNZFZEONERG-UHFFFAOYSA-N -1 3 333.436 2.018 10 30 EEEEHM C[C@@H](NC(=O)c1ccccc1[O-])C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001280613260 1324340292 /nfs/dbraw/zinc/34/02/92/1324340292.db2.gz OFFCEAFZWQGUIR-CYBMUJFWSA-N -1 3 328.412 2.018 10 30 EEEEHM C=CCOCC(=O)N1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001284473185 1326571623 /nfs/dbraw/zinc/57/16/23/1326571623.db2.gz NMRIZQMIXBHIFK-HNNXBMFYSA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCCC(=O)NC[C@@H](CC(C)C)NC(=O)c1cccc2n[n-]nc21 ZINC001285251886 1326929183 /nfs/dbraw/zinc/92/91/83/1326929183.db2.gz FLNOYLLBKAIHEZ-CYBMUJFWSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001340733529 1337237572 /nfs/dbraw/zinc/23/75/72/1337237572.db2.gz QLCBCXVRSGOSNV-VHSXEESVSA-N -1 3 332.799 2.031 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001340733529 1337237574 /nfs/dbraw/zinc/23/75/74/1337237574.db2.gz QLCBCXVRSGOSNV-VHSXEESVSA-N -1 3 332.799 2.031 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001346356216 1337483358 /nfs/dbraw/zinc/48/33/58/1337483358.db2.gz RVNLTDXGHDAWLO-DGCLKSJQSA-N -1 3 332.383 2.201 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C#N)s2)c1 ZINC001626827169 1352474642 /nfs/dbraw/zinc/47/46/42/1352474642.db2.gz ZPAVLKJDBLCJHI-UHFFFAOYSA-N -1 3 327.365 2.380 10 30 EEEEHM N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCN([O-])C3=O)c2)cc1 ZINC001628369996 1352532212 /nfs/dbraw/zinc/53/22/12/1352532212.db2.gz HTYGVBBJTLIYQZ-MRXNPFEDSA-N -1 3 336.351 2.022 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]1[C@H]1CCCOC1 ZINC001647016098 1353107312 /nfs/dbraw/zinc/10/73/12/1353107312.db2.gz NKIJRQGIZMSNNL-YOEHRIQHSA-N -1 3 343.427 2.236 10 30 EEEEHM C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001675417383 1356974736 /nfs/dbraw/zinc/97/47/36/1356974736.db2.gz HHMDYTBYOYZOCD-HNAYVOBHSA-N -1 3 345.443 2.059 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@H](C)CC)n1 ZINC001684815562 1358281901 /nfs/dbraw/zinc/28/19/01/1358281901.db2.gz MHUNEUXROFUVJV-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CC12CCN(C(=O)c1ccccc1[O-])CC2 ZINC001687925409 1358676447 /nfs/dbraw/zinc/67/64/47/1358676447.db2.gz QZLKPOAVNHYWSY-QGZVFWFLSA-N -1 3 340.423 2.163 10 30 EEEEHM C=C(C)C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908997359 785926962 /nfs/dbraw/zinc/92/69/62/785926962.db2.gz KCIPNVNOPDVYCD-IAGOWNOFSA-N -1 3 345.443 2.370 10 30 EEEEHM CC(C)([N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)F ZINC000792402730 809738031 /nfs/dbraw/zinc/73/80/31/809738031.db2.gz BFKWRUAKOTVVCE-UHFFFAOYSA-N -1 3 346.202 2.481 10 30 EEEEHM N#Cc1ccc2nc(NC(=O)CSc3n[n-]c(=S)s3)[nH]c2c1 ZINC001470718971 1110511083 /nfs/dbraw/zinc/51/10/83/1110511083.db2.gz GPMHQMKITDTTBI-UHFFFAOYSA-N -1 3 348.438 2.306 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001500238349 1112695843 /nfs/dbraw/zinc/69/58/43/1112695843.db2.gz SZGGKJVEORRIIZ-LBPRGKRZSA-N -1 3 343.431 2.042 10 30 EEEEHM Cc1cc(=O)[nH]cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000267267866 256043258 /nfs/dbraw/zinc/04/32/58/256043258.db2.gz XXKADLYAECBJIG-UHFFFAOYSA-N -1 3 326.356 2.256 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127362814 292323994 /nfs/dbraw/zinc/32/39/94/292323994.db2.gz ONOOGMIXDXRBNP-UHFFFAOYSA-N -1 3 328.821 2.043 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000528450854 268181985 /nfs/dbraw/zinc/18/19/85/268181985.db2.gz QFPSAUXETJKFOQ-NSHDSACASA-N -1 3 328.821 2.307 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000336845435 465050948 /nfs/dbraw/zinc/05/09/48/465050948.db2.gz AYVVQRPUTUCFIC-NWDGAFQWSA-N -1 3 328.821 2.041 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2cncn2c1 ZINC000297123279 465245878 /nfs/dbraw/zinc/24/58/78/465245878.db2.gz HFERBUMDGRLEJS-UHFFFAOYSA-N -1 3 349.394 2.172 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)s1 ZINC000590764641 468332852 /nfs/dbraw/zinc/33/28/52/468332852.db2.gz LCQPWPSEFMMCDB-UHFFFAOYSA-N -1 3 336.385 2.448 10 30 EEEEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000288780757 464058299 /nfs/dbraw/zinc/05/82/99/464058299.db2.gz LEKBHAVMGSGTRR-UHFFFAOYSA-N -1 3 335.360 2.352 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000180602674 464346696 /nfs/dbraw/zinc/34/66/96/464346696.db2.gz DEWUVWHGTUKQAJ-UHFFFAOYSA-N -1 3 325.752 2.224 10 30 EEEEHM N#CCCCOc1cccnc1NC(=O)NCc1ncccc1[O-] ZINC000344086293 465583000 /nfs/dbraw/zinc/58/30/00/465583000.db2.gz GIZZNZDNJUWMCP-UHFFFAOYSA-N -1 3 327.344 2.186 10 30 EEEEHM C=CCOc1ccc(Br)cc1[N-]S(=O)(=O)N1CCC1 ZINC000414389500 467410841 /nfs/dbraw/zinc/41/08/41/467410841.db2.gz RKLAOGOQLZELOC-UHFFFAOYSA-N -1 3 347.234 2.376 10 30 EEEEHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1cccs1 ZINC000582268899 468514467 /nfs/dbraw/zinc/51/44/67/468514467.db2.gz IEVVHQYTFUDMTA-ZDUSSCGKSA-N -1 3 342.486 2.421 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000594486442 468605195 /nfs/dbraw/zinc/60/51/95/468605195.db2.gz FVNNQGBBRBKORG-KGLIPLIRSA-N -1 3 326.393 2.323 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)CCCC1 ZINC000594492565 468607697 /nfs/dbraw/zinc/60/76/97/468607697.db2.gz XWZJTJQEQLLTBN-CQSZACIVSA-N -1 3 326.462 2.482 10 30 EEEEHM C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(F)F ZINC000592067455 468610808 /nfs/dbraw/zinc/61/08/08/468610808.db2.gz QJXHKEVSJKYDAF-MRVPVSSYSA-N -1 3 333.316 2.036 10 30 EEEEHM C=CCOCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594851074 468704750 /nfs/dbraw/zinc/70/47/50/468704750.db2.gz WRYGIDNVAURYSX-UHFFFAOYSA-N -1 3 328.390 2.083 10 30 EEEEHM N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000597905893 468707582 /nfs/dbraw/zinc/70/75/82/468707582.db2.gz HVTRFDDJGOPYLF-HOCLYGCPSA-N -1 3 341.411 2.149 10 30 EEEEHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(F)F ZINC000595351625 468821572 /nfs/dbraw/zinc/82/15/72/468821572.db2.gz IVAODIMNLNYKTJ-NSHDSACASA-N -1 3 345.327 2.036 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCc3cccnc32)c(F)c1 ZINC000601526596 468908180 /nfs/dbraw/zinc/90/81/80/468908180.db2.gz NAGXGWVOZIRTGE-CYBMUJFWSA-N -1 3 331.372 2.101 10 30 EEEEHM C=C(C)C[C@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(=O)OC ZINC000601782039 469021823 /nfs/dbraw/zinc/02/18/23/469021823.db2.gz NLGAMXVTEHSJBK-AWEZNQCLSA-N -1 3 346.358 2.213 10 30 EEEEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000616453598 469451342 /nfs/dbraw/zinc/45/13/42/469451342.db2.gz BDDLJNSVUXLJPE-MRXNPFEDSA-N -1 3 340.420 2.307 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@](C)(C#N)C1)c2=O ZINC000612397347 469455245 /nfs/dbraw/zinc/45/52/45/469455245.db2.gz GFUZGUXEBGKKAN-GOSISDBHSA-N -1 3 325.368 2.303 10 30 EEEEHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C#N)CCCCCC2)oc1C ZINC000191094770 533910251 /nfs/dbraw/zinc/91/02/51/533910251.db2.gz IBPRGPAGDZQDRK-UHFFFAOYSA-N -1 3 340.401 2.270 10 30 EEEEHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000438469331 534365859 /nfs/dbraw/zinc/36/58/59/534365859.db2.gz VTJZEYCYKWPCHH-KPZWWZAWSA-N -1 3 342.395 2.248 10 30 EEEEHM C=CCOC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)OC ZINC000356338172 526807772 /nfs/dbraw/zinc/80/77/72/526807772.db2.gz JDGANTUYSFAGPV-HNNXBMFYSA-N -1 3 329.352 2.019 10 30 EEEEHM CCOc1ccc(/C=N/Cc2ncccc2S(C)(=O)=O)c([O-])c1 ZINC000775231694 577433209 /nfs/dbraw/zinc/43/32/09/577433209.db2.gz JAADYWFVWLPGSC-LICLKQGHSA-N -1 3 334.397 2.209 10 30 EEEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1cc(=O)c([O-])co1 ZINC000736795984 578224138 /nfs/dbraw/zinc/22/41/38/578224138.db2.gz HSBWGLAHDGUCPL-KRWDZBQOSA-N -1 3 343.335 2.364 10 30 EEEEHM C=CCOc1ccc(CN[C@@H](C)c2nnc(C(=O)OCC)[n-]2)cc1 ZINC000895234164 684330747 /nfs/dbraw/zinc/33/07/47/684330747.db2.gz BTPHRTIWFBZHBU-LBPRGKRZSA-N -1 3 330.388 2.397 10 30 EEEEHM CSCCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184613 694314624 /nfs/dbraw/zinc/31/46/24/694314624.db2.gz VJPHNVIGBJSIIH-UHFFFAOYSA-N -1 3 336.413 2.034 10 30 EEEEHM CCCCCCN([O-])C(=O)CCNS(=O)(=O)c1ccccc1 ZINC000904205658 694328432 /nfs/dbraw/zinc/32/84/32/694328432.db2.gz RFJOXUXNQOEPSU-UHFFFAOYSA-N -1 3 328.434 2.153 10 30 EEEEHM CCCCN([O-])C(=O)Cc1csc(S[C@@H](CC)C(N)=O)n1 ZINC000904215839 694328905 /nfs/dbraw/zinc/32/89/05/694328905.db2.gz MSRAHBDTOCBPMY-JTQLQIEISA-N -1 3 331.463 2.060 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(C)CC[C@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001485435964 1191784110 /nfs/dbraw/zinc/78/41/10/1191784110.db2.gz VSIYAMQBNFPJDU-ZDUSSCGKSA-N -1 3 337.468 2.075 10 30 EEEEHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000794903878 1201462918 /nfs/dbraw/zinc/46/29/18/1201462918.db2.gz RVNBSZXGXRGRCP-UHFFFAOYSA-N -1 3 345.380 2.377 10 30 EEEEHM O=C(/C=C\c1ccsc1C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000868563295 1201835933 /nfs/dbraw/zinc/83/59/33/1201835933.db2.gz QAVFONRIPMNUGH-TYRPZCRBSA-N -1 3 334.319 2.277 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)OCC ZINC000882646710 1201913296 /nfs/dbraw/zinc/91/32/96/1201913296.db2.gz YIBLHFRBJYZOCF-GFCCVEGCSA-N -1 3 333.356 2.141 10 30 EEEEHM Cc1oc(C(=O)N([O-])Cc2ccc(F)cc2)cc1S(C)(=O)=O ZINC000901371787 1235626979 /nfs/dbraw/zinc/62/69/79/1235626979.db2.gz IDTVXFBSAZQXFU-UHFFFAOYSA-N -1 3 327.333 2.162 10 30 EEEEHM C#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001190547233 1280944008 /nfs/dbraw/zinc/94/40/08/1280944008.db2.gz GXCADBMFZBRILP-UHFFFAOYSA-N -1 3 334.328 2.194 10 30 EEEEHM COC(=O)CN(Cc1ccncc1C#N)Cc1cc(Cl)ccc1[O-] ZINC001191681614 1281527761 /nfs/dbraw/zinc/52/77/61/1281527761.db2.gz FSFAFKMCWAHOID-UHFFFAOYSA-N -1 3 345.786 2.487 10 30 EEEEHM C=CCC[C@@H](C)N1CC2(C1)C[C@H](NC(=O)c1ccccc1[O-])CO2 ZINC001273676092 1283020584 /nfs/dbraw/zinc/02/05/84/1283020584.db2.gz RHBUUZLPPBQISF-CABCVRRESA-N -1 3 330.428 2.320 10 30 EEEEHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001161463403 1320508449 /nfs/dbraw/zinc/50/84/49/1320508449.db2.gz WCFXHXHPDZXKKH-HNNXBMFYSA-N -1 3 334.375 2.487 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)CC(C)(C)C1 ZINC001282408695 1325712638 /nfs/dbraw/zinc/71/26/38/1325712638.db2.gz ZVUGHPGOSHLTPC-KGLIPLIRSA-N -1 3 347.463 2.154 10 30 EEEEHM C=CCC1(C(=O)N2CC[C@@H](NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001283837688 1326280920 /nfs/dbraw/zinc/28/09/20/1326280920.db2.gz RAHODBGDSZYBQR-CQSZACIVSA-N -1 3 328.412 2.469 10 30 EEEEHM CC#CCCCC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001283954817 1326335880 /nfs/dbraw/zinc/33/58/80/1326335880.db2.gz AZOVKQIICMZXNH-MRXNPFEDSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCCC(=O)NC[C@H](CC(C)C)NC(=O)c1cccc2n[n-]nc21 ZINC001285251889 1326929377 /nfs/dbraw/zinc/92/93/77/1326929377.db2.gz FLNOYLLBKAIHEZ-ZDUSSCGKSA-N -1 3 343.431 2.185 10 30 EEEEHM C=CC[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OCC ZINC001321196933 1333042403 /nfs/dbraw/zinc/04/24/03/1333042403.db2.gz ZKUJMAZFOAONQT-HNNXBMFYSA-N -1 3 325.430 2.231 10 30 EEEEHM C=CCC(CC=C)C(=O)NCC1(NC(=O)c2cn[n-]n2)CCCCC1 ZINC001334774520 1336296204 /nfs/dbraw/zinc/29/62/04/1336296204.db2.gz RVADHQDHNIKSAH-UHFFFAOYSA-N -1 3 345.447 2.122 10 30 EEEEHM CC(C)C#CC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001338328568 1336841530 /nfs/dbraw/zinc/84/15/30/1336841530.db2.gz ZNAPVOSTTDTVID-HUUCEWRRSA-N -1 3 328.412 2.066 10 30 EEEEHM C=CCCOCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001339655881 1337045542 /nfs/dbraw/zinc/04/55/42/1337045542.db2.gz SGFOKHUJZLYAFH-CABCVRRESA-N -1 3 346.427 2.094 10 30 EEEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001346356218 1337483241 /nfs/dbraw/zinc/48/32/41/1337483241.db2.gz RVNLTDXGHDAWLO-WCQYABFASA-N -1 3 332.383 2.201 10 30 EEEEHM Cc1ccc(Nc2scnc2C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC001625082764 1352439856 /nfs/dbraw/zinc/43/98/56/1352439856.db2.gz SEUJCACVVLXPTM-GFCCVEGCSA-N -1 3 346.412 2.305 10 30 EEEEHM C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncccc3[O-])n[nH]2)c1C ZINC001633848334 1352618843 /nfs/dbraw/zinc/61/88/43/1352618843.db2.gz IGBBMHROIBNZKO-UHFFFAOYSA-N -1 3 338.371 2.429 10 30 EEEEHM C#CCCCC(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001679515996 1357717401 /nfs/dbraw/zinc/71/74/01/1357717401.db2.gz IFCNRXXSKHWTOI-UHFFFAOYSA-N -1 3 328.412 2.259 10 30 EEEEHM Cc1cc(C)c(C(=O)CCCC(=O)N[C@H]2CCN([O-])C2=O)c(C)c1 ZINC000816691134 784199427 /nfs/dbraw/zinc/19/94/27/784199427.db2.gz LQCHTRFOFNQBBQ-AWEZNQCLSA-N -1 3 332.400 2.071 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000816696821 784203471 /nfs/dbraw/zinc/20/34/71/784203471.db2.gz ITFMCTWEUFKRTN-MRXNPFEDSA-N -1 3 348.362 2.017 10 30 EEEEHM C=C(C)CN1CCC(NC(=O)N2CCc3occc3[C@H]2C(=O)[O-])CC1 ZINC000908945418 785868381 /nfs/dbraw/zinc/86/83/81/785868381.db2.gz CENVEMHAHYJJEB-INIZCTEOSA-N -1 3 347.415 2.014 10 30 EEEEHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000846538029 790235930 /nfs/dbraw/zinc/23/59/30/790235930.db2.gz MNYXVGMMWLBVSY-OAHLLOKOSA-N -1 3 334.391 2.231 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)C(C)C)ccc1F ZINC000172455678 791689631 /nfs/dbraw/zinc/68/96/31/791689631.db2.gz OJIIYNZMBQKLNZ-LBPRGKRZSA-N -1 3 342.436 2.312 10 30 EEEEHM CCCN(CCN1CCCCC1)C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001449355901 1094319244 /nfs/dbraw/zinc/31/92/44/1094319244.db2.gz MSXFEMQHOZVLQO-UHFFFAOYSA-N -1 3 330.432 2.305 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001494499447 1104086460 /nfs/dbraw/zinc/08/64/60/1104086460.db2.gz QNRRWGCJSPHHAD-PGSNGQOISA-N -1 3 328.412 2.181 10 30 EEEEHM N#Cc1ccc(F)cc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001458096603 1109832140 /nfs/dbraw/zinc/83/21/40/1109832140.db2.gz UWSVOJQMXRXMSH-UHFFFAOYSA-N -1 3 325.343 2.365 10 30 EEEEHM COc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(OC2CCCC2)c1 ZINC001468451642 1110474727 /nfs/dbraw/zinc/47/47/27/1110474727.db2.gz CGVYRBGVJRPULQ-OAHLLOKOSA-N -1 3 348.399 2.127 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(C(C)=O)CC1 ZINC001515691036 1118982048 /nfs/dbraw/zinc/98/20/48/1118982048.db2.gz QWQOYXUEXNKKDG-UHFFFAOYSA-N -1 3 331.376 2.020 10 30 EEEEHM C[C@H](C#N)C(=O)N(C)CCCCCCNC(=O)c1ccccc1[O-] ZINC001519638194 1119095213 /nfs/dbraw/zinc/09/52/13/1119095213.db2.gz CRANVFKWTVAWCC-CQSZACIVSA-N -1 3 331.416 2.300 10 30 EEEEHM C=CCC[C@H](CO)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000456768624 244352394 /nfs/dbraw/zinc/35/23/94/244352394.db2.gz ONYHGNVACNTZTN-GFCCVEGCSA-N -1 3 328.206 2.141 10 30 EEEEHM CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000123347638 292280327 /nfs/dbraw/zinc/28/03/27/292280327.db2.gz KEFDRXCAUYGYOY-RISCZKNCSA-N -1 3 341.864 2.219 10 30 EEEEHM CCC[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCOC1 ZINC000352346041 162097300 /nfs/dbraw/zinc/09/73/00/162097300.db2.gz PUUMRJVQXHYBCE-CQSZACIVSA-N -1 3 328.821 2.449 10 30 EEEEHM CCn1cc(C=[NH+][N-]c2nnc(SCc3ccncc3)[n-]2)cn1 ZINC000007504237 462738565 /nfs/dbraw/zinc/73/85/65/462738565.db2.gz JTXNAANNLZHDNK-FRKPEAEDSA-N -1 3 328.405 2.154 10 30 EEEEHM CCn1cc(C=NNc2nnc(SCc3ccncc3)[n-]2)cn1 ZINC000007504237 462738570 /nfs/dbraw/zinc/73/85/70/462738570.db2.gz JTXNAANNLZHDNK-FRKPEAEDSA-N -1 3 328.405 2.154 10 30 EEEEHM Cc1nn(C)c(C)c1C=[NH+][N-]c1nnc(SCc2ccccn2)[n-]1 ZINC000007504236 462738976 /nfs/dbraw/zinc/73/89/76/462738976.db2.gz DWMGTLXITJBAFX-CAOOACKPSA-N -1 3 342.432 2.288 10 30 EEEEHM Cc1nn(C)c(C)c1C=NNc1nnc(SCc2ccccn2)[n-]1 ZINC000007504236 462738980 /nfs/dbraw/zinc/73/89/80/462738980.db2.gz DWMGTLXITJBAFX-CAOOACKPSA-N -1 3 342.432 2.288 10 30 EEEEHM COCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccco1 ZINC000352950920 465575127 /nfs/dbraw/zinc/57/51/27/465575127.db2.gz CECKOWHPGKCGTK-ZDUSSCGKSA-N -1 3 326.418 2.361 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCSC[C@H]1C#N)c2=O ZINC000299125165 465613104 /nfs/dbraw/zinc/61/31/04/465613104.db2.gz XBKAGLXVKKAHPQ-SNVBAGLBSA-N -1 3 329.381 2.030 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CO)c1ccsc1 ZINC000354264876 466427800 /nfs/dbraw/zinc/42/78/00/466427800.db2.gz LPZJWKSJFZYXTC-OAHLLOKOSA-N -1 3 345.424 2.120 10 30 EEEEHM Cc1onc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1C#N ZINC000354372978 466515882 /nfs/dbraw/zinc/51/58/82/466515882.db2.gz QUTXUCHNCYUHRX-UHFFFAOYSA-N -1 3 349.350 2.095 10 30 EEEEHM CC[C@@H](C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000362104794 466560233 /nfs/dbraw/zinc/56/02/33/466560233.db2.gz DKJJRQZPASLKKF-VIFPVBQESA-N -1 3 334.173 2.323 10 30 EEEEHM N#C[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CCN1C1CC1 ZINC000373577041 466852510 /nfs/dbraw/zinc/85/25/10/466852510.db2.gz MFLZXWUWMNCBMZ-NSHDSACASA-N -1 3 339.317 2.223 10 30 EEEEHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000432808120 467265229 /nfs/dbraw/zinc/26/52/29/467265229.db2.gz HUKNMSJLSYOTNC-UHFFFAOYSA-N -1 3 346.412 2.331 10 30 EEEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(CC#N)cc3)cn21 ZINC000575984780 468157761 /nfs/dbraw/zinc/15/77/61/468157761.db2.gz HLYGKVFAVLLVDS-ZDUSSCGKSA-N -1 3 344.440 2.325 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)C(=O)OC ZINC000601500892 468896115 /nfs/dbraw/zinc/89/61/15/468896115.db2.gz DNAQAVLNNRPYPH-NXEZZACHSA-N -1 3 331.356 2.002 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3cccnc32)c(F)c1 ZINC000601526601 468908268 /nfs/dbraw/zinc/90/82/68/468908268.db2.gz NAGXGWVOZIRTGE-ZDUSSCGKSA-N -1 3 331.372 2.101 10 30 EEEEHM COC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCC(C)CC1 ZINC000593589319 469049847 /nfs/dbraw/zinc/04/98/47/469049847.db2.gz PXRJMJMGJWCHPS-UHFFFAOYSA-N -1 3 328.459 2.493 10 30 EEEEHM CC#CC[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000645884051 470449411 /nfs/dbraw/zinc/44/94/11/470449411.db2.gz SOGXKKRXUCRWEW-LBPRGKRZSA-N -1 3 336.240 2.187 10 30 EEEEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416373914 533727708 /nfs/dbraw/zinc/72/77/08/533727708.db2.gz PJOKUOZEXAFRSD-PSASIEDQSA-N -1 3 329.219 2.255 10 30 EEEEHM Cc1ccc(F)c2c1C(=NNc1ccc(S(C)(=O)=O)cc1)C(=O)[N-]2 ZINC000732712547 577189481 /nfs/dbraw/zinc/18/94/81/577189481.db2.gz LDRYJLUFBFWLIL-UHFFFAOYSA-N -1 3 347.371 2.306 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000914257006 683424211 /nfs/dbraw/zinc/42/42/11/683424211.db2.gz SFHGLGYCWMBAPT-GFCCVEGCSA-N -1 3 344.458 2.159 10 30 EEEEHM C=CC(C)(C)CCCNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000896287799 684929064 /nfs/dbraw/zinc/92/90/64/684929064.db2.gz VPNWVHRYLDJKJH-ZDUSSCGKSA-N -1 3 333.436 2.053 10 30 EEEEHM CCCCN([O-])C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000904210149 694323285 /nfs/dbraw/zinc/32/32/85/694323285.db2.gz HOGVQOOCLMUEFJ-GFCCVEGCSA-N -1 3 328.434 2.058 10 30 EEEEHM CC1(Cn2cc(C(=O)N([O-])CCCCc3ccccc3)nn2)COC1 ZINC000904198307 694326860 /nfs/dbraw/zinc/32/68/60/694326860.db2.gz ZLOKVJQOGOAWRO-UHFFFAOYSA-N -1 3 344.415 2.169 10 30 EEEEHM CCCCCCN([O-])C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000904205543 694328419 /nfs/dbraw/zinc/32/84/19/694328419.db2.gz MJDVVGBWRIUAAQ-UHFFFAOYSA-N -1 3 348.490 2.252 10 30 EEEEHM C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001691297884 1177851414 /nfs/dbraw/zinc/85/14/14/1177851414.db2.gz MRVLLUQQXPDYLO-UONOGXRCSA-N -1 3 349.479 2.219 10 30 EEEEHM O=C(/C=C/c1ccsc1C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000868563294 1201835967 /nfs/dbraw/zinc/83/59/67/1201835967.db2.gz QAVFONRIPMNUGH-NWALNABHSA-N -1 3 334.319 2.277 10 30 EEEEHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000134851526 1202326805 /nfs/dbraw/zinc/32/68/05/1202326805.db2.gz GNTJDZSMFKNOLX-UHFFFAOYSA-N -1 3 340.626 2.489 10 30 EEEEHM C=CCCOCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001488251300 1287004134 /nfs/dbraw/zinc/00/41/34/1287004134.db2.gz XQOVWWROOBVFRP-GOEBONIOSA-N -1 3 346.427 2.094 10 30 EEEEHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000856105583 1293406257 /nfs/dbraw/zinc/40/62/57/1293406257.db2.gz ABMCGAOAEWSQKI-CQSZACIVSA-N -1 3 338.310 2.231 10 30 EEEEHM N#Cc1cc([N-]C(=O)c2cn(CC3CC3)nn2)c(Cl)c([N+](=O)[O-])c1 ZINC000839309570 1315206970 /nfs/dbraw/zinc/20/69/70/1315206970.db2.gz ZJSGMQXKWXRYDS-UHFFFAOYSA-N -1 3 346.734 2.374 10 30 EEEEHM C=C/C(C)=C/CC(=O)NCc1nc(CNCC(=C)Cl)cc(=O)[n-]1 ZINC001264027038 1322587909 /nfs/dbraw/zinc/58/79/09/1322587909.db2.gz SNTQZAWPCGRIOJ-VZUCSPMQSA-N -1 3 336.823 2.163 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCCN(CCOC)C(=O)c1ccccc1[O-] ZINC001281325186 1324964875 /nfs/dbraw/zinc/96/48/75/1324964875.db2.gz WFCDTXUWFSFGIK-UHFFFAOYSA-N -1 3 348.443 2.199 10 30 EEEEHM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001285688114 1327109368 /nfs/dbraw/zinc/10/93/68/1327109368.db2.gz WKAJGXLDCLFYFB-OLZOCXBDSA-N -1 3 343.431 2.137 10 30 EEEEHM C#CCC1(C(=O)N2CC(NC(=O)c3ccccc3[O-])C2)CCCCC1 ZINC001297001500 1329935922 /nfs/dbraw/zinc/93/59/22/1329935922.db2.gz MTFHSZQCDNTHII-UHFFFAOYSA-N -1 3 340.423 2.307 10 30 EEEEHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CCN([O-])C1=O ZINC001298427592 1330076721 /nfs/dbraw/zinc/07/67/21/1330076721.db2.gz WLJBBAUKZMCZSC-ZDUSSCGKSA-N -1 3 349.387 2.062 10 30 EEEEHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC001298427590 1330076985 /nfs/dbraw/zinc/07/69/85/1330076985.db2.gz WLJBBAUKZMCZSC-CYBMUJFWSA-N -1 3 349.387 2.062 10 30 EEEEHM C#C[C@H]1CCCCN1c1nnc(-c2nnc(Cl)[n-]2)n1CC(C)C ZINC001344518012 1337399109 /nfs/dbraw/zinc/39/91/09/1337399109.db2.gz FMYLIJZLHWQALH-NSHDSACASA-N -1 3 333.827 2.365 10 30 EEEEHM C#C[C@H]1CCCCN1c1nnc(-c2n[n-]c(Cl)n2)n1CC(C)C ZINC001344518012 1337399111 /nfs/dbraw/zinc/39/91/11/1337399111.db2.gz FMYLIJZLHWQALH-NSHDSACASA-N -1 3 333.827 2.365 10 30 EEEEHM C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2[O-])CCC1 ZINC001356837649 1338907435 /nfs/dbraw/zinc/90/74/35/1338907435.db2.gz JMXSURLNQMPUKN-GJZGRUSLSA-N -1 3 338.407 2.011 10 30 EEEEHM C[C@H](C#N)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001429989960 1340081818 /nfs/dbraw/zinc/08/18/18/1340081818.db2.gz ILWNBGWKAUKQCP-CZUORRHYSA-N -1 3 337.379 2.139 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001627091490 1352483185 /nfs/dbraw/zinc/48/31/85/1352483185.db2.gz PTYXKLFELSFMBI-OLZOCXBDSA-N -1 3 337.379 2.162 10 30 EEEEHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001627306396 1352491697 /nfs/dbraw/zinc/49/16/97/1352491697.db2.gz PSAQLSXQOQZOOJ-UHFFFAOYSA-N -1 3 329.323 2.472 10 30 EEEEHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001627306396 1352491706 /nfs/dbraw/zinc/49/17/06/1352491706.db2.gz PSAQLSXQOQZOOJ-UHFFFAOYSA-N -1 3 329.323 2.472 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OCC ZINC001665796893 1355389750 /nfs/dbraw/zinc/38/97/50/1355389750.db2.gz GLACBQKVMBNLRU-LLVKDONJSA-N -1 3 347.383 2.449 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)C(=O)OC ZINC000921382575 773316876 /nfs/dbraw/zinc/31/68/76/773316876.db2.gz GFKOUQVMBNVJMZ-HNNXBMFYSA-N -1 3 325.430 2.312 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000816690397 784196820 /nfs/dbraw/zinc/19/68/20/784196820.db2.gz QOKNWYGFQXKMJF-SNVBAGLBSA-N -1 3 337.788 2.183 10 30 EEEEHM C/C(=C/C(=O)N[C@@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820179611 785824791 /nfs/dbraw/zinc/82/47/91/785824791.db2.gz MVLDEXYMNFYCSG-JLVNDZCYSA-N -1 3 328.290 2.215 10 30 EEEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000820186286 785828991 /nfs/dbraw/zinc/82/89/91/785828991.db2.gz XIEHKCQIRDOXJE-KRWDZBQOSA-N -1 3 341.411 2.431 10 30 EEEEHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000820475930 785938614 /nfs/dbraw/zinc/93/86/14/785938614.db2.gz CQNLKZNAHAPHEI-WFASDCNBSA-N -1 3 332.400 2.125 10 30 EEEEHM COC(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)[n-]1 ZINC001174792904 797869806 /nfs/dbraw/zinc/86/98/06/797869806.db2.gz POIXTFFMEFCXIO-UHFFFAOYSA-N -1 3 349.350 2.170 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)n1 ZINC001565991985 1125487631 /nfs/dbraw/zinc/48/76/31/1125487631.db2.gz AEHAQQOTKVTABR-IBGZPJMESA-N -1 3 342.443 2.048 10 30 EEEEHM N#CC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(F)(F)F ZINC001471960895 1110536403 /nfs/dbraw/zinc/53/64/03/1110536403.db2.gz YWUUCDOMUIDXQP-JTQLQIEISA-N -1 3 345.227 2.381 10 30 EEEEHM C=C(C)[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccccc1[O-])OCC ZINC001505612380 1114085421 /nfs/dbraw/zinc/08/54/21/1114085421.db2.gz PYWXFKFUJWDGGM-PBHICJAKSA-N -1 3 346.427 2.094 10 30 EEEEHM CCCCCCCCC(=O)N1C[C@H](NC(=O)c2cn[n-]n2)C[C@@H]1C ZINC001511296036 1118045342 /nfs/dbraw/zinc/04/53/42/1118045342.db2.gz PEZXKGRECIKTMK-UONOGXRCSA-N -1 3 335.452 2.275 10 30 EEEEHM C#CCNC(=O)c1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001519805485 1119107486 /nfs/dbraw/zinc/10/74/86/1119107486.db2.gz DTWCLFWTNZVFMO-UHFFFAOYSA-N -1 3 345.358 2.143 10 30 EEEEHM C=C[C@](C)(CC)C(=O)N[C@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001527572881 1120822407 /nfs/dbraw/zinc/82/24/07/1120822407.db2.gz NZGYAVXAMMHFHD-KZULUSFZSA-N -1 3 343.431 2.185 10 30 EEEEHM O=C(C#CC1CC1)N[C@@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001536680534 1123770838 /nfs/dbraw/zinc/77/08/38/1123770838.db2.gz CSIJHMLOUSBRMK-KRWDZBQOSA-N -1 3 340.423 2.210 10 30 EEEEHM [O-]C(=Cc1cc(Cl)c2c(c1)OCCCO2)NC1=NCCS1 ZINC000053160655 214167624 /nfs/dbraw/zinc/16/76/24/214167624.db2.gz YTHKUOFAJJBXPR-UHFFFAOYSA-N -1 3 326.805 2.263 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000310698186 539748867 /nfs/dbraw/zinc/74/88/67/539748867.db2.gz DQYAPNMVGLOMPT-UHFFFAOYSA-N -1 3 338.198 2.069 10 30 EEEEHM C=CCOc1ccc(CN[C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1 ZINC000426746278 241335174 /nfs/dbraw/zinc/33/51/74/241335174.db2.gz JJDXROAOMMEHCU-KRWDZBQOSA-N -1 3 329.400 2.308 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-]CC1CCc2ccccc2CC1 ZINC000528450940 268324774 /nfs/dbraw/zinc/32/47/74/268324774.db2.gz NIIFLERCGSKCDN-UHFFFAOYSA-N -1 3 341.436 2.427 10 30 EEEEHM CO[C@H](C)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000353891684 294238550 /nfs/dbraw/zinc/23/85/50/294238550.db2.gz DYRBJHRZBBBKQL-GFCCVEGCSA-N -1 3 333.432 2.480 10 30 EEEEHM C#CCC(CC#C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000277431535 463915761 /nfs/dbraw/zinc/91/57/61/463915761.db2.gz MYYBINOAYMPQHZ-UHFFFAOYSA-N -1 3 348.424 2.058 10 30 EEEEHM COCC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccco1 ZINC000352950919 465574811 /nfs/dbraw/zinc/57/48/11/465574811.db2.gz CECKOWHPGKCGTK-CYBMUJFWSA-N -1 3 326.418 2.361 10 30 EEEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H](O)C(C)C ZINC000594759873 468676052 /nfs/dbraw/zinc/67/60/52/468676052.db2.gz OUJVFNJOWVLKAK-CYBMUJFWSA-N -1 3 338.454 2.377 10 30 EEEEHM N#CCN1CCC[C@@H](CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598686417 468958230 /nfs/dbraw/zinc/95/82/30/468958230.db2.gz BIGSUEDOOWEZHC-NSHDSACASA-N -1 3 341.333 2.376 10 30 EEEEHM C=CCC[C@@H](C(=O)NCc1nnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000603013610 469221878 /nfs/dbraw/zinc/22/18/78/469221878.db2.gz DCBQQTPLBMZWBS-CQSZACIVSA-N -1 3 342.399 2.348 10 30 EEEEHM CC1(C(=O)C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)CCCC1 ZINC000625550420 470163450 /nfs/dbraw/zinc/16/34/50/470163450.db2.gz XQZQWZXFBKSWLG-UHFFFAOYSA-N -1 3 338.404 2.266 10 30 EEEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645640606 470365565 /nfs/dbraw/zinc/36/55/65/470365565.db2.gz DNBGJROJVUOIMW-LLVKDONJSA-N -1 3 328.434 2.313 10 30 EEEEHM C=CCCC[C@@H](C)OC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000765413587 577500520 /nfs/dbraw/zinc/50/05/20/577500520.db2.gz JZLZJNXNSMOSER-GFCCVEGCSA-N -1 3 329.393 2.392 10 30 EEEEHM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2F)cc1C#N ZINC000746681052 577932434 /nfs/dbraw/zinc/93/24/34/577932434.db2.gz VDTNLAJOVIXTGY-UHFFFAOYSA-N -1 3 338.335 2.324 10 30 EEEEHM COC(=O)[C@H](OC(=O)c1ccc(F)cc1[O-])c1ccc(C#N)cc1 ZINC000750144224 577987836 /nfs/dbraw/zinc/98/78/36/577987836.db2.gz KINKTPDCCAFKJW-OAHLLOKOSA-N -1 3 329.283 2.474 10 30 EEEEHM CC(C)C#CC(=O)NCCCCCCNC(=O)c1ccccc1[O-] ZINC001687127432 1176141451 /nfs/dbraw/zinc/14/14/51/1176141451.db2.gz OYMOOYDNEVOWOK-UHFFFAOYSA-N -1 3 330.428 2.458 10 30 EEEEHM C=CCCOCC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001487368772 1197386448 /nfs/dbraw/zinc/38/64/48/1197386448.db2.gz OHBCXXMEFQUZPC-GJZGRUSLSA-N -1 3 346.427 2.142 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccccc2[O-])C1)OCC ZINC001299313583 1197951381 /nfs/dbraw/zinc/95/13/81/1197951381.db2.gz WIKLXYMWZMCKPB-QGZVFWFLSA-N -1 3 346.427 2.046 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccccc1C)C(=O)OCC ZINC000882644685 1201912627 /nfs/dbraw/zinc/91/26/27/1201912627.db2.gz OOYPQRZONNMWIL-HNNXBMFYSA-N -1 3 325.430 2.312 10 30 EEEEHM C=CCCc1ccccc1[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882723190 1201928528 /nfs/dbraw/zinc/92/85/28/1201928528.db2.gz QQJKSTLWADQRRY-FQEVSTJZSA-N -1 3 331.463 2.036 10 30 EEEEHM C=CCOc1c(Cl)cc(CN[C@@H]2CCO[C@@H]2C(=O)[O-])cc1OC ZINC000901919360 1236632756 /nfs/dbraw/zinc/63/27/56/1236632756.db2.gz AOQMHGTZSOPNKG-DOMZBBRYSA-N -1 3 341.791 2.245 10 30 EEEEHM C=C[C@@H](COC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001119568323 1309114479 /nfs/dbraw/zinc/11/44/79/1309114479.db2.gz DOLCTSNWCGRXKO-QMMMGPOBSA-N -1 3 335.148 2.253 10 30 EEEEHM CC(C)(C#N)C(=O)Nc1ccc(I)cc1[O-] ZINC001138175078 1314568212 /nfs/dbraw/zinc/56/82/12/1314568212.db2.gz GNBATHGUGKNWPH-UHFFFAOYSA-N -1 3 330.125 2.485 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001298993845 1330145126 /nfs/dbraw/zinc/14/51/26/1330145126.db2.gz GLMMWVVGAOUVFF-MDZDMXLPSA-N -1 3 347.378 2.477 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001298993845 1330145127 /nfs/dbraw/zinc/14/51/27/1330145127.db2.gz GLMMWVVGAOUVFF-MDZDMXLPSA-N -1 3 347.378 2.477 10 30 EEEEHM CCn1cc(-c2n[nH]cc2C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC001611667144 1352303434 /nfs/dbraw/zinc/30/34/34/1352303434.db2.gz PUNGIAKOMSUBHB-UHFFFAOYSA-N -1 3 329.335 2.464 10 30 EEEEHM Cc1ccc(C#N)cc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC001556869319 1342436863 /nfs/dbraw/zinc/43/68/63/1342436863.db2.gz ALJVJGFDODNPGZ-UHFFFAOYSA-N -1 3 336.351 2.015 10 30 EEEEHM C#CCCCC(=O)N1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001572415568 1343484463 /nfs/dbraw/zinc/48/44/63/1343484463.db2.gz URAFHEBWSNYBSW-YLJYHZDGSA-N -1 3 340.423 2.449 10 30 EEEEHM CC#CCCCC(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001576251876 1343987721 /nfs/dbraw/zinc/98/77/21/1343987721.db2.gz SIQHHYJLSARMPK-OAHLLOKOSA-N -1 3 328.412 2.259 10 30 EEEEHM COC(=O)c1cc(NC(=O)Cc2cccc(C#N)c2)c([O-])c(OC)c1 ZINC001636734182 1352668400 /nfs/dbraw/zinc/66/84/00/1352668400.db2.gz IERZITQZDFQXQS-UHFFFAOYSA-N -1 3 340.335 2.240 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C#N)cc3C)c2c1=O ZINC001641673567 1352723719 /nfs/dbraw/zinc/72/37/19/1352723719.db2.gz YHQIMRVDYSNOFU-UHFFFAOYSA-N -1 3 335.367 2.485 10 30 EEEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001655397271 1354172291 /nfs/dbraw/zinc/17/22/91/1354172291.db2.gz BWDRZCMKUSNAOB-HNNXBMFYSA-N -1 3 327.377 2.001 10 30 EEEEHM C=CC1(CC(=O)N[C@H](C)C[C@H](C)NC(=O)c2cn[n-]n2)CCCCC1 ZINC001681574711 1358035020 /nfs/dbraw/zinc/03/50/20/1358035020.db2.gz YFPGIIVHNSPAFP-KGLIPLIRSA-N -1 3 347.463 2.344 10 30 EEEEHM C#CCN1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000921439937 773375244 /nfs/dbraw/zinc/37/52/44/773375244.db2.gz NOWZORUXAJIPKP-UHFFFAOYSA-N -1 3 347.267 2.369 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000816691688 784200991 /nfs/dbraw/zinc/20/09/91/784200991.db2.gz WZABNDVFYGLFRT-OAHLLOKOSA-N -1 3 344.342 2.125 10 30 EEEEHM Cc1ccc2nc(C3CC3)cc(C(=O)N[C@@H]3CCN([O-])C3=O)c2c1 ZINC000816695041 784202322 /nfs/dbraw/zinc/20/23/22/784202322.db2.gz TVWPVESBLQEKNP-OAHLLOKOSA-N -1 3 325.368 2.141 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000909000502 785929921 /nfs/dbraw/zinc/92/99/21/785929921.db2.gz KKXJZKACZQKSJP-OIISXLGYSA-N -1 3 345.443 2.368 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095221 785993405 /nfs/dbraw/zinc/99/34/05/785993405.db2.gz UKWMRESRTGEZHD-UAGQMJEPSA-N -1 3 345.443 2.368 10 30 EEEEHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC001184347830 801997134 /nfs/dbraw/zinc/99/71/34/801997134.db2.gz GQKRVVSTXMLNHY-LLVKDONJSA-N -1 3 342.326 2.228 10 30 EEEEHM C=C1CCC(C(=O)N2CCCC[C@H]2CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001496417129 1101010726 /nfs/dbraw/zinc/01/07/26/1101010726.db2.gz YUGRTQCRLOALLC-HNNXBMFYSA-N -1 3 347.463 2.118 10 30 EEEEHM COC(=O)c1cc(NC(=O)c2ccc(F)c(C#N)c2)c([O-])c(OC)c1 ZINC001456744935 1109283980 /nfs/dbraw/zinc/28/39/80/1109283980.db2.gz JDZKRMMQWXQCKV-UHFFFAOYSA-N -1 3 344.298 2.450 10 30 EEEEHM N#Cc1c[nH]c2cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)ccc12 ZINC001467350671 1110454392 /nfs/dbraw/zinc/45/43/92/1110454392.db2.gz ZIXVZSKIWFWDIL-UHFFFAOYSA-N -1 3 334.261 2.106 10 30 EEEEHM C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC(=C)C ZINC001515001749 1118926274 /nfs/dbraw/zinc/92/62/74/1118926274.db2.gz FSDLYGLLMZRGEE-AWEZNQCLSA-N -1 3 338.415 2.317 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1ccoc1C ZINC001520597316 1119179323 /nfs/dbraw/zinc/17/93/23/1119179323.db2.gz ZIDGQBNXZIGKNW-UHFFFAOYSA-N -1 3 333.783 2.440 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1ccoc1C ZINC001520597316 1119179324 /nfs/dbraw/zinc/17/93/24/1119179324.db2.gz ZIDGQBNXZIGKNW-UHFFFAOYSA-N -1 3 333.783 2.440 10 30 EEEEHM N#CCN(CC#N)c1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-] ZINC000040617914 213360038 /nfs/dbraw/zinc/36/00/38/213360038.db2.gz FDVZQHCGOYMTNR-UHFFFAOYSA-N -1 3 327.279 2.121 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CF)CCOCC2)c1 ZINC000451813412 243276685 /nfs/dbraw/zinc/27/66/85/243276685.db2.gz IQYZYDCTIWLOGZ-UHFFFAOYSA-N -1 3 346.811 2.256 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 ZINC000339159947 465114750 /nfs/dbraw/zinc/11/47/50/465114750.db2.gz XBAOCCUDQHLDFH-OAHLLOKOSA-N -1 3 327.315 2.484 10 30 EEEEHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156501082 463032054 /nfs/dbraw/zinc/03/20/54/463032054.db2.gz ZALRKFRGKWHDCS-GFCCVEGCSA-N -1 3 341.864 2.364 10 30 EEEEHM O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1n[n-]c(-c2ccoc2)n1 ZINC000071888479 463458176 /nfs/dbraw/zinc/45/81/76/463458176.db2.gz FORWNBRXSUXBCH-UHFFFAOYSA-N -1 3 347.281 2.361 10 30 EEEEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570345 468396955 /nfs/dbraw/zinc/39/69/55/468396955.db2.gz SRGKOYQMWCSOEN-CHWSQXEVSA-N -1 3 339.436 2.239 10 30 EEEEHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1OCC ZINC000295858048 464988149 /nfs/dbraw/zinc/98/81/49/464988149.db2.gz DZHBXDHOEDARHV-INIZCTEOSA-N -1 3 344.436 2.393 10 30 EEEEHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000337960450 465710937 /nfs/dbraw/zinc/71/09/37/465710937.db2.gz RXWVBMLSVGLXFH-CYBMUJFWSA-N -1 3 347.371 2.067 10 30 EEEEHM COc1cc(C(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)on1 ZINC000346783645 466150625 /nfs/dbraw/zinc/15/06/25/466150625.db2.gz QYQKCUJHBGSVBH-UHFFFAOYSA-N -1 3 343.730 2.646 10 30 EEEEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000594478791 468601329 /nfs/dbraw/zinc/60/13/29/468601329.db2.gz KLAQWKKXXWDWFG-LBPRGKRZSA-N -1 3 328.409 2.427 10 30 EEEEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000594480541 468601810 /nfs/dbraw/zinc/60/18/10/468601810.db2.gz UKCCTYBQBXLIGS-JOCQHMNTSA-N -1 3 326.393 2.322 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1ccc(F)cc1 ZINC000600667365 468614514 /nfs/dbraw/zinc/61/45/14/468614514.db2.gz BAXRCFYISVCIMW-KGLIPLIRSA-N -1 3 328.409 2.371 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000595350657 468821456 /nfs/dbraw/zinc/82/14/56/468821456.db2.gz GQYZVNSNFPTSJN-UHFFFAOYSA-N -1 3 328.821 2.041 10 30 EEEEHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593577921 469045440 /nfs/dbraw/zinc/04/54/40/469045440.db2.gz CJPRWBUSACOHLA-VXGBXAGGSA-N -1 3 328.459 2.492 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)s1 ZINC000593631434 469069654 /nfs/dbraw/zinc/06/96/54/469069654.db2.gz HGCCRXLUFRAVFE-AWEZNQCLSA-N -1 3 326.443 2.103 10 30 EEEEHM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CO2 ZINC000599374655 469235040 /nfs/dbraw/zinc/23/50/40/469235040.db2.gz JZQWNDIYPRQITI-LLVKDONJSA-N -1 3 334.422 2.210 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000611542040 469275425 /nfs/dbraw/zinc/27/54/25/469275425.db2.gz FJNNCWWETBZCPO-UHFFFAOYSA-N -1 3 334.319 2.058 10 30 EEEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000657036238 471944697 /nfs/dbraw/zinc/94/46/97/471944697.db2.gz CDFGKHKJIKEIBU-OLZOCXBDSA-N -1 3 325.434 2.079 10 30 EEEEHM Cc1cc(C)n(C(=O)CSc2nc([N-]N=Cc3ccco3)n[nH]2)n1 ZINC000006271254 524499906 /nfs/dbraw/zinc/49/99/06/524499906.db2.gz FPADRTGQDXNUSL-VIZOYTHASA-N -1 3 345.388 2.090 10 30 EEEEHM COCCC1N=NC(=S)N1N=Cc1cc(Cl)cc(C)c1[O-] ZINC000774587790 577405379 /nfs/dbraw/zinc/40/53/79/577405379.db2.gz NSFHJENPSLGEBT-UHFFFAOYSA-N -1 3 326.809 2.305 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000765585631 577503514 /nfs/dbraw/zinc/50/35/14/577503514.db2.gz CPROCOQVGSSQAQ-CQSZACIVSA-N -1 3 339.351 2.198 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCCC(C)(C)[C@H]1C#N ZINC000769893426 577586641 /nfs/dbraw/zinc/58/66/41/577586641.db2.gz OLRVIMQIDRTNFI-UKRRQHHQSA-N -1 3 329.448 2.229 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000758617571 577628496 /nfs/dbraw/zinc/62/84/96/577628496.db2.gz HJFYCDHPMQNVRE-SNVBAGLBSA-N -1 3 344.795 2.243 10 30 EEEEHM CC#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000744751581 577902442 /nfs/dbraw/zinc/90/24/42/577902442.db2.gz VDPJGUUQNTVLNU-UHFFFAOYSA-N -1 3 336.344 2.135 10 30 EEEEHM COc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1C#N ZINC000747446974 577944413 /nfs/dbraw/zinc/94/44/13/577944413.db2.gz OWFITAHUPBFPQY-UHFFFAOYSA-N -1 3 333.347 2.338 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 ZINC000904214843 694334090 /nfs/dbraw/zinc/33/40/90/694334090.db2.gz PFPGSGFUDRWSJX-CYBMUJFWSA-N -1 3 342.436 2.420 10 30 EEEEHM CCOC(=O)[C@H](COC)/N=C/c1cc(Br)ccc1[O-] ZINC000905002498 694498773 /nfs/dbraw/zinc/49/87/73/694498773.db2.gz IQRJGMGWXNLFNM-BXRZMRDGSA-N -1 3 330.178 2.152 10 30 EEEEHM C=CC1(S(=O)(=O)[N-]C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000870837780 1200902416 /nfs/dbraw/zinc/90/24/16/1200902416.db2.gz BFCZFBKEQBIOTA-UHFFFAOYSA-N -1 3 334.441 2.061 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(=O)OCC ZINC000882645310 1201913261 /nfs/dbraw/zinc/91/32/61/1201913261.db2.gz YSZHBGGMZOPNDC-HNNXBMFYSA-N -1 3 343.420 2.451 10 30 EEEEHM C=CCCCS(=O)(=O)[N-]c1c(C(=O)OC(C)(C)C)cnn1C ZINC000903169915 1239920515 /nfs/dbraw/zinc/92/05/15/1239920515.db2.gz VFUGXWKSHCJFRU-UHFFFAOYSA-N -1 3 329.422 2.083 10 30 EEEEHM C=C(C)CN(CC)c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCCO1 ZINC001122901523 1310422085 /nfs/dbraw/zinc/42/20/85/1310422085.db2.gz DMDHSFWXTZWTFA-LBPRGKRZSA-N -1 3 333.392 2.220 10 30 EEEEHM C#CCC1(C(=O)NC[C@H](C)CNC(=O)c2ccccc2[O-])CCC1 ZINC001285207569 1326914353 /nfs/dbraw/zinc/91/43/53/1326914353.db2.gz INSGDWATFJUAEI-CQSZACIVSA-N -1 3 328.412 2.068 10 30 EEEEHM C=CCOCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001287924813 1327566370 /nfs/dbraw/zinc/56/63/70/1327566370.db2.gz XFPNNYXXTMVCPT-GJZGRUSLSA-N -1 3 346.427 2.094 10 30 EEEEHM C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC001297277901 1329956753 /nfs/dbraw/zinc/95/67/53/1329956753.db2.gz ZTCOJFSGMPKDFK-GJZGRUSLSA-N -1 3 326.396 2.011 10 30 EEEEHM C=CCn1cccc1C(=O)NC[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001297719225 1329997489 /nfs/dbraw/zinc/99/74/89/1329997489.db2.gz CARWMKZSWDZBOB-CQSZACIVSA-N -1 3 341.411 2.176 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001298899613 1330133664 /nfs/dbraw/zinc/13/36/64/1330133664.db2.gz PTSFNNNSELEUAI-DOTOQJQBSA-N -1 3 342.439 2.456 10 30 EEEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001334297509 1336235750 /nfs/dbraw/zinc/23/57/50/1336235750.db2.gz XZIQIAKUZNCTQV-SGTLLEGYSA-N -1 3 343.431 2.137 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC001339880372 1337089496 /nfs/dbraw/zinc/08/94/96/1337089496.db2.gz PMEMARROVSFYEO-SNVBAGLBSA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC001339880372 1337089498 /nfs/dbraw/zinc/08/94/98/1337089498.db2.gz PMEMARROVSFYEO-SNVBAGLBSA-N -1 3 349.826 2.050 10 30 EEEEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)C ZINC001344730501 1337412084 /nfs/dbraw/zinc/41/20/84/1337412084.db2.gz XHPITKFWGHZGTC-JKSUJKDBSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)OC ZINC001561929503 1342532731 /nfs/dbraw/zinc/53/27/31/1342532731.db2.gz XHAPSJGSNYGHQW-GFCCVEGCSA-N -1 3 333.356 2.141 10 30 EEEEHM CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001573133412 1343607005 /nfs/dbraw/zinc/60/70/05/1343607005.db2.gz AIMBLVZVKDTVIG-GASCZTMLSA-N -1 3 328.412 2.210 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001678178836 1357479428 /nfs/dbraw/zinc/47/94/28/1357479428.db2.gz WVIBFIPYVUCWDO-LBPRGKRZSA-N -1 3 343.431 2.137 10 30 EEEEHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc(C)c1C#N ZINC001595752921 1349893777 /nfs/dbraw/zinc/89/37/77/1349893777.db2.gz UPYKUPYZPJZZLM-UHFFFAOYSA-N -1 3 337.379 2.041 10 30 EEEEHM CCSc1nc(C)c([C@H](CC)C(=O)N[C@@H]2CCN([O-])C2=O)s1 ZINC001628370209 1352532206 /nfs/dbraw/zinc/53/22/06/1352532206.db2.gz LELWHKBDFGDBKY-VHSXEESVSA-N -1 3 343.474 2.163 10 30 EEEEHM CN1CC(=O)Nc2cc(C(=O)N([O-])Cc3ccccc3Cl)cnc21 ZINC001654814318 1354158608 /nfs/dbraw/zinc/15/86/08/1354158608.db2.gz QQYPMYBYKWIUMB-UHFFFAOYSA-N -1 3 346.774 2.155 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(=O)OC ZINC001671557249 1356362020 /nfs/dbraw/zinc/36/20/20/1356362020.db2.gz MIZVASJFLLYCNW-HNNXBMFYSA-N -1 3 343.420 2.451 10 30 EEEEHM C=C[C@H](CC)CC(=O)NCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001688272100 1358882793 /nfs/dbraw/zinc/88/27/93/1358882793.db2.gz WWGFAYFDNDHANK-CHWSQXEVSA-N -1 3 343.431 2.185 10 30 EEEEHM O=C(CCCc1cccc(C(F)(F)F)c1)N[C@@H]1CCN([O-])C1=O ZINC000820178800 785823630 /nfs/dbraw/zinc/82/36/30/785823630.db2.gz BGANRTDLLUECRG-GFCCVEGCSA-N -1 3 330.306 2.134 10 30 EEEEHM Cc1ccc(-c2nn(-c3ccccc3)cc2C=NN2CC(=O)[N-]C2=O)o1 ZINC000915955666 797456088 /nfs/dbraw/zinc/45/60/88/797456088.db2.gz HGPFFLRCEKBRQF-UHFFFAOYSA-N -1 3 349.350 2.326 10 30 EEEEHM COCCOc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000915981616 797466003 /nfs/dbraw/zinc/46/60/03/797466003.db2.gz VGBIHIHJMULZNY-YBFXNURJSA-N -1 3 330.384 2.232 10 30 EEEEHM Cc1ncc(CO)c(/C=N/Cc2ccn(Cc3ccccc3)n2)c1[O-] ZINC000790574300 808810663 /nfs/dbraw/zinc/81/06/63/808810663.db2.gz KSCRRFXHOKVMNX-RGVLZGJSSA-N -1 3 336.395 2.452 10 30 EEEEHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@]2(C)CCC(C)=C(C)C2)n1 ZINC001565991986 1125487969 /nfs/dbraw/zinc/48/79/69/1125487969.db2.gz AEHAQQOTKVTABR-LJQANCHMSA-N -1 3 342.443 2.048 10 30 EEEEHM O=C(NCC#C[C@H]1CCCCO1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001457026204 1109418898 /nfs/dbraw/zinc/41/88/98/1109418898.db2.gz BRFOXFOCCMVIDB-GFCCVEGCSA-N -1 3 346.333 2.109 10 30 EEEEHM C=CCCC1(C(=O)N2CC[C@H]2CNC(=O)c2ccccc2[O-])CC1 ZINC001505612072 1114084656 /nfs/dbraw/zinc/08/46/56/1114084656.db2.gz JMZVUSQPMVQBPQ-AWEZNQCLSA-N -1 3 328.412 2.469 10 30 EEEEHM C=CCCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001509771304 1115901554 /nfs/dbraw/zinc/90/15/54/1115901554.db2.gz MDKJXOBFIORNJF-KGLIPLIRSA-N -1 3 346.431 2.004 10 30 EEEEHM C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001510675818 1117854705 /nfs/dbraw/zinc/85/47/05/1117854705.db2.gz VHJGRHNZXWUNPM-KUHUBIRLSA-N -1 3 348.443 2.198 10 30 EEEEHM COc1nccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)n1 ZINC001519596439 1119091225 /nfs/dbraw/zinc/09/12/25/1119091225.db2.gz CTWORGIIWHEQFF-UHFFFAOYSA-N -1 3 333.691 2.171 10 30 EEEEHM C#CCC1(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001523075017 1119624107 /nfs/dbraw/zinc/62/41/07/1119624107.db2.gz PMPMUMJCEGISED-OAHLLOKOSA-N -1 3 340.423 2.259 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NC[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001532247295 1122697377 /nfs/dbraw/zinc/69/73/77/1122697377.db2.gz NTWACQRDSNLHJW-STQMWFEESA-N -1 3 343.431 2.042 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000336845437 160560808 /nfs/dbraw/zinc/56/08/08/160560808.db2.gz AYVVQRPUTUCFIC-VXGBXAGGSA-N -1 3 328.821 2.041 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C)cs1 ZINC000489204122 267196412 /nfs/dbraw/zinc/19/64/12/267196412.db2.gz JUPPHXQSIYDJHN-CYBMUJFWSA-N -1 3 336.442 2.456 10 30 EEEEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 ZINC000339159940 465115101 /nfs/dbraw/zinc/11/51/01/465115101.db2.gz XBAOCCUDQHLDFH-HNNXBMFYSA-N -1 3 327.315 2.484 10 30 EEEEHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000341532133 465217860 /nfs/dbraw/zinc/21/78/60/465217860.db2.gz ZZZZDRBHLJFFMU-UHFFFAOYSA-N -1 3 327.818 2.455 10 30 EEEEHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000297242724 465250444 /nfs/dbraw/zinc/25/04/44/465250444.db2.gz XHYJOJYBGVQEOS-MRXNPFEDSA-N -1 3 340.420 2.058 10 30 EEEEHM C#Cc1cccc(NC(=O)CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000089261921 462658498 /nfs/dbraw/zinc/65/84/98/462658498.db2.gz VPZUQAUCPGHVBH-UHFFFAOYSA-N -1 3 342.782 2.324 10 30 EEEEHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000147096201 463392174 /nfs/dbraw/zinc/39/21/74/463392174.db2.gz MPFANCIFLZOVLJ-VIFPVBQESA-N -1 3 336.335 2.280 10 30 EEEEHM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000071915431 463471810 /nfs/dbraw/zinc/47/18/10/463471810.db2.gz FYEOLGUVCCCWBF-HOTGVXAUSA-N -1 3 345.443 2.116 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C[C@H]2CCCO2)no1 ZINC000264618733 464397393 /nfs/dbraw/zinc/39/73/93/464397393.db2.gz QELAWFCPMVQZOA-GFCCVEGCSA-N -1 3 328.372 2.165 10 30 EEEEHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000286756573 465022070 /nfs/dbraw/zinc/02/20/70/465022070.db2.gz VGCMQLMUFROUCP-JTQLQIEISA-N -1 3 336.369 2.208 10 30 EEEEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000528488370 467685861 /nfs/dbraw/zinc/68/58/61/467685861.db2.gz HWCYOOKXDTXDEZ-YGRLFVJLSA-N -1 3 326.805 2.057 10 30 EEEEHM COc1cccc(-c2nc(C(=O)[N-]c3cc(CC#N)ccn3)no2)c1 ZINC000532433795 468118336 /nfs/dbraw/zinc/11/83/36/468118336.db2.gz XHPYRKNIIICDDV-UHFFFAOYSA-N -1 3 335.323 2.459 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@H](C#N)CC(C)C)c1ccc(F)cc1 ZINC000600668362 468615849 /nfs/dbraw/zinc/61/58/49/468615849.db2.gz PCWSKTKQMGHHGW-LSDHHAIUSA-N -1 3 328.409 2.371 10 30 EEEEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594790142 468686315 /nfs/dbraw/zinc/68/63/15/468686315.db2.gz SHDADDKEIFKMTA-LBPRGKRZSA-N -1 3 341.864 2.363 10 30 EEEEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C12CCC2 ZINC000594863896 468711434 /nfs/dbraw/zinc/71/14/34/468711434.db2.gz JQOCWRYEBOIQQB-GJZGRUSLSA-N -1 3 349.456 2.358 10 30 EEEEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000595392991 468836713 /nfs/dbraw/zinc/83/67/13/468836713.db2.gz RXKQOMIVHJIDLL-LLVKDONJSA-N -1 3 328.821 2.305 10 30 EEEEHM N#Cc1cncc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c1 ZINC000598627488 468938000 /nfs/dbraw/zinc/93/80/00/468938000.db2.gz GOBLCLFCVLTWNY-ZDUSSCGKSA-N -1 3 329.372 2.446 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]CCN1CCCc2ccccc21 ZINC000593533162 469021247 /nfs/dbraw/zinc/02/12/47/469021247.db2.gz YLUHCDPSUJCWGT-UHFFFAOYSA-N -1 3 347.465 2.351 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCc2cc(O)ccc2C1 ZINC000593589145 469049448 /nfs/dbraw/zinc/04/94/48/469049448.db2.gz SDMFYXAOMLXHCW-LBPRGKRZSA-N -1 3 334.422 2.161 10 30 EEEEHM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593602785 469054776 /nfs/dbraw/zinc/05/47/76/469054776.db2.gz GUJGADYWKLOLFY-MNOVXSKESA-N -1 3 342.442 2.020 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)nn1 ZINC000632636075 470253794 /nfs/dbraw/zinc/25/37/94/470253794.db2.gz ZXGQGTCXROQENJ-UHFFFAOYSA-N -1 3 340.836 2.295 10 30 EEEEHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)CC1(CC#N)CC1 ZINC000451388016 535651061 /nfs/dbraw/zinc/65/10/61/535651061.db2.gz AFOMANJCUBDFFS-ZDUSSCGKSA-N -1 3 344.477 2.358 10 30 EEEEHM C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728724763 576521093 /nfs/dbraw/zinc/52/10/93/576521093.db2.gz LDIRIEMNNZEFGK-SECBINFHSA-N -1 3 337.332 2.023 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000775430528 577437168 /nfs/dbraw/zinc/43/71/68/577437168.db2.gz GTEVVPWHLVTFGG-CQSZACIVSA-N -1 3 349.438 2.365 10 30 EEEEHM COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1C#N ZINC000747614026 577946928 /nfs/dbraw/zinc/94/69/28/577946928.db2.gz JGBUDRPHVZPPIJ-UHFFFAOYSA-N -1 3 339.351 2.161 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC000904213681 694334011 /nfs/dbraw/zinc/33/40/11/694334011.db2.gz WYRPWGMEWOGILD-ZFWWWQNUSA-N -1 3 336.436 2.126 10 30 EEEEHM Cn1ncc(Br)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001649075850 1193508651 /nfs/dbraw/zinc/50/86/51/1193508651.db2.gz HXIWIHLYUKFGFA-UHFFFAOYSA-N -1 3 342.168 2.282 10 30 EEEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)cn3)nc21 ZINC001134753343 1199804380 /nfs/dbraw/zinc/80/43/80/1199804380.db2.gz JZZGRRQZKLPZRS-UHFFFAOYSA-N -1 3 335.323 2.259 10 30 EEEEHM C#CCN(Cc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCc2ccccc21 ZINC000877990586 1200202253 /nfs/dbraw/zinc/20/22/53/1200202253.db2.gz HUNHUQJWSUKFFO-SFHVURJKSA-N -1 3 335.407 2.378 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)C(=O)OC ZINC000867624856 1201646632 /nfs/dbraw/zinc/64/66/32/1201646632.db2.gz SPAPOKLEZLWBIY-VFNNOXKTSA-N -1 3 327.377 2.224 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001489408460 1290555973 /nfs/dbraw/zinc/55/59/73/1290555973.db2.gz DLEYUKUIKNETBN-IAGOWNOFSA-N -1 3 340.423 2.209 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000863301886 1296208817 /nfs/dbraw/zinc/20/88/17/1296208817.db2.gz UJOWHYPGFKPLSM-AWEZNQCLSA-N -1 3 342.298 2.311 10 30 EEEEHM N#C[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCOC1 ZINC001261847134 1322185299 /nfs/dbraw/zinc/18/52/99/1322185299.db2.gz KLTGHOYBLDFBKW-ZDUSSCGKSA-N -1 3 325.162 2.414 10 30 EEEEHM C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001285597615 1327070395 /nfs/dbraw/zinc/07/03/95/1327070395.db2.gz FJQQPFNTEWPJRE-AUUYWEPGSA-N -1 3 348.443 2.198 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NCCC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001287298003 1327467878 /nfs/dbraw/zinc/46/78/78/1327467878.db2.gz RWFFYILGHVHKRT-OLZOCXBDSA-N -1 3 348.447 2.108 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001287870122 1327553401 /nfs/dbraw/zinc/55/34/01/1327553401.db2.gz XWWIVMMGZKJZBZ-GOEBONIOSA-N -1 3 328.412 2.305 10 30 EEEEHM C[C@@H](NCC#N)c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC001326468397 1334099459 /nfs/dbraw/zinc/09/94/59/1334099459.db2.gz LRTCKNYZCDITAK-GFCCVEGCSA-N -1 3 334.383 2.062 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(CCOC)CC(C)C ZINC001339212468 1336976430 /nfs/dbraw/zinc/97/64/30/1336976430.db2.gz WIZZDHKOYOCBEY-UHFFFAOYSA-N -1 3 339.831 2.011 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(CCOC)CC(C)C ZINC001339212468 1336976434 /nfs/dbraw/zinc/97/64/34/1336976434.db2.gz WIZZDHKOYOCBEY-UHFFFAOYSA-N -1 3 339.831 2.011 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339739122 1337064672 /nfs/dbraw/zinc/06/46/72/1337064672.db2.gz QCWUSTQWXPZDBS-CVEARBPZSA-N -1 3 342.439 2.410 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNC(=O)[C@H](C)CC)cc(=O)[n-]1 ZINC001344651440 1337406979 /nfs/dbraw/zinc/40/69/79/1337406979.db2.gz RGKZNKAAQDRLLU-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC2(CCCCO2)CC1 ZINC001351788820 1337849521 /nfs/dbraw/zinc/84/95/21/1337849521.db2.gz BYMYOTRXEJUFCA-UHFFFAOYSA-N -1 3 345.403 2.364 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)CCc1cccs1)C(=O)OC ZINC000921383829 773319444 /nfs/dbraw/zinc/31/94/44/773319444.db2.gz CWEZVBIRJZCSRI-CYBMUJFWSA-N -1 3 331.459 2.108 10 30 EEEEHM O=C(CSc1cc(Cl)ccc1Cl)N[C@H]1CCN([O-])C1=O ZINC000820174985 785821799 /nfs/dbraw/zinc/82/17/99/785821799.db2.gz PYFUFVWCJMQUAY-VIFPVBQESA-N -1 3 335.212 2.192 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000820179656 785824383 /nfs/dbraw/zinc/82/43/83/785824383.db2.gz NEHGNGWVBIUECO-LBPRGKRZSA-N -1 3 345.424 2.138 10 30 EEEEHM Cc1cccc(C#N)c1S(=O)(=O)[N-][C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921852668 797500086 /nfs/dbraw/zinc/50/00/86/797500086.db2.gz AGPWBMQFQQSAJY-DGCLKSJQSA-N -1 3 348.346 2.112 10 30 EEEEHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cn2ccccc2n1 ZINC000788426015 807511687 /nfs/dbraw/zinc/51/16/87/807511687.db2.gz MWPWYIOZYXPOHA-UHFFFAOYSA-N -1 3 328.397 2.178 10 30 EEEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCO[C@@H]2C(=C)C)c1 ZINC001528382773 1121002529 /nfs/dbraw/zinc/00/25/29/1121002529.db2.gz FLHWFYGARRDKAA-YVEFUNNKSA-N -1 3 330.384 2.228 10 30 EEEEHM CC(F)(F)CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000451610745 243176950 /nfs/dbraw/zinc/17/69/50/243176950.db2.gz UPOCVIRKSIQGAN-UHFFFAOYSA-N -1 3 333.316 2.180 10 30 EEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccnc(C#N)c3)cc2)n1 ZINC000192906840 160176388 /nfs/dbraw/zinc/17/63/88/160176388.db2.gz ASBZXQNLNFCUPY-UHFFFAOYSA-N -1 3 331.335 2.264 10 30 EEEEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)on1 ZINC000352645524 162226353 /nfs/dbraw/zinc/22/63/53/162226353.db2.gz MXXVLRSKDQCQEK-UHFFFAOYSA-N -1 3 325.777 2.029 10 30 EEEEHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1nnc2n1CCCC2 ZINC000328653331 465089678 /nfs/dbraw/zinc/08/96/78/465089678.db2.gz LBFNXEBWBOVMGP-MRVPVSSYSA-N -1 3 329.339 2.091 10 30 EEEEHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1nnc2n1CCCC2 ZINC000328653331 465089681 /nfs/dbraw/zinc/08/96/81/465089681.db2.gz LBFNXEBWBOVMGP-MRVPVSSYSA-N -1 3 329.339 2.091 10 30 EEEEHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nnc2n1CCCC2 ZINC000328653331 465089688 /nfs/dbraw/zinc/08/96/88/465089688.db2.gz LBFNXEBWBOVMGP-MRVPVSSYSA-N -1 3 329.339 2.091 10 30 EEEEHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(F)c1 ZINC000590760272 468331000 /nfs/dbraw/zinc/33/10/00/468331000.db2.gz JJEAISSQFUNZMF-AAEUAGOBSA-N -1 3 339.392 2.145 10 30 EEEEHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000093924317 463053604 /nfs/dbraw/zinc/05/36/04/463053604.db2.gz KWJGEAKFIRKEMZ-LBPRGKRZSA-N -1 3 344.502 2.306 10 30 EEEEHM CCc1[nH]nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000109893555 463652698 /nfs/dbraw/zinc/65/26/98/463652698.db2.gz ZCRJMSXJSCETKC-UHFFFAOYSA-N -1 3 327.388 2.029 10 30 EEEEHM CCCn1nccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000073942671 463672700 /nfs/dbraw/zinc/67/27/00/463672700.db2.gz QZBWMXYETDPNLC-UHFFFAOYSA-N -1 3 327.388 2.041 10 30 EEEEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F ZINC000171620471 463894451 /nfs/dbraw/zinc/89/44/51/463894451.db2.gz HGNDXHOFBFHEPF-UHFFFAOYSA-N -1 3 349.343 2.393 10 30 EEEEHM CCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1[O-] ZINC000291466987 464155253 /nfs/dbraw/zinc/15/52/53/464155253.db2.gz LIBFKSIKFJWUCA-UHFFFAOYSA-N -1 3 336.395 2.184 10 30 EEEEHM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000294946088 464657875 /nfs/dbraw/zinc/65/78/75/464657875.db2.gz PVPREXZCWULSKQ-ZDUSSCGKSA-N -1 3 326.318 2.254 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594484856 468604271 /nfs/dbraw/zinc/60/42/71/468604271.db2.gz NDDDLJYEAFAQHG-BXUZGUMPSA-N -1 3 326.443 2.246 10 30 EEEEHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000339006163 466563440 /nfs/dbraw/zinc/56/34/40/466563440.db2.gz VXELMSNMBSWOGD-UHFFFAOYSA-N -1 3 337.376 2.176 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000376383806 466908850 /nfs/dbraw/zinc/90/88/50/466908850.db2.gz KWBXYHODOVXLOC-MRXNPFEDSA-N -1 3 348.468 2.050 10 30 EEEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](C)C#N ZINC000528335663 467679930 /nfs/dbraw/zinc/67/99/30/467679930.db2.gz HWTRHRMQASLBGB-QMMMGPOBSA-N -1 3 338.307 2.032 10 30 EEEEHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1cscn1)C(C)C ZINC000575284176 468139652 /nfs/dbraw/zinc/13/96/52/468139652.db2.gz DXPIIGVFHBBLCX-ZDUSSCGKSA-N -1 3 329.491 2.120 10 30 EEEEHM COCC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(C)o1 ZINC000489708816 468161951 /nfs/dbraw/zinc/16/19/51/468161951.db2.gz ZPFKVSKFEHBYRX-HNNXBMFYSA-N -1 3 349.412 2.219 10 30 EEEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000594789564 468685776 /nfs/dbraw/zinc/68/57/76/468685776.db2.gz NIKVKRWSSGNLMR-QWHCGFSZSA-N -1 3 338.429 2.281 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OC ZINC000601501807 468897073 /nfs/dbraw/zinc/89/70/73/468897073.db2.gz HAYURGWICJBHFS-GFCCVEGCSA-N -1 3 333.356 2.059 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCc2cccnc21 ZINC000601527895 468909068 /nfs/dbraw/zinc/90/90/68/468909068.db2.gz WTVZQBBXIYXAOY-GFCCVEGCSA-N -1 3 331.372 2.101 10 30 EEEEHM C=C1CC(C)(C(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)C1 ZINC000601540499 468912060 /nfs/dbraw/zinc/91/20/60/468912060.db2.gz SMCVBFXJSYBOSL-UHFFFAOYSA-N -1 3 332.404 2.044 10 30 EEEEHM C=C1CC(C)(C(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)C1 ZINC000601540499 468912061 /nfs/dbraw/zinc/91/20/61/468912061.db2.gz SMCVBFXJSYBOSL-UHFFFAOYSA-N -1 3 332.404 2.044 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000599483269 469272497 /nfs/dbraw/zinc/27/24/97/469272497.db2.gz UPXPIPZZTFCAOY-YPMHNXCESA-N -1 3 326.805 2.057 10 30 EEEEHM Cc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cn1 ZINC000616177074 469390966 /nfs/dbraw/zinc/39/09/66/469390966.db2.gz FCNMQOXIVUAKBN-VIFPVBQESA-N -1 3 339.277 2.089 10 30 EEEEHM C=C(C)[C@@H]([N-]S(=O)(=O)C(COC)COC)c1ccc(F)c(F)c1 ZINC000641433079 470358457 /nfs/dbraw/zinc/35/84/57/470358457.db2.gz RIJRIBYNBONSQZ-OAHLLOKOSA-N -1 3 349.399 2.163 10 30 EEEEHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000438469334 534322263 /nfs/dbraw/zinc/32/22/63/534322263.db2.gz VTJZEYCYKWPCHH-SGTLLEGYSA-N -1 3 342.395 2.248 10 30 EEEEHM CC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc(-c2ccccc2Cl)s1 ZINC000765594364 577503693 /nfs/dbraw/zinc/50/36/93/577503693.db2.gz PZDNLHVWKBPUCM-UHFFFAOYSA-N -1 3 346.799 2.395 10 30 EEEEHM Cc1ncc(CO)c(/C=N\CC[C@@H]2COc3ccccc3O2)c1[O-] ZINC000764413326 577735523 /nfs/dbraw/zinc/73/55/23/577735523.db2.gz IAHFNINGLNPQHK-NGMPYOPUSA-N -1 3 328.368 2.237 10 30 EEEEHM NC(=O)[C@@H]1CC[C@H](CCC(=O)N([O-])CCCCc2ccccc2)O1 ZINC000904196083 694325740 /nfs/dbraw/zinc/32/57/40/694325740.db2.gz OSGBWZFKBXXOTN-CVEARBPZSA-N -1 3 334.416 2.040 10 30 EEEEHM C=CCC1(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCCC1 ZINC000898815060 693472498 /nfs/dbraw/zinc/47/24/98/693472498.db2.gz YDOSIHQTGKLKIU-AWEZNQCLSA-N -1 3 345.447 2.339 10 30 EEEEHM C=CCCC(=O)N[C@@]1(C)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001484033657 1191167168 /nfs/dbraw/zinc/16/71/68/1191167168.db2.gz DKTIBEMQNITMIZ-SFHVURJKSA-N -1 3 330.432 2.106 10 30 EEEEHM C#CCC1(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001486656413 1194138987 /nfs/dbraw/zinc/13/89/87/1194138987.db2.gz RSCIZAARYOYDLJ-UONOGXRCSA-N -1 3 328.412 2.209 10 30 EEEEHM C=CCCCC(=O)NC1CCC(N(C)C(=O)c2cnc[n-]c2=O)CC1 ZINC001486740060 1194212245 /nfs/dbraw/zinc/21/22/45/1194212245.db2.gz IOWANQJOZYKMPQ-UHFFFAOYSA-N -1 3 346.431 2.038 10 30 EEEEHM C=C(Cl)C[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)OCC ZINC000870034231 1200422519 /nfs/dbraw/zinc/42/25/19/1200422519.db2.gz ZUHOKTJOLJCVFW-ZDUSSCGKSA-N -1 3 339.775 2.399 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867484957 1201621087 /nfs/dbraw/zinc/62/10/87/1201621087.db2.gz KAECBIPWTPXQAM-UHFFFAOYSA-N -1 3 336.255 2.207 10 30 EEEEHM C=CC[C@@H]1CCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000934465470 1207967982 /nfs/dbraw/zinc/96/79/82/1207967982.db2.gz CZKONVBRQQOANI-SNVBAGLBSA-N -1 3 333.413 2.230 10 30 EEEEHM COc1cc(C=CC(=O)c2c(C)nc(C)[n-]c2=O)cc(OC)c1O ZINC000096991429 1213930997 /nfs/dbraw/zinc/93/09/97/1213930997.db2.gz AXKPXRACUZFYNX-WAYWQWQTSA-N -1 3 330.340 2.006 10 30 EEEEHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C(=C)C)n1 ZINC001264583037 1322738267 /nfs/dbraw/zinc/73/82/67/1322738267.db2.gz UUCATJHFRNZOTP-UHFFFAOYSA-N -1 3 338.839 2.243 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001280190888 1324108981 /nfs/dbraw/zinc/10/89/81/1324108981.db2.gz UFESKQDQGZWWMD-UONOGXRCSA-N -1 3 336.391 2.310 10 30 EEEEHM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001280190884 1324109244 /nfs/dbraw/zinc/10/92/44/1324109244.db2.gz UFESKQDQGZWWMD-KBPBESRZSA-N -1 3 336.391 2.310 10 30 EEEEHM C[C@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001281136875 1324783444 /nfs/dbraw/zinc/78/34/44/1324783444.db2.gz SRHKUXSDGXLFRC-ZFWWWQNUSA-N -1 3 328.412 2.161 10 30 EEEEHM CC(C)C#CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001285787856 1327152970 /nfs/dbraw/zinc/15/29/70/1327152970.db2.gz IYCCUKOACMWCTP-WBVHZDCISA-N -1 3 342.439 2.456 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001286073739 1327277278 /nfs/dbraw/zinc/27/72/78/1327277278.db2.gz NZYAALNKIIMKPV-IBGZPJMESA-N -1 3 328.412 2.307 10 30 EEEEHM C=CCCC(=O)NC[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC001288211841 1327668044 /nfs/dbraw/zinc/66/80/44/1327668044.db2.gz CQIAEIAXURRTEP-CQSZACIVSA-N -1 3 343.431 2.185 10 30 EEEEHM CCCCCCN([O-])C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001611655924 1352303332 /nfs/dbraw/zinc/30/33/32/1352303332.db2.gz YAEFIWNWJWUIJZ-UHFFFAOYSA-N -1 3 344.433 2.476 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001628370337 1352532095 /nfs/dbraw/zinc/53/20/95/1352532095.db2.gz OZLUMLQPNHSDHQ-ZDUSSCGKSA-N -1 3 347.758 2.247 10 30 EEEEHM O=C(c1ccc2c(c1)C(=O)NCCO2)N([O-])Cc1ccccc1Cl ZINC001651225862 1354045538 /nfs/dbraw/zinc/04/55/38/1354045538.db2.gz BBRQFHPGYAZXSL-UHFFFAOYSA-N -1 3 346.770 2.494 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC=CCCC2)n1 ZINC001656640076 1354255311 /nfs/dbraw/zinc/25/53/11/1354255311.db2.gz ZCXYCRIFXVGKNQ-OAHLLOKOSA-N -1 3 342.443 2.048 10 30 EEEEHM CC[C@H](CNC(=O)c1ncccc1[O-])NCC#Cc1ccc(F)cc1 ZINC001665781903 1355387409 /nfs/dbraw/zinc/38/74/09/1355387409.db2.gz DFIJVQCZTQSRJG-MRXNPFEDSA-N -1 3 341.386 2.076 10 30 EEEEHM C=C(C)CS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001666763214 1355587001 /nfs/dbraw/zinc/58/70/01/1355587001.db2.gz YENQBHJYXJLXEB-SUMWQHHRSA-N -1 3 337.441 2.448 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)C(=O)OC ZINC000918791874 769396744 /nfs/dbraw/zinc/39/67/44/769396744.db2.gz BJUBEBZISGPJFZ-QLFBSQMISA-N -1 3 341.404 2.109 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)C(=O)OC ZINC000921382576 773317070 /nfs/dbraw/zinc/31/70/70/773317070.db2.gz GFKOUQVMBNVJMZ-OAHLLOKOSA-N -1 3 325.430 2.312 10 30 EEEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001211719492 779694086 /nfs/dbraw/zinc/69/40/86/779694086.db2.gz LKMYRKIYGGRGEJ-GFCCVEGCSA-N -1 3 327.377 2.083 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000816691119 784199806 /nfs/dbraw/zinc/19/98/06/784199806.db2.gz LKNOKPRFUQDPIZ-ZCFIWIBFSA-N -1 3 343.817 2.245 10 30 EEEEHM N#C[C@@]1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC2CCC1CC2 ZINC000907495144 784676526 /nfs/dbraw/zinc/67/65/26/784676526.db2.gz CBQFOKDYYVXGBS-RPTIHFLNSA-N -1 3 327.310 2.160 10 30 EEEEHM C=C(C)CN1CCC(NC(=O)N2CCc3occc3[C@@H]2C(=O)[O-])CC1 ZINC000908945419 785868067 /nfs/dbraw/zinc/86/80/67/785868067.db2.gz CENVEMHAHYJJEB-MRXNPFEDSA-N -1 3 347.415 2.014 10 30 EEEEHM C[C@@H]1Cc2cc(C[N-]S(=O)(=O)c3ccsc3C#N)ccc2O1 ZINC000921589832 789817074 /nfs/dbraw/zinc/81/70/74/789817074.db2.gz HJJFIWBVFMVVFN-SNVBAGLBSA-N -1 3 334.422 2.422 10 30 EEEEHM C[C@@H](C#N)C(=O)NCCC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495785322 1101595525 /nfs/dbraw/zinc/59/55/25/1101595525.db2.gz XKMIKMLZMYMPQS-KBPBESRZSA-N -1 3 329.400 2.053 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)o1 ZINC001456802201 1109311985 /nfs/dbraw/zinc/31/19/85/1109311985.db2.gz XPGHTSHXJVYBBS-UHFFFAOYSA-N -1 3 336.307 2.484 10 30 EEEEHM N#Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)o1 ZINC001456802201 1109311991 /nfs/dbraw/zinc/31/19/91/1109311991.db2.gz XPGHTSHXJVYBBS-UHFFFAOYSA-N -1 3 336.307 2.484 10 30 EEEEHM CC(C)(C)OC[C@@H]1CCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001460746021 1110322406 /nfs/dbraw/zinc/32/24/06/1110322406.db2.gz DZTJKZSPYADKEI-AWEZNQCLSA-N -1 3 329.404 2.086 10 30 EEEEHM CC(C)C#CC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001509546636 1115851359 /nfs/dbraw/zinc/85/13/59/1115851359.db2.gz IEKZFLHNEQVGHQ-MRXNPFEDSA-N -1 3 328.412 2.018 10 30 EEEEHM CC(C)(C)C#CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001533075871 1123064075 /nfs/dbraw/zinc/06/40/75/1123064075.db2.gz RTDYDMSHGWOLQY-HOCLYGCPSA-N -1 3 342.439 2.456 10 30 EEEEHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000451534635 243148596 /nfs/dbraw/zinc/14/85/96/243148596.db2.gz ONHWOXSGARWNQQ-UHFFFAOYSA-N -1 3 336.310 2.459 10 30 EEEEHM CCCc1ncc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)o1 ZINC000451954378 243322393 /nfs/dbraw/zinc/32/23/93/243322393.db2.gz AQLWMBYNRYREFO-UHFFFAOYSA-N -1 3 337.376 2.257 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000430019904 268168005 /nfs/dbraw/zinc/16/80/05/268168005.db2.gz OBDNHPGLCPLTDA-OCCSQVGLSA-N -1 3 343.364 2.301 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)s1 ZINC000563846793 319047715 /nfs/dbraw/zinc/04/77/15/319047715.db2.gz XMMFAWZCITZQLH-SNVBAGLBSA-N -1 3 328.484 2.431 10 30 EEEEHM C=CCCCN(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000076650263 462891008 /nfs/dbraw/zinc/89/10/08/462891008.db2.gz SUBPAIXRYQEDJN-UHFFFAOYSA-N -1 3 340.427 2.498 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)c(F)c1 ZINC000171620460 463894566 /nfs/dbraw/zinc/89/45/66/463894566.db2.gz IEVUAZSSBXWHGC-UHFFFAOYSA-N -1 3 326.299 2.454 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@H]1O ZINC000178713210 463949240 /nfs/dbraw/zinc/94/92/40/463949240.db2.gz RMGYBAMTGXMTKK-GOEBONIOSA-N -1 3 348.811 2.148 10 30 EEEEHM C=CCN(CCC#N)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000293301544 464398148 /nfs/dbraw/zinc/39/81/48/464398148.db2.gz WNPQKBCXJKJPQN-UHFFFAOYSA-N -1 3 349.412 2.100 10 30 EEEEHM C#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275105938 464763548 /nfs/dbraw/zinc/76/35/48/464763548.db2.gz VFSQFMXUEMRAAL-LBPRGKRZSA-N -1 3 343.832 2.057 10 30 EEEEHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430599351 467448766 /nfs/dbraw/zinc/44/87/66/467448766.db2.gz AKIUKGSIGJKUMC-SNVBAGLBSA-N -1 3 330.413 2.368 10 30 EEEEHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1cscn1)C(C)C ZINC000575284175 468139965 /nfs/dbraw/zinc/13/99/65/468139965.db2.gz DXPIIGVFHBBLCX-CYBMUJFWSA-N -1 3 329.491 2.120 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)CCCC1 ZINC000594473102 468598364 /nfs/dbraw/zinc/59/83/64/468598364.db2.gz KTEFHSWVUZKBGG-CABCVRRESA-N -1 3 326.462 2.337 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594475622 468599331 /nfs/dbraw/zinc/59/93/31/468599331.db2.gz WQZQQXSQGKBEGP-OCCSQVGLSA-N -1 3 326.443 2.246 10 30 EEEEHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)[C@H]1OCCc2sccc21 ZINC000583298808 468674385 /nfs/dbraw/zinc/67/43/85/468674385.db2.gz IXJSRHYIYGRQEF-SMDDNHRTSA-N -1 3 340.470 2.364 10 30 EEEEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594789964 468685727 /nfs/dbraw/zinc/68/57/27/468685727.db2.gz OJHWAILNBDQJJI-LBPRGKRZSA-N -1 3 341.864 2.363 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)n1ccnc1 ZINC000601528065 468908983 /nfs/dbraw/zinc/90/89/83/468908983.db2.gz ZJWIKXHELNAWKC-UHFFFAOYSA-N -1 3 338.820 2.122 10 30 EEEEHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000593575943 469043731 /nfs/dbraw/zinc/04/37/31/469043731.db2.gz KQWMEGYYFZXFOX-QMMMGPOBSA-N -1 3 327.456 2.467 10 30 EEEEHM C[C@]1(C[C@H]2CCCN2c2cc(C#N)nc3ccccc32)NC(=O)[N-]C1=O ZINC000588073511 469111292 /nfs/dbraw/zinc/11/12/92/469111292.db2.gz AHCRLESUUJZCRV-BFUOFWGJSA-N -1 3 349.394 2.063 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000599482539 469272649 /nfs/dbraw/zinc/27/26/49/469272649.db2.gz QFPOCFLROMDPSS-STQMWFEESA-N -1 3 326.805 2.057 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)CCC1 ZINC000616175824 469390130 /nfs/dbraw/zinc/39/01/30/469390130.db2.gz IGGNMWLYXOEIGQ-LBPRGKRZSA-N -1 3 326.805 2.387 10 30 EEEEHM C=CC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccncc1 ZINC000734505180 577304167 /nfs/dbraw/zinc/30/41/67/577304167.db2.gz ZSGVSDJQFPZPIU-LBPRGKRZSA-N -1 3 340.836 2.373 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744033899 577892287 /nfs/dbraw/zinc/89/22/87/577892287.db2.gz YLMSORCVJOIAOK-HYJLXUOHSA-N -1 3 326.352 2.477 10 30 EEEEHM N#Cc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000255713158 679826264 /nfs/dbraw/zinc/82/62/64/679826264.db2.gz DGJRITZXTVUOFE-KTKRTIGZSA-N -1 3 330.351 2.068 10 30 EEEEHM N#Cc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000255713158 679826265 /nfs/dbraw/zinc/82/62/65/679826265.db2.gz DGJRITZXTVUOFE-KTKRTIGZSA-N -1 3 330.351 2.068 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000896093408 684837720 /nfs/dbraw/zinc/83/77/20/684837720.db2.gz ACJZABMHKSQFDT-ZDUSSCGKSA-N -1 3 333.436 2.053 10 30 EEEEHM CN1C(=O)C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)[C@H]1c1cccnc1 ZINC000904178488 694321780 /nfs/dbraw/zinc/32/17/80/694321780.db2.gz LMLBGFPKJXPTHA-DOTOQJQBSA-N -1 3 343.358 2.158 10 30 EEEEHM CCCCCCN([O-])C(=O)CCc1ccc(S(=O)(=O)NC)cc1 ZINC000904205525 694328370 /nfs/dbraw/zinc/32/83/70/694328370.db2.gz LBRALRKTZAYKHB-UHFFFAOYSA-N -1 3 342.461 2.325 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)nn1 ZINC001670839592 1187420189 /nfs/dbraw/zinc/42/01/89/1187420189.db2.gz ZYRYWMXKQLLYFR-UHFFFAOYSA-N -1 3 344.799 2.125 10 30 EEEEHM Cc1ncc(CO)c(/C=N\CCOC(F)(F)C(F)(F)F)c1[O-] ZINC000871596729 1197787257 /nfs/dbraw/zinc/78/72/57/1197787257.db2.gz BWQYSGBOZAKNEP-DVZOWYKESA-N -1 3 328.237 2.179 10 30 EEEEHM N#Cc1ccccc1NC(=O)CCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001413057484 1224490361 /nfs/dbraw/zinc/49/03/61/1224490361.db2.gz JANZUUQMLRARBN-UHFFFAOYSA-N -1 3 349.394 2.276 10 30 EEEEHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)C(=O)OCC ZINC000870030475 1200418920 /nfs/dbraw/zinc/41/89/20/1200418920.db2.gz GSJOZVREKIBRLA-JTQLQIEISA-N -1 3 339.766 2.117 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC ZINC000867623503 1201646261 /nfs/dbraw/zinc/64/62/61/1201646261.db2.gz GUFPJOPUYGAILW-INIZCTEOSA-N -1 3 335.425 2.401 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(=O)OC ZINC000867623119 1201646264 /nfs/dbraw/zinc/64/62/64/1201646264.db2.gz BZBKMNDCMKCYBQ-MYSGNRETSA-N -1 3 327.377 2.224 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(=O)OC ZINC000867623121 1201646283 /nfs/dbraw/zinc/64/62/83/1201646283.db2.gz BZBKMNDCMKCYBQ-VFNNOXKTSA-N -1 3 327.377 2.224 10 30 EEEEHM C=CCCc1ccc(S(=O)(=O)N2CCc3c(=O)[n-]cnc3C2)cc1 ZINC000882057137 1201809146 /nfs/dbraw/zinc/80/91/46/1201809146.db2.gz OSRPKHXURJTNRG-UHFFFAOYSA-N -1 3 345.424 2.048 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCOCC1 ZINC000885838974 1202446532 /nfs/dbraw/zinc/44/65/32/1202446532.db2.gz ZUMOZQBRMSDIOO-UHFFFAOYSA-N -1 3 331.796 2.330 10 30 EEEEHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(Cl)n1 ZINC000113654290 1225243172 /nfs/dbraw/zinc/24/31/72/1225243172.db2.gz FWUGRFAQAOHXDF-LLVKDONJSA-N -1 3 343.774 2.157 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001489408464 1290555772 /nfs/dbraw/zinc/55/57/72/1290555772.db2.gz DLEYUKUIKNETBN-SJORKVTESA-N -1 3 340.423 2.209 10 30 EEEEHM C[C@H](C#N)Oc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001152036575 1316623905 /nfs/dbraw/zinc/62/39/05/1316623905.db2.gz UMNPJVOKHZVVNM-SECBINFHSA-N -1 3 328.284 2.239 10 30 EEEEHM C=CCN1CC[C@H](N(C)C(=O)c2cc3sccc3c([O-])c2)C1=O ZINC001155856900 1317767500 /nfs/dbraw/zinc/76/75/00/1317767500.db2.gz AGXICKZWIQXREK-ZDUSSCGKSA-N -1 3 330.409 2.466 10 30 EEEEHM O=C(c1ccc(Cn2ccnn2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001161849773 1320646143 /nfs/dbraw/zinc/64/61/43/1320646143.db2.gz RQMAMJDQCWSWEO-UHFFFAOYSA-N -1 3 326.331 2.497 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)CC2(C)CCCCC2)n1 ZINC001264582521 1322738255 /nfs/dbraw/zinc/73/82/55/1322738255.db2.gz AMGLNQUQQOTJQX-UHFFFAOYSA-N -1 3 344.459 2.272 10 30 EEEEHM C=CC1(CC(=O)NCC[C@H](C)NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001317409895 1332217554 /nfs/dbraw/zinc/21/75/54/1332217554.db2.gz XVXLIFWSVLWOTH-ZDUSSCGKSA-N -1 3 335.452 2.021 10 30 EEEEHM C#C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H]1CCCO1 ZINC001616964013 1352334409 /nfs/dbraw/zinc/33/44/09/1352334409.db2.gz LFKBRMUQZNVGCN-KBPBESRZSA-N -1 3 330.771 2.092 10 30 EEEEHM COc1ccccc1Nc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC001556750240 1342433470 /nfs/dbraw/zinc/43/34/70/1342433470.db2.gz DIVNCPMAMASTMV-OAHLLOKOSA-N -1 3 341.367 2.159 10 30 EEEEHM O=S1(=O)[N-]/C(=N/C[C@H]2CCN2C2CCCCC2)c2ccccc21 ZINC001647323156 1353231202 /nfs/dbraw/zinc/23/12/02/1353231202.db2.gz IVUKOMXEIHXEQL-CQSZACIVSA-N -1 3 333.457 2.132 10 30 EEEEHM C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001675417381 1356974444 /nfs/dbraw/zinc/97/44/44/1356974444.db2.gz HHMDYTBYOYZOCD-BEFAXECRSA-N -1 3 345.443 2.059 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N(C)CCN(C(=O)c1cnc[n-]c1=O)C(C)C ZINC001680951712 1357934070 /nfs/dbraw/zinc/93/40/70/1357934070.db2.gz PCNPGIPRUBKKDK-UHFFFAOYSA-N -1 3 348.447 2.094 10 30 EEEEHM C/C(=C\C(=O)N[C@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820179608 785824635 /nfs/dbraw/zinc/82/46/35/785824635.db2.gz MVLDEXYMNFYCSG-BCPZQOPPSA-N -1 3 328.290 2.215 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000820185629 785827781 /nfs/dbraw/zinc/82/77/81/785827781.db2.gz PFGWWNCUJIJWRL-OAHLLOKOSA-N -1 3 347.802 2.467 10 30 EEEEHM COCc1nocc1C(=O)[N-]c1nc2c(cc1C#N)C[C@H](C)CC2 ZINC001440107459 1093168736 /nfs/dbraw/zinc/16/87/36/1093168736.db2.gz YYDJQPJTPQISKY-SNVBAGLBSA-N -1 3 326.356 2.465 10 30 EEEEHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)NCc1ccco1 ZINC001442751939 1097128484 /nfs/dbraw/zinc/12/84/84/1097128484.db2.gz BJNPPBQBLCYJSU-LLVKDONJSA-N -1 3 347.321 2.064 10 30 EEEEHM C=CCC1(C(=O)NCC[C@@H](C)NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001480813149 1107164548 /nfs/dbraw/zinc/16/45/48/1107164548.db2.gz FQQXWBWUDWOLCV-CYBMUJFWSA-N -1 3 335.452 2.021 10 30 EEEEHM C=CCn1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)nn1 ZINC001456145838 1109104531 /nfs/dbraw/zinc/10/45/31/1109104531.db2.gz DTODYXJFBDNXIU-UHFFFAOYSA-N -1 3 344.375 2.298 10 30 EEEEHM N#Cc1cccc(CN2CCC(NC(=O)c3ccc([O-])cn3)CC2)c1 ZINC001469675785 1110494941 /nfs/dbraw/zinc/49/49/41/1110494941.db2.gz XJWMPEIXYRUMKL-UHFFFAOYSA-N -1 3 336.395 2.053 10 30 EEEEHM C#CCCCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001509627175 1115871942 /nfs/dbraw/zinc/87/19/42/1115871942.db2.gz PXVNCCNIDARYCA-OSYLJGHBSA-N -1 3 340.423 2.020 10 30 EEEEHM C=CC(C)(C)CC(=O)NCCC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001510080376 1115973438 /nfs/dbraw/zinc/97/34/38/1115973438.db2.gz GLIVVABAMSTAHC-LBPRGKRZSA-N -1 3 348.447 2.108 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC2(CCC2)OC[C@@H]1C ZINC001524190500 1120001405 /nfs/dbraw/zinc/00/14/05/1120001405.db2.gz WKPIULQIJMGBBV-LBPRGKRZSA-N -1 3 345.403 2.363 10 30 EEEEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl ZINC000052299848 214125697 /nfs/dbraw/zinc/12/56/97/214125697.db2.gz GWSZSNHSBJWXRE-PRHODGIISA-N -1 3 334.224 2.024 10 30 EEEEHM O=S(=O)([N-]Cc1cccc(C#CCO)c1)c1ccc(Cl)s1 ZINC000049590730 214021369 /nfs/dbraw/zinc/02/13/69/214021369.db2.gz YKYLLGWYANLMKV-UHFFFAOYSA-N -1 3 341.841 2.224 10 30 EEEEHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)CCO1 ZINC000451820129 243279455 /nfs/dbraw/zinc/27/94/55/243279455.db2.gz XQEYFCHTXBCDEN-DGCLKSJQSA-N -1 3 328.459 2.349 10 30 EEEEHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(C#N)nc3)n2)cc1 ZINC000355731703 163284149 /nfs/dbraw/zinc/28/41/49/163284149.db2.gz SMIDIHBPSIJRIO-UHFFFAOYSA-N -1 3 341.352 2.042 10 30 EEEEHM N#Cc1cccnc1N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295029361 270018188 /nfs/dbraw/zinc/01/81/88/270018188.db2.gz XJNOKMQXQYOXQQ-UHFFFAOYSA-N -1 3 330.338 2.259 10 30 EEEEHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000291829043 275344146 /nfs/dbraw/zinc/34/41/46/275344146.db2.gz FUXSKDXIKATJKS-UHFFFAOYSA-N -1 3 337.376 2.425 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000162767018 463536515 /nfs/dbraw/zinc/53/65/15/463536515.db2.gz FAAWMUDIHCNLHL-PWSUYJOCSA-N -1 3 348.346 2.016 10 30 EEEEHM C=CCSCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000194580400 463887397 /nfs/dbraw/zinc/88/73/97/463887397.db2.gz VQNXNEBSZRGRHG-AWEZNQCLSA-N -1 3 334.441 2.032 10 30 EEEEHM C[C@@H](C#N)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000543434016 468393764 /nfs/dbraw/zinc/39/37/64/468393764.db2.gz FVJCJJCKHZIXGT-QMMMGPOBSA-N -1 3 334.173 2.180 10 30 EEEEHM C=CCOc1cccnc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000342380912 465316815 /nfs/dbraw/zinc/31/68/15/465316815.db2.gz PCPZXQQILVVYJM-UHFFFAOYSA-N -1 3 336.355 2.003 10 30 EEEEHM C=CCOc1cccnc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000342380912 465316820 /nfs/dbraw/zinc/31/68/20/465316820.db2.gz PCPZXQQILVVYJM-UHFFFAOYSA-N -1 3 336.355 2.003 10 30 EEEEHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(OC)c(C#N)c1 ZINC000340042576 465716127 /nfs/dbraw/zinc/71/61/27/465716127.db2.gz GXAGHYDPGKDSTF-UHFFFAOYSA-N -1 3 345.380 2.450 10 30 EEEEHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc([O-])c3)C2=O)cc1 ZINC000357574307 466144970 /nfs/dbraw/zinc/14/49/70/466144970.db2.gz JLKJYAVEKDTOTJ-QGZVFWFLSA-N -1 3 335.363 2.189 10 30 EEEEHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427776889 467177601 /nfs/dbraw/zinc/17/76/01/467177601.db2.gz GXJOIMDJYAXALG-UHFFFAOYSA-N -1 3 327.369 2.247 10 30 EEEEHM CN(CC(C)(C)C#N)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436982311 467555171 /nfs/dbraw/zinc/55/51/71/467555171.db2.gz GILZMQKBNQICCJ-CQSZACIVSA-N -1 3 329.400 2.005 10 30 EEEEHM N#CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000444039771 467581940 /nfs/dbraw/zinc/58/19/40/467581940.db2.gz YOHAVRWSIFFXOU-UHFFFAOYSA-N -1 3 346.184 2.419 10 30 EEEEHM N#CCN(C(=O)c1cnc2ccc(Br)cc2c1[O-])C1CC1 ZINC000444039771 467581941 /nfs/dbraw/zinc/58/19/41/467581941.db2.gz YOHAVRWSIFFXOU-UHFFFAOYSA-N -1 3 346.184 2.419 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c(F)c1 ZINC000594472336 468598704 /nfs/dbraw/zinc/59/87/04/468598704.db2.gz AAZQSYQCWOCNNE-HOCLYGCPSA-N -1 3 338.404 2.323 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594475618 468599652 /nfs/dbraw/zinc/59/96/52/468599652.db2.gz WQZQQXSQGKBEGP-GXTWGEPZSA-N -1 3 326.443 2.246 10 30 EEEEHM C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000594487624 468605906 /nfs/dbraw/zinc/60/59/06/468605906.db2.gz NUIUJZFNDORUMH-DZGCQCFKSA-N -1 3 348.428 2.027 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cccnc1N1CCCC1 ZINC000594803451 468692573 /nfs/dbraw/zinc/69/25/73/468692573.db2.gz NOUYBVKHTYYYIN-UHFFFAOYSA-N -1 3 348.453 2.093 10 30 EEEEHM N#CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000597905889 468707330 /nfs/dbraw/zinc/70/73/30/468707330.db2.gz HVTRFDDJGOPYLF-GDBMZVCRSA-N -1 3 341.411 2.149 10 30 EEEEHM COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)C#N)c1 ZINC000572446223 468932713 /nfs/dbraw/zinc/93/27/13/468932713.db2.gz LCYSKRLHZGWMKY-UHFFFAOYSA-N -1 3 333.207 2.038 10 30 EEEEHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2ccc(C#N)nc2)on1 ZINC000734602459 577313154 /nfs/dbraw/zinc/31/31/54/577313154.db2.gz LKMLLOADCKXEAW-UHFFFAOYSA-N -1 3 328.328 2.034 10 30 EEEEHM Cc1cc(Cl)cc(C=NNc2ccccc2S(N)(=O)=O)c1[O-] ZINC000773113922 577316699 /nfs/dbraw/zinc/31/66/99/577316699.db2.gz OSRJBGYFKXYOQT-UHFFFAOYSA-N -1 3 339.804 2.447 10 30 EEEEHM COc1cccc([O-])c1/C=N/Cc1cccc(N2CCOCC2)n1 ZINC000773905240 577372538 /nfs/dbraw/zinc/37/25/38/577372538.db2.gz JZECWVDFDSNBNR-CPNJWEJPSA-N -1 3 327.384 2.252 10 30 EEEEHM CCOc1ccc(CN2CCN(c3ncccc3C#N)CC2)c([O-])c1 ZINC000768218909 577552310 /nfs/dbraw/zinc/55/23/10/577552310.db2.gz AYOHEIIIPJAEAZ-UHFFFAOYSA-N -1 3 338.411 2.380 10 30 EEEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000770392014 577595290 /nfs/dbraw/zinc/59/52/90/577595290.db2.gz PZSABBKCCAUGHR-LLVKDONJSA-N -1 3 329.805 2.207 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1[O-] ZINC000760213605 577658920 /nfs/dbraw/zinc/65/89/20/577658920.db2.gz RKUNRSGQDJJRPO-PPAWOMOGSA-N -1 3 345.443 2.188 10 30 EEEEHM C=CCN(C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1)C(C)C ZINC000897595945 691663190 /nfs/dbraw/zinc/66/31/90/691663190.db2.gz JZISCTRNOVVTHU-AWEZNQCLSA-N -1 3 347.463 2.490 10 30 EEEEHM CC(=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1)c1cn[nH]c1 ZINC000794845870 1198256393 /nfs/dbraw/zinc/25/63/93/1198256393.db2.gz AJMODWQDZZIXIK-ZDUSSCGKSA-N -1 3 342.384 2.075 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000882611662 1201906927 /nfs/dbraw/zinc/90/69/27/1201906927.db2.gz AZEBJJNIXZEWQN-APWZRJJASA-N -1 3 343.427 2.426 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(C)c1)C(=O)OCC ZINC000882644586 1201912579 /nfs/dbraw/zinc/91/25/79/1201912579.db2.gz KHZDUYGXIUGPGJ-HNNXBMFYSA-N -1 3 325.430 2.312 10 30 EEEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(OCc2ccccc2)cs1 ZINC000861826918 1295555368 /nfs/dbraw/zinc/55/53/68/1295555368.db2.gz BTOZUUHGSQFRPF-AWEZNQCLSA-N -1 3 346.408 2.437 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001214057207 1296283202 /nfs/dbraw/zinc/28/32/02/1296283202.db2.gz TTYVJXCGPFFKLQ-CXAGYDPISA-N -1 3 337.441 2.448 10 30 EEEEHM C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001281032199 1324731063 /nfs/dbraw/zinc/73/10/63/1324731063.db2.gz LMOCKXYJIDVRGN-CQSZACIVSA-N -1 3 336.391 2.264 10 30 EEEEHM C#CCCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001287870126 1327553294 /nfs/dbraw/zinc/55/32/94/1327553294.db2.gz XWWIVMMGZKJZBZ-ZBFHGGJFSA-N -1 3 328.412 2.305 10 30 EEEEHM CCCCCCCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H]1C ZINC001287900535 1327561134 /nfs/dbraw/zinc/56/11/34/1327561134.db2.gz NMHJNJLOYSDESY-KBPBESRZSA-N -1 3 335.452 2.275 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288217348 1327673280 /nfs/dbraw/zinc/67/32/80/1327673280.db2.gz UNULZOAMRFLYHE-ZDUSSCGKSA-N -1 3 348.447 2.045 10 30 EEEEHM C=C[C@H](CC)CC(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288217258 1327673725 /nfs/dbraw/zinc/67/37/25/1327673725.db2.gz SSMDBXZHCONWDE-OCCSQVGLSA-N -1 3 348.447 2.045 10 30 EEEEHM CC(C)N(CCCNC(=O)C#CC1CC1)C(=O)c1ccccc1[O-] ZINC001296693619 1329911797 /nfs/dbraw/zinc/91/17/97/1329911797.db2.gz DQIPHGFJJRROID-UHFFFAOYSA-N -1 3 328.412 2.163 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001297843065 1330008549 /nfs/dbraw/zinc/00/85/49/1330008549.db2.gz SDWKMMSATICPIO-CYBMUJFWSA-N -1 3 348.447 2.045 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOC(F)(F)F ZINC001330615393 1334877700 /nfs/dbraw/zinc/87/77/00/1334877700.db2.gz GFYIALFUJPPKMJ-UHFFFAOYSA-N -1 3 332.278 2.288 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC2(CCCC2)OC[C@H]1C ZINC001340501680 1337198324 /nfs/dbraw/zinc/19/83/24/1337198324.db2.gz MJKADRQOGHSMLJ-GFCCVEGCSA-N -1 3 345.403 2.363 10 30 EEEEHM C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572044555 1343370322 /nfs/dbraw/zinc/37/03/22/1343370322.db2.gz RMYPQFLUDKMXOB-XGUBFFRZSA-N -1 3 330.428 2.475 10 30 EEEEHM O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001572421108 1343487370 /nfs/dbraw/zinc/48/73/70/1343487370.db2.gz UEDVIAQPTBUPGY-PXNSSMCTSA-N -1 3 338.407 2.059 10 30 EEEEHM Cc1nsc([N-]C(=O)c2nc(-c3cnn(C)c3)oc2C)c1C#N ZINC001585892507 1348825492 /nfs/dbraw/zinc/82/54/92/1348825492.db2.gz KKGFKTALOFGJBN-UHFFFAOYSA-N -1 3 328.357 2.272 10 30 EEEEHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001631714180 1352588405 /nfs/dbraw/zinc/58/84/05/1352588405.db2.gz ZACJDQJXIWYZBC-KMKOMSMNSA-N -1 3 337.314 2.227 10 30 EEEEHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001631714180 1352588409 /nfs/dbraw/zinc/58/84/09/1352588409.db2.gz ZACJDQJXIWYZBC-KMKOMSMNSA-N -1 3 337.314 2.227 10 30 EEEEHM C=CCCCC(=O)N[C@@H](C)C1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001675338686 1356967807 /nfs/dbraw/zinc/96/78/07/1356967807.db2.gz YTHLVFCOAGETND-ZDUSSCGKSA-N -1 3 344.459 2.352 10 30 EEEEHM C=C(C)[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1)OCC ZINC001687906112 1358665620 /nfs/dbraw/zinc/66/56/20/1358665620.db2.gz RYPXCBRRQARPCV-YOEHRIQHSA-N -1 3 346.427 2.094 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000816692274 784200449 /nfs/dbraw/zinc/20/04/49/784200449.db2.gz KGDFPWYYKQYGDB-CKYFFXLPSA-N -1 3 329.183 2.203 10 30 EEEEHM O=C(CCCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN([O-])C1=O ZINC000816694178 784201191 /nfs/dbraw/zinc/20/11/91/784201191.db2.gz ACANUJMXPQISFI-GFCCVEGCSA-N -1 3 331.199 2.422 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000816694941 784201361 /nfs/dbraw/zinc/20/13/61/784201361.db2.gz RHGIRZDFKMZUOC-ZDUSSCGKSA-N -1 3 338.791 2.381 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cccnc1SCC1CCCCC1 ZINC000820174484 785822271 /nfs/dbraw/zinc/82/22/71/785822271.db2.gz JZPTZGPUHYEQBT-AWEZNQCLSA-N -1 3 349.456 2.474 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000909000504 785930086 /nfs/dbraw/zinc/93/00/86/785930086.db2.gz KKXJZKACZQKSJP-UAGQMJEPSA-N -1 3 345.443 2.368 10 30 EEEEHM C=CCN(C)CCN(CC)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001448881930 1093924149 /nfs/dbraw/zinc/92/41/49/1093924149.db2.gz HOJXKUAIPLSWEX-UHFFFAOYSA-N -1 3 346.406 2.297 10 30 EEEEHM Cc1cc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)cc(C)c1C#N ZINC001452046717 1098150677 /nfs/dbraw/zinc/15/06/77/1098150677.db2.gz DIEMQZUFXNRSPR-UHFFFAOYSA-N -1 3 335.367 2.311 10 30 EEEEHM C=CCn1cc(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)nn1 ZINC001463925849 1110383493 /nfs/dbraw/zinc/38/34/93/1110383493.db2.gz FYCUHFPECMSPCU-UHFFFAOYSA-N -1 3 346.387 2.235 10 30 EEEEHM N#Cc1cncc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001471968047 1110536873 /nfs/dbraw/zinc/53/68/73/1110536873.db2.gz VQRRLVFQRBZMTI-UHFFFAOYSA-N -1 3 340.289 2.003 10 30 EEEEHM C=C(C)CCC(=O)N1CCC[C@@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001499936317 1112547303 /nfs/dbraw/zinc/54/73/03/1112547303.db2.gz KXCJPGMQOPHUEZ-CYBMUJFWSA-N -1 3 341.415 2.035 10 30 EEEEHM C=CCCCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001532583001 1122816261 /nfs/dbraw/zinc/81/62/61/1122816261.db2.gz PGJPMIAAUYRCIN-AWEZNQCLSA-N -1 3 346.431 2.040 10 30 EEEEHM COc1nn(C)cc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001534442724 1123327413 /nfs/dbraw/zinc/32/74/13/1123327413.db2.gz OEYNGVGFKOSOJW-UHFFFAOYSA-N -1 3 335.707 2.114 10 30 EEEEHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000088810362 539370678 /nfs/dbraw/zinc/37/06/78/539370678.db2.gz VOTGXZQERCDABV-SNVBAGLBSA-N -1 3 342.355 2.363 10 30 EEEEHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000451817667 243278603 /nfs/dbraw/zinc/27/86/03/243278603.db2.gz MDPFHLHZXABLMT-WFASDCNBSA-N -1 3 340.420 2.427 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000533498045 270022798 /nfs/dbraw/zinc/02/27/98/270022798.db2.gz SYYJAFXMMCQSFN-IBGZPJMESA-N -1 3 348.362 2.174 10 30 EEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000186646938 464041078 /nfs/dbraw/zinc/04/10/78/464041078.db2.gz KGUVXAZWPDBNRO-SNVBAGLBSA-N -1 3 344.483 2.395 10 30 EEEEHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000288698432 464056037 /nfs/dbraw/zinc/05/60/37/464056037.db2.gz XZOVXXICFHLKMG-SNVBAGLBSA-N -1 3 339.364 2.024 10 30 EEEEHM CC(C)COC1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000331177662 465967405 /nfs/dbraw/zinc/96/74/05/465967405.db2.gz QJOGYHIVFXLFMH-UHFFFAOYSA-N -1 3 349.357 2.375 10 30 EEEEHM CC(C)COC1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000331177662 465967412 /nfs/dbraw/zinc/96/74/12/465967412.db2.gz QJOGYHIVFXLFMH-UHFFFAOYSA-N -1 3 349.357 2.375 10 30 EEEEHM CC(C)COC1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000331177662 465967420 /nfs/dbraw/zinc/96/74/20/465967420.db2.gz QJOGYHIVFXLFMH-UHFFFAOYSA-N -1 3 349.357 2.375 10 30 EEEEHM CN(CCC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000347032974 466337794 /nfs/dbraw/zinc/33/77/94/466337794.db2.gz QOMYFCSZVOBSNG-UHFFFAOYSA-N -1 3 334.173 2.276 10 30 EEEEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000528558411 467702881 /nfs/dbraw/zinc/70/28/81/467702881.db2.gz XEJDEKQLVQCUEI-QOBXEIRBSA-N -1 3 328.821 2.302 10 30 EEEEHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)C2CC2)s1 ZINC000589897728 468193956 /nfs/dbraw/zinc/19/39/56/468193956.db2.gz BKPABTHXSKYOPA-AWEZNQCLSA-N -1 3 348.453 2.456 10 30 EEEEHM C[C@]1(c2cccc(-c3noc(CCCCC#N)n3)c2)NC(=O)[N-]C1=O ZINC000594541091 468617399 /nfs/dbraw/zinc/61/73/99/468617399.db2.gz XXYUTSXLHIZFTH-QGZVFWFLSA-N -1 3 339.355 2.028 10 30 EEEEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594790141 468685897 /nfs/dbraw/zinc/68/58/97/468685897.db2.gz SHDADDKEIFKMTA-GFCCVEGCSA-N -1 3 341.864 2.363 10 30 EEEEHM C=CCCSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000594815577 468694797 /nfs/dbraw/zinc/69/47/97/468694797.db2.gz WZEZSSIVWCTLLH-UHFFFAOYSA-N -1 3 346.430 2.191 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)c(Cl)c1 ZINC000594866208 468711970 /nfs/dbraw/zinc/71/19/70/468711970.db2.gz OTLJUIRJXZRBDT-UHFFFAOYSA-N -1 3 340.832 2.041 10 30 EEEEHM C=CCCSCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000597968952 468728846 /nfs/dbraw/zinc/72/88/46/468728846.db2.gz RPPKFZBMAXYFHM-OAHLLOKOSA-N -1 3 348.468 2.422 10 30 EEEEHM CCc1nc(S(=O)(=O)[N-]CC2(C#N)CCCC2)cn1CC1CC1 ZINC000595342738 468818495 /nfs/dbraw/zinc/81/84/95/468818495.db2.gz QHZKZQKUJSPDKV-UHFFFAOYSA-N -1 3 336.461 2.218 10 30 EEEEHM C[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)N(C)Cc1ccccc1 ZINC000593541736 469025988 /nfs/dbraw/zinc/02/59/88/469025988.db2.gz NQZXGAMLYDHWSX-CYBMUJFWSA-N -1 3 349.481 2.419 10 30 EEEEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000593560800 469035568 /nfs/dbraw/zinc/03/55/68/469035568.db2.gz PPKJOORPEVSUBT-ZDUSSCGKSA-N -1 3 342.442 2.020 10 30 EEEEHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593577920 469044915 /nfs/dbraw/zinc/04/49/15/469044915.db2.gz CJPRWBUSACOHLA-RYUDHWBXSA-N -1 3 328.459 2.492 10 30 EEEEHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)n[nH]1 ZINC000593586358 469047842 /nfs/dbraw/zinc/04/78/42/469047842.db2.gz SKBCMYSSXDRRSB-IUCAKERBSA-N -1 3 339.446 2.291 10 30 EEEEHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)[nH]1 ZINC000593586358 469047847 /nfs/dbraw/zinc/04/78/47/469047847.db2.gz SKBCMYSSXDRRSB-IUCAKERBSA-N -1 3 339.446 2.291 10 30 EEEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000657036239 471944999 /nfs/dbraw/zinc/94/49/99/471944999.db2.gz CDFGKHKJIKEIBU-QWHCGFSZSA-N -1 3 325.434 2.079 10 30 EEEEHM C=CCOCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000679477338 485707075 /nfs/dbraw/zinc/70/70/75/485707075.db2.gz QEFISZGVVXHKCV-UHFFFAOYSA-N -1 3 340.264 2.300 10 30 EEEEHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-]C2(C#N)CC2)CC1 ZINC000377377318 526393544 /nfs/dbraw/zinc/39/35/44/526393544.db2.gz ZWDIMHGZUZAIQW-UHFFFAOYSA-N -1 3 343.374 2.441 10 30 EEEEHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744034686 577892442 /nfs/dbraw/zinc/89/24/42/577892442.db2.gz FAYFBALQXPVFMU-HYJLXUOHSA-N -1 3 325.368 2.002 10 30 EEEEHM CCC[C@@H]1C[C@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001649041426 1193487499 /nfs/dbraw/zinc/48/74/99/1193487499.db2.gz SEDRQHSPQUCPLX-IUODEOHRSA-N -1 3 330.384 2.327 10 30 EEEEHM C[C@@H](NCc1cc(C#N)ccc1F)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001485135108 1191659599 /nfs/dbraw/zinc/65/95/99/1191659599.db2.gz BUEUUCKHGJVRGJ-VXGBXAGGSA-N -1 3 342.374 2.095 10 30 EEEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1CCCC2 ZINC000125613924 1199406236 /nfs/dbraw/zinc/40/62/36/1199406236.db2.gz IGTIXRTUKWUPRJ-LBPRGKRZSA-N -1 3 338.367 2.189 10 30 EEEEHM CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001488250455 1287002874 /nfs/dbraw/zinc/00/28/74/1287002874.db2.gz RHKOSLVQBKIWNK-GOEBONIOSA-N -1 3 328.412 2.161 10 30 EEEEHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001211375958 1295857495 /nfs/dbraw/zinc/85/74/95/1295857495.db2.gz ORIXLHWRSZZPSS-SECBINFHSA-N -1 3 346.861 2.413 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCSC[C@H]1C ZINC001122490490 1310308490 /nfs/dbraw/zinc/30/84/90/1310308490.db2.gz LPASPWKZZNUIPB-SECBINFHSA-N -1 3 339.856 2.234 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCSC[C@H]1C ZINC001122490490 1310308497 /nfs/dbraw/zinc/30/84/97/1310308497.db2.gz LPASPWKZZNUIPB-SECBINFHSA-N -1 3 339.856 2.234 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1nc(CNC(=O)[C@@H](C)CCC)cc(=O)[n-]1 ZINC001282234292 1325659785 /nfs/dbraw/zinc/65/97/85/1325659785.db2.gz PCFNDFLRJXRTGC-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM CC(C)C#CC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001284111121 1326412046 /nfs/dbraw/zinc/41/20/46/1326412046.db2.gz COOJCXNMDKNLMF-OAHLLOKOSA-N -1 3 328.412 2.020 10 30 EEEEHM C=CC1(CC(=O)N(C)C2CC(NCc3n[nH]c(=O)[n-]3)C2)CCCCC1 ZINC001284799287 1326719978 /nfs/dbraw/zinc/71/99/78/1326719978.db2.gz FOXXTOKWHMSUNX-UHFFFAOYSA-N -1 3 347.463 2.116 10 30 EEEEHM CC(C)C#CC(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001285127238 1326878983 /nfs/dbraw/zinc/87/89/83/1326878983.db2.gz CHFKCAPBLLVLEG-IBGZPJMESA-N -1 3 328.412 2.066 10 30 EEEEHM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001334417479 1336251071 /nfs/dbraw/zinc/25/10/71/1336251071.db2.gz CEFFYEGMIRUGDI-IFXJQAMLSA-N -1 3 348.443 2.198 10 30 EEEEHM C=CCCCC(=O)N1C[C@H](NC(=O)c2cccc3n[n-]nc32)C[C@H]1C ZINC001338145019 1336801523 /nfs/dbraw/zinc/80/15/23/1336801523.db2.gz CTZFWWXOCBLUBZ-CHWSQXEVSA-N -1 3 341.415 2.033 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001339847171 1337083559 /nfs/dbraw/zinc/08/35/59/1337083559.db2.gz FIHCSOJGGWLWDZ-RYUDHWBXSA-N -1 3 348.447 2.106 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001339868741 1337087461 /nfs/dbraw/zinc/08/74/61/1337087461.db2.gz XIMGAOOTLQJELR-DTWKUNHWSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001339868741 1337087463 /nfs/dbraw/zinc/08/74/63/1337087463.db2.gz XIMGAOOTLQJELR-DTWKUNHWSA-N -1 3 339.856 2.233 10 30 EEEEHM N#Cc1cncc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC001596862832 1349912995 /nfs/dbraw/zinc/91/29/95/1349912995.db2.gz XWKLEVVLYSMJPI-UHFFFAOYSA-N -1 3 332.266 2.270 10 30 EEEEHM C#Cc1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001622157504 1352378923 /nfs/dbraw/zinc/37/89/23/1352378923.db2.gz VEOWEOICAIVLJL-UHFFFAOYSA-N -1 3 346.383 2.109 10 30 EEEEHM C=CCCCS(=O)(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001657358066 1354338095 /nfs/dbraw/zinc/33/80/95/1354338095.db2.gz MGFPLRJGGHVFKB-JOCQHMNTSA-N -1 3 325.434 2.094 10 30 EEEEHM C=C(C)CCC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001682163720 1358149225 /nfs/dbraw/zinc/14/92/25/1358149225.db2.gz WBMNKBBDUAWDRF-GOEBONIOSA-N -1 3 328.412 2.421 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCCCN(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001687772191 1358613510 /nfs/dbraw/zinc/61/35/10/1358613510.db2.gz MHPQUXVKSYPEIT-GOSISDBHSA-N -1 3 348.447 2.061 10 30 EEEEHM CCCOc1ccccc1C(=O)C[N-]S(=O)(=O)CC(C)(C)C#N ZINC000919040057 769535299 /nfs/dbraw/zinc/53/52/99/769535299.db2.gz XNLUJVNOGDWHGA-UHFFFAOYSA-N -1 3 338.429 2.127 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000816692797 784201074 /nfs/dbraw/zinc/20/10/74/784201074.db2.gz WDROLZIEAQBVQT-SNVBAGLBSA-N -1 3 337.788 2.183 10 30 EEEEHM Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816696405 784202206 /nfs/dbraw/zinc/20/22/06/784202206.db2.gz XVZWHIMQVUCNMB-NSHDSACASA-N -1 3 335.747 2.023 10 30 EEEEHM Cc1ccc(C(=O)C=CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000911854479 787779975 /nfs/dbraw/zinc/77/99/75/787779975.db2.gz KRTFDTMXPRTNCO-LMVHVUTASA-N -1 3 325.368 2.179 10 30 EEEEHM Cc1nn(CCC#N)c(C)c1OC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001463289940 1110371022 /nfs/dbraw/zinc/37/10/22/1110371022.db2.gz SUDKZGPBOHIJBN-UHFFFAOYSA-N -1 3 343.387 2.064 10 30 EEEEHM CC(C)(C)C#CC(=O)N[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001506445960 1114613131 /nfs/dbraw/zinc/61/31/31/1114613131.db2.gz LLWHPBUTKBKYIF-LJQANCHMSA-N -1 3 328.412 2.163 10 30 EEEEHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001514310979 1118770980 /nfs/dbraw/zinc/77/09/80/1118770980.db2.gz MOPVQMSLNLGJHG-ZIAGYGMSSA-N -1 3 341.415 2.081 10 30 EEEEHM C=CCC(C)(C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cnc[n-]c1=O ZINC001532474795 1122760904 /nfs/dbraw/zinc/76/09/04/1122760904.db2.gz GMXWCKJZDLMQQN-CYBMUJFWSA-N -1 3 348.447 2.045 10 30 EEEEHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000451954333 243321925 /nfs/dbraw/zinc/32/19/25/243321925.db2.gz AHZQSCAUQLGABR-UHFFFAOYSA-N -1 3 337.376 2.257 10 30 EEEEHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000354123649 153119742 /nfs/dbraw/zinc/11/97/42/153119742.db2.gz AJMCBFSDLYSYOD-UHFFFAOYSA-N -1 3 325.777 2.241 10 30 EEEEHM N#Cc1ccc(CS(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(F)c1 ZINC000352327779 162089460 /nfs/dbraw/zinc/08/94/60/162089460.db2.gz CXMLLMQAGXTJEZ-UHFFFAOYSA-N -1 3 336.310 2.459 10 30 EEEEHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000189136199 278974907 /nfs/dbraw/zinc/97/49/07/278974907.db2.gz HGWRWDLOSFYTQM-LBPRGKRZSA-N -1 3 345.415 2.091 10 30 EEEEHM CN1CCC[C@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccccc21 ZINC000582946109 324560628 /nfs/dbraw/zinc/56/06/28/324560628.db2.gz LNXBHZLVCOSFFW-AWEZNQCLSA-N -1 3 342.424 2.203 10 30 EEEEHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000339024250 465034315 /nfs/dbraw/zinc/03/43/15/465034315.db2.gz VQQCVDYOIZYIPG-MRXNPFEDSA-N -1 3 340.420 2.058 10 30 EEEEHM C[C@@H](CN1CCOCC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000328592709 465064279 /nfs/dbraw/zinc/06/42/79/465064279.db2.gz KWCWTPUPYPZHPG-JTQLQIEISA-N -1 3 332.322 2.436 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3(C)CC3)no2)ccc1F ZINC000351170578 465086078 /nfs/dbraw/zinc/08/60/78/465086078.db2.gz FTUJIQZGFXCQGT-UHFFFAOYSA-N -1 3 337.376 2.392 10 30 EEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000160722025 463364450 /nfs/dbraw/zinc/36/44/50/463364450.db2.gz KEOARWAVWQBFTH-AAEUAGOBSA-N -1 3 328.821 2.041 10 30 EEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@@H]1O ZINC000178713497 463949672 /nfs/dbraw/zinc/94/96/72/463949672.db2.gz HIAYXLAOXLRFJP-HOCLYGCPSA-N -1 3 348.811 2.148 10 30 EEEEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)sc1C ZINC000173226875 464213755 /nfs/dbraw/zinc/21/37/55/464213755.db2.gz MXQMBISIFJSDQQ-UHFFFAOYSA-N -1 3 325.390 2.249 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccn(CCC#N)n1)c2=O ZINC000173699116 464308045 /nfs/dbraw/zinc/30/80/45/464308045.db2.gz WXBZXGCXRDAQKA-UHFFFAOYSA-N -1 3 337.339 2.311 10 30 EEEEHM COc1ccc2c([O-])c(C(=O)Nc3ccn(CCC#N)n3)cnc2c1 ZINC000173699116 464308050 /nfs/dbraw/zinc/30/80/50/464308050.db2.gz WXBZXGCXRDAQKA-UHFFFAOYSA-N -1 3 337.339 2.311 10 30 EEEEHM C=CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000344453294 465620484 /nfs/dbraw/zinc/62/04/84/465620484.db2.gz ZQGZYKWPBOXAAL-UHFFFAOYSA-N -1 3 345.424 2.000 10 30 EEEEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(C#Cc2ccccc2)c1 ZINC000348889149 465860014 /nfs/dbraw/zinc/86/00/14/465860014.db2.gz FQJHFQGJNZXGOH-UHFFFAOYSA-N -1 3 343.404 2.391 10 30 EEEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365477066 466831017 /nfs/dbraw/zinc/83/10/17/466831017.db2.gz NURGIEYJNRBQSA-RHSMWYFYSA-N -1 3 343.408 2.009 10 30 EEEEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1F ZINC000428266160 467216941 /nfs/dbraw/zinc/21/69/41/467216941.db2.gz QYIDMYRXXYEWKO-SNVBAGLBSA-N -1 3 335.360 2.140 10 30 EEEEHM C=CCCCCC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000519641819 468188016 /nfs/dbraw/zinc/18/80/16/468188016.db2.gz FZTYXJNTYYICQB-UHFFFAOYSA-N -1 3 328.365 2.285 10 30 EEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000594486444 468605514 /nfs/dbraw/zinc/60/55/14/468605514.db2.gz FVNNQGBBRBKORG-ZIAGYGMSSA-N -1 3 326.393 2.323 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000598046316 468749513 /nfs/dbraw/zinc/74/95/13/468749513.db2.gz BFPWCZHDXKTFSC-GFCCVEGCSA-N -1 3 343.427 2.378 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000595380148 468832461 /nfs/dbraw/zinc/83/24/61/468832461.db2.gz KWEKPJJZWHYHBF-BYCMXARLSA-N -1 3 334.397 2.375 10 30 EEEEHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)CC2(C#N)CC2)on1 ZINC000595403719 468840062 /nfs/dbraw/zinc/84/00/62/468840062.db2.gz HKAZNNXYRNHCRJ-UHFFFAOYSA-N -1 3 347.396 2.073 10 30 EEEEHM CS(=O)(=O)c1cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)co1 ZINC000593115829 468877267 /nfs/dbraw/zinc/87/72/67/468877267.db2.gz JYTVISPCQLNXQU-UHFFFAOYSA-N -1 3 345.380 2.081 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)cn1 ZINC000598628991 468937851 /nfs/dbraw/zinc/93/78/51/468937851.db2.gz WVADIGUPQDUVCX-CYBMUJFWSA-N -1 3 329.372 2.446 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593357690 468949030 /nfs/dbraw/zinc/94/90/30/468949030.db2.gz DDRDYXYCYFMCFU-MRXNPFEDSA-N -1 3 335.354 2.466 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C#N)CCCC1 ZINC000593781801 469135161 /nfs/dbraw/zinc/13/51/61/469135161.db2.gz XZWSABSYUMKEJB-UHFFFAOYSA-N -1 3 326.400 2.409 10 30 EEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599482538 469272162 /nfs/dbraw/zinc/27/21/62/469272162.db2.gz QFPOCFLROMDPSS-QWHCGFSZSA-N -1 3 326.805 2.057 10 30 EEEEHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000612675471 469522648 /nfs/dbraw/zinc/52/26/48/469522648.db2.gz ACKVEPAKYVCRFU-ZBFHGGJFSA-N -1 3 336.457 2.154 10 30 EEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000620314761 469810049 /nfs/dbraw/zinc/81/00/49/469810049.db2.gz PQMJJZRLAVOFHA-UPJWGTAASA-N -1 3 340.470 2.125 10 30 EEEEHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000356360678 526374838 /nfs/dbraw/zinc/37/48/38/526374838.db2.gz MEHUJNKQMWOQNE-LBPRGKRZSA-N -1 3 347.297 2.024 10 30 EEEEHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000356360678 526374844 /nfs/dbraw/zinc/37/48/44/526374844.db2.gz MEHUJNKQMWOQNE-LBPRGKRZSA-N -1 3 347.297 2.024 10 30 EEEEHM COc1ccc(NC(=S)NN=Cc2nc(C)ccc2[O-])cc1OC ZINC000728779356 576526000 /nfs/dbraw/zinc/52/60/00/576526000.db2.gz LQTIBRBLMMEXQA-UHFFFAOYSA-N -1 3 346.412 2.433 10 30 EEEEHM CCCC[C@H](ON=C(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000775907328 577448371 /nfs/dbraw/zinc/44/83/71/577448371.db2.gz OWAZBFIZEJQMBR-VIFPVBQESA-N -1 3 335.330 2.411 10 30 EEEEHM CCCC[C@H](ON=C(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000775907328 577448372 /nfs/dbraw/zinc/44/83/72/577448372.db2.gz OWAZBFIZEJQMBR-VIFPVBQESA-N -1 3 335.330 2.411 10 30 EEEEHM CCCC[C@H](ON=C(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775907328 577448373 /nfs/dbraw/zinc/44/83/73/577448373.db2.gz OWAZBFIZEJQMBR-VIFPVBQESA-N -1 3 335.330 2.411 10 30 EEEEHM C#CC[N-]C(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1cc([O-])ccc1C ZINC000759063331 577636452 /nfs/dbraw/zinc/63/64/52/577636452.db2.gz OPADVINGVQMVMV-UHFFFAOYSA-O -1 3 342.444 2.367 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(-n3ccnn3)cc2)c1[O-] ZINC000755376792 577824430 /nfs/dbraw/zinc/82/44/30/577824430.db2.gz QAYJOIUDQCIRGC-QDBSGRMGSA-N -1 3 337.383 2.349 10 30 EEEEHM C#C[C@H](NCc1ncc(Br)cc1[O-])C1CCOCC1 ZINC000895436184 684599931 /nfs/dbraw/zinc/59/99/31/684599931.db2.gz PTBXJOFLAWMBNX-LBPRGKRZSA-N -1 3 325.206 2.068 10 30 EEEEHM C=CCCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001487354895 1197370749 /nfs/dbraw/zinc/37/07/49/1197370749.db2.gz MNYFRGQDECMDNX-YOEHRIQHSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001487354892 1197370937 /nfs/dbraw/zinc/37/09/37/1197370937.db2.gz MNYFRGQDECMDNX-PBHICJAKSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875979630 1199458690 /nfs/dbraw/zinc/45/86/90/1199458690.db2.gz AOHXFDWJDKXQEY-UHFFFAOYSA-N -1 3 335.370 2.299 10 30 EEEEHM CC#CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000779423043 1210198076 /nfs/dbraw/zinc/19/80/76/1210198076.db2.gz UMJXQTREQSRJDJ-UHFFFAOYSA-N -1 3 347.190 2.049 10 30 EEEEHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3cc(C#N)sc3[N+](=O)[O-])C2)n1 ZINC001187600156 1279584943 /nfs/dbraw/zinc/58/49/43/1279584943.db2.gz MUYSFYFLEPGLCL-SECBINFHSA-N -1 3 346.372 2.023 10 30 EEEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OCC ZINC001194424388 1283051740 /nfs/dbraw/zinc/05/17/40/1283051740.db2.gz HRHGBDRNAJGIAU-UHFFFAOYSA-N -1 3 343.449 2.166 10 30 EEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000859251722 1294364963 /nfs/dbraw/zinc/36/49/63/1294364963.db2.gz CUHUQEHOGOBUEB-UHFFFAOYSA-N -1 3 346.836 2.402 10 30 EEEEHM N#Cc1cccc(-c2nc([N-]C(=O)c3ccc(Cl)nn3)n[nH]2)c1 ZINC001161913974 1320675124 /nfs/dbraw/zinc/67/51/24/1320675124.db2.gz KEVWHHBSNPQROT-UHFFFAOYSA-N -1 3 325.719 2.039 10 30 EEEEHM O=C(CC#Cc1ccccc1)N1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001284013139 1326362410 /nfs/dbraw/zinc/36/24/10/1326362410.db2.gz PTCNFOHDPALSIS-KRWDZBQOSA-N -1 3 348.402 2.165 10 30 EEEEHM C=CCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001286327447 1327374283 /nfs/dbraw/zinc/37/42/83/1327374283.db2.gz HUXHWCPUUQKTAF-CHWSQXEVSA-N -1 3 341.415 2.081 10 30 EEEEHM C#CCCCCC(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001288369303 1327733287 /nfs/dbraw/zinc/73/32/87/1327733287.db2.gz BTQNTSXMNFDGJL-UHFFFAOYSA-N -1 3 340.423 2.474 10 30 EEEEHM C=CC(C)(C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001331494594 1335023426 /nfs/dbraw/zinc/02/34/26/1335023426.db2.gz ZIHIVYMSTZGTCW-UHFFFAOYSA-N -1 3 331.463 2.371 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001335307140 1336362331 /nfs/dbraw/zinc/36/23/31/1336362331.db2.gz HNZQASGZKVMTBM-QSPRXWTASA-N -1 3 342.439 2.429 10 30 EEEEHM Cc1ccc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001335488943 1336383670 /nfs/dbraw/zinc/38/36/70/1336383670.db2.gz CEKQEEYMIAOFGE-UHFFFAOYSA-N -1 3 331.353 2.142 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)CCCC)n1 ZINC001344650215 1337406579 /nfs/dbraw/zinc/40/65/79/1337406579.db2.gz RIVGOCAQTMCXIL-UHFFFAOYSA-N -1 3 348.447 2.207 10 30 EEEEHM COC(=O)c1cccc2[n-]c(NC(=O)C#Cc3cccs3)nc21 ZINC001566730685 1342615235 /nfs/dbraw/zinc/61/52/35/1342615235.db2.gz GEMXFKSJARMRLN-UHFFFAOYSA-N -1 3 325.349 2.401 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C)n1 ZINC001573249387 1343625287 /nfs/dbraw/zinc/62/52/87/1343625287.db2.gz OYQOEHUMDPIKHP-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM C=CCn1cc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2n1 ZINC001645275828 1352775294 /nfs/dbraw/zinc/77/52/94/1352775294.db2.gz IZMYTMCCARYJJT-UHFFFAOYSA-N -1 3 339.311 2.483 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001682138472 1358144862 /nfs/dbraw/zinc/14/48/62/1358144862.db2.gz SPBMZRMACVEUSJ-CVEARBPZSA-N -1 3 342.439 2.410 10 30 EEEEHM C#CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000921439544 773375217 /nfs/dbraw/zinc/37/52/17/773375217.db2.gz CNIPCMRETNCHMU-UHFFFAOYSA-N -1 3 347.267 2.369 10 30 EEEEHM C[C@@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000816691667 784199277 /nfs/dbraw/zinc/19/92/77/784199277.db2.gz WONSNAKWWANNGH-CABZTGNLSA-N -1 3 330.306 2.305 10 30 EEEEHM N#Cc1c2ccccc2[nH]c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001464882598 1110406638 /nfs/dbraw/zinc/40/66/38/1110406638.db2.gz NPZIXWGYHBWHNN-UHFFFAOYSA-N -1 3 343.350 2.150 10 30 EEEEHM N#Cc1c2ccccc2[nH]c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001464882598 1110406639 /nfs/dbraw/zinc/40/66/39/1110406639.db2.gz NPZIXWGYHBWHNN-UHFFFAOYSA-N -1 3 343.350 2.150 10 30 EEEEHM C=CCO[C@H]1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC(=C)C)C1 ZINC001515032261 1118929588 /nfs/dbraw/zinc/92/95/88/1118929588.db2.gz TWOWEXADMCXDAR-NSHDSACASA-N -1 3 349.826 2.074 10 30 EEEEHM C=CCO[C@H]1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC(=C)C)C1 ZINC001515032261 1118929590 /nfs/dbraw/zinc/92/95/90/1118929590.db2.gz TWOWEXADMCXDAR-NSHDSACASA-N -1 3 349.826 2.074 10 30 EEEEHM CC[C@@H]1CCCc2sc(NC(=O)N[C@@H]3CCCN([O-])C3=O)nc21 ZINC001520336125 1119146812 /nfs/dbraw/zinc/14/68/12/1119146812.db2.gz AHWSYSDZGDBWDS-NXEZZACHSA-N -1 3 338.433 2.475 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(CCF)CC1 ZINC001520596515 1119179370 /nfs/dbraw/zinc/17/93/70/1119179370.db2.gz PKCINWIGNDFFID-UHFFFAOYSA-N -1 3 339.806 2.479 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(CCF)CC1 ZINC001520596515 1119179372 /nfs/dbraw/zinc/17/93/72/1119179372.db2.gz PKCINWIGNDFFID-UHFFFAOYSA-N -1 3 339.806 2.479 10 30 EEEEHM C=C(C)CCC(=O)N1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001523214835 1119704196 /nfs/dbraw/zinc/70/41/96/1119704196.db2.gz IEQFFNQMDHBESY-UHFFFAOYSA-N -1 3 341.415 2.035 10 30 EEEEHM CC(C)C#CC(=O)NC[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001532430421 1122743094 /nfs/dbraw/zinc/74/30/94/1122743094.db2.gz MCRDGRNEGYDONK-HNNXBMFYSA-N -1 3 330.428 2.312 10 30 EEEEHM C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001567918103 1124178501 /nfs/dbraw/zinc/17/85/01/1124178501.db2.gz BAMINXQAJYOWDL-HNNXBMFYSA-N -1 3 344.459 2.305 10 30 EEEEHM Cc1csc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000067863469 215235124 /nfs/dbraw/zinc/23/51/24/215235124.db2.gz KDLOIWWWYRXVEV-GFCCVEGCSA-N -1 3 344.440 2.438 10 30 EEEEHM Cc1c(C[N-]S(=O)(=O)c2ccc(C#N)nc2)oc2ccccc12 ZINC000115582327 152030468 /nfs/dbraw/zinc/03/04/68/152030468.db2.gz GRFGCKRMYNATEC-UHFFFAOYSA-N -1 3 327.365 2.486 10 30 EEEEHM Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(C#N)c(C)n1 ZINC000301793590 267338136 /nfs/dbraw/zinc/33/81/36/267338136.db2.gz RWVIPMBXXYDOEF-UHFFFAOYSA-N -1 3 336.395 2.238 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)s1 ZINC000435429288 268255080 /nfs/dbraw/zinc/25/50/80/268255080.db2.gz VLPSBFGUKJXXQX-UHFFFAOYSA-N -1 3 347.421 2.069 10 30 EEEEHM Cn1[n-]c([C@@H]2CCCN2Cc2ccc(C#N)cc2OC(F)F)nc1=N ZINC000450912138 302890527 /nfs/dbraw/zinc/89/05/27/302890527.db2.gz LURBTQIKHGEZPP-LBPRGKRZSA-N -1 3 348.357 2.038 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1COc2ccccc21 ZINC000058727460 463619945 /nfs/dbraw/zinc/61/99/45/463619945.db2.gz WIHWBIFFOFZJCK-MRXNPFEDSA-N -1 3 337.379 2.046 10 30 EEEEHM COC(=O)CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000178496304 463911537 /nfs/dbraw/zinc/91/15/37/463911537.db2.gz QUEMFESNISWURC-UHFFFAOYSA-N -1 3 344.820 2.223 10 30 EEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000186646921 464041134 /nfs/dbraw/zinc/04/11/34/464041134.db2.gz KGUVXAZWPDBNRO-JTQLQIEISA-N -1 3 344.483 2.395 10 30 EEEEHM N#Cc1ccc(OCCNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000174156418 464368644 /nfs/dbraw/zinc/36/86/44/464368644.db2.gz XVQBWEIMJACUAM-UHFFFAOYSA-N -1 3 333.347 2.209 10 30 EEEEHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1ccc(C#N)cc1 ZINC000349862811 466280317 /nfs/dbraw/zinc/28/03/17/466280317.db2.gz ZONGRDQZAYAWRK-UHFFFAOYSA-N -1 3 343.364 2.124 10 30 EEEEHM Cn1[n-]c([C@H]2CCCN2Cc2ccc(C#N)cc2OC(F)F)nc1=N ZINC000450912137 467204743 /nfs/dbraw/zinc/20/47/43/467204743.db2.gz LURBTQIKHGEZPP-GFCCVEGCSA-N -1 3 348.357 2.038 10 30 EEEEHM CO[C@H](CS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C)c1ccc(F)cc1 ZINC000600668346 468614850 /nfs/dbraw/zinc/61/48/50/468614850.db2.gz LFRJAFVNBLYBBQ-UKRRQHHQSA-N -1 3 326.393 2.125 10 30 EEEEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H](C)O1 ZINC000601498649 468894864 /nfs/dbraw/zinc/89/48/64/468894864.db2.gz BNUHRFRTSYJMGM-VDDIYKPWSA-N -1 3 348.346 2.421 10 30 EEEEHM C=CCCCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000565206836 469267899 /nfs/dbraw/zinc/26/78/99/469267899.db2.gz HJSPKOQMHKAQLE-LBPRGKRZSA-N -1 3 330.475 2.278 10 30 EEEEHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000611563896 469280798 /nfs/dbraw/zinc/28/07/98/469280798.db2.gz JDMIHZPXISFIHH-UHFFFAOYSA-N -1 3 338.367 2.092 10 30 EEEEHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c1 ZINC000656186648 471625217 /nfs/dbraw/zinc/62/52/17/471625217.db2.gz MAHIQIXYWGBBBC-UHFFFAOYSA-N -1 3 346.399 2.315 10 30 EEEEHM CCCCCCCCOc1ccc(C=NNC2=NC(=O)C(=O)[N-]2)cc1 ZINC000765592654 577503665 /nfs/dbraw/zinc/50/36/65/577503665.db2.gz IJGQGSBFTLYENP-UHFFFAOYSA-N -1 3 344.415 2.362 10 30 EEEEHM COC[C@@H](C)C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000755887459 577833525 /nfs/dbraw/zinc/83/35/25/577833525.db2.gz KPEVTYISQZPNJY-GWCFXTLKSA-N -1 3 334.401 2.196 10 30 EEEEHM COc1ccc(CNC(=O)c2c[n-]c3ccccc3c2=O)cc1C#N ZINC000747445780 577944441 /nfs/dbraw/zinc/94/44/41/577944441.db2.gz XHNUYIZRBKEWIG-UHFFFAOYSA-N -1 3 333.347 2.338 10 30 EEEEHM O=C([C@H]1CCCC12CC2)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185377 694314758 /nfs/dbraw/zinc/31/47/58/694314758.db2.gz ACTQHQKVBLEZJR-OAHLLOKOSA-N -1 3 342.395 2.471 10 30 EEEEHM C=CCC1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OCC)CCCC1 ZINC001670384119 1176761046 /nfs/dbraw/zinc/76/10/46/1176761046.db2.gz YHUDGMUWIDJOQF-UHFFFAOYSA-N -1 3 341.433 2.062 10 30 EEEEHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000119597559 1197811521 /nfs/dbraw/zinc/81/15/21/1197811521.db2.gz HVMNKNCUKZFTHL-AWEZNQCLSA-N -1 3 341.392 2.345 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)C(=O)OCC ZINC000882644462 1201912723 /nfs/dbraw/zinc/91/27/23/1201912723.db2.gz GQSOGFHYYJDGJP-NEPJUHHUSA-N -1 3 339.404 2.239 10 30 EEEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000882848082 1201956457 /nfs/dbraw/zinc/95/64/57/1201956457.db2.gz YXWFJKXRFAVZSN-GFCCVEGCSA-N -1 3 327.377 2.486 10 30 EEEEHM CO[C@]12CCC[C@@]1([N-]C(=O)C(F)(F)c1ccccc1C#N)CCO2 ZINC000928059486 1206332670 /nfs/dbraw/zinc/33/26/70/1206332670.db2.gz AZMIVZHHSRUVHZ-CVEARBPZSA-N -1 3 336.338 2.452 10 30 EEEEHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccnn1C1CCC1 ZINC000901173144 1235317002 /nfs/dbraw/zinc/31/70/02/1235317002.db2.gz QRFGWSMAWXXQJT-UHFFFAOYSA-N -1 3 332.429 2.452 10 30 EEEEHM C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001487526993 1285953437 /nfs/dbraw/zinc/95/34/37/1285953437.db2.gz LWPVFWXVUPCWRS-GFCCVEGCSA-N -1 3 348.447 2.108 10 30 EEEEHM C#C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCOCC1 ZINC000862219704 1295754164 /nfs/dbraw/zinc/75/41/64/1295754164.db2.gz OESLUXBZTJPRTO-AWEZNQCLSA-N -1 3 338.201 2.313 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCSC[C@@H]1C ZINC001122490491 1310309087 /nfs/dbraw/zinc/30/90/87/1310309087.db2.gz LPASPWKZZNUIPB-VIFPVBQESA-N -1 3 339.856 2.234 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCSC[C@@H]1C ZINC001122490491 1310309095 /nfs/dbraw/zinc/30/90/95/1310309095.db2.gz LPASPWKZZNUIPB-VIFPVBQESA-N -1 3 339.856 2.234 10 30 EEEEHM Cc1ncc(CO)c(/C=N\[C@H]2CCN(c3ccc(F)cc3)C2)c1[O-] ZINC000840714003 1315401919 /nfs/dbraw/zinc/40/19/19/1315401919.db2.gz WOERRNHFHHTHAD-HBYKXQRASA-N -1 3 329.375 2.425 10 30 EEEEHM CC(C)CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccncc1 ZINC000842528348 1315720830 /nfs/dbraw/zinc/72/08/30/1315720830.db2.gz WCOQIOUZDFXPEF-UHFFFAOYSA-N -1 3 325.376 2.326 10 30 EEEEHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001287879416 1327555502 /nfs/dbraw/zinc/55/55/02/1327555502.db2.gz DHSQHAUKJGYMRS-OCCSQVGLSA-N -1 3 341.415 2.033 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N[C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001297403754 1329969085 /nfs/dbraw/zinc/96/90/85/1329969085.db2.gz BARYEBONKSPWAH-CHWSQXEVSA-N -1 3 343.431 2.185 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001298425974 1330076772 /nfs/dbraw/zinc/07/67/72/1330076772.db2.gz MBTOVDZFLQGKHH-ZDUSSCGKSA-N -1 3 347.758 2.247 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccc(C)o1 ZINC001339068133 1336953177 /nfs/dbraw/zinc/95/31/77/1336953177.db2.gz GYWKBKHBRILAII-UHFFFAOYSA-N -1 3 340.387 2.473 10 30 EEEEHM C#C[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC(C)C)C1 ZINC001344519677 1337399213 /nfs/dbraw/zinc/39/92/13/1337399213.db2.gz NZCNBYNEGYDHMS-NSHDSACASA-N -1 3 333.827 2.222 10 30 EEEEHM C#C[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC(C)C)C1 ZINC001344519677 1337399215 /nfs/dbraw/zinc/39/92/15/1337399215.db2.gz NZCNBYNEGYDHMS-NSHDSACASA-N -1 3 333.827 2.222 10 30 EEEEHM C=CCC1(O)CCN(C(=O)c2cc(NC(=O)C=C)ccc2[O-])CC1 ZINC001350537870 1337722403 /nfs/dbraw/zinc/72/24/03/1337722403.db2.gz DQRDEWWVUSMEIZ-UHFFFAOYSA-N -1 3 330.384 2.060 10 30 EEEEHM C[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1CNC(=O)C#CC1CC1 ZINC001357072053 1338946391 /nfs/dbraw/zinc/94/63/91/1338946391.db2.gz ZTZACVBTLUPXOP-WMLDXEAASA-N -1 3 340.423 2.163 10 30 EEEEHM Cc1ccc(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)o1 ZINC001611648626 1352303175 /nfs/dbraw/zinc/30/31/75/1352303175.db2.gz CWJRERTYUHEFRD-UHFFFAOYSA-N -1 3 328.324 2.106 10 30 EEEEHM C#CCOc1ccccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001676479726 1357155582 /nfs/dbraw/zinc/15/55/82/1357155582.db2.gz CDJKRIUQBQNMBI-UHFFFAOYSA-N -1 3 348.366 2.447 10 30 EEEEHM C#CCOc1ccccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001676479726 1357155584 /nfs/dbraw/zinc/15/55/84/1357155584.db2.gz CDJKRIUQBQNMBI-UHFFFAOYSA-N -1 3 348.366 2.447 10 30 EEEEHM C=C(C)[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-])OCC ZINC001678084582 1357463129 /nfs/dbraw/zinc/46/31/29/1357463129.db2.gz KNVTUQKCQCZEQU-YOEHRIQHSA-N -1 3 348.443 2.340 10 30 EEEEHM O=C(CCOc1cc(Cl)cc(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC001628548439 1352537146 /nfs/dbraw/zinc/53/71/46/1352537146.db2.gz YNFHVVZITAUECJ-LBPRGKRZSA-N -1 3 347.198 2.259 10 30 EEEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC000921318171 773263279 /nfs/dbraw/zinc/26/32/79/773263279.db2.gz QOLWFIBPJRAHET-JSGCOSHPSA-N -1 3 326.393 2.317 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OC ZINC000921384346 773320181 /nfs/dbraw/zinc/32/01/81/773320181.db2.gz NEQQWUBTBZKGOI-CQSZACIVSA-N -1 3 329.393 2.143 10 30 EEEEHM O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N[C@H]1CCN([O-])C1=O ZINC000816696690 784202123 /nfs/dbraw/zinc/20/21/23/784202123.db2.gz DXKQMRBIZFJEBD-HUYFXPKMSA-N -1 3 348.708 2.392 10 30 EEEEHM C=CCN1CCC(NC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)CC1 ZINC000908946493 785869718 /nfs/dbraw/zinc/86/97/18/785869718.db2.gz SFXWDXCMGHJBSG-GOSISDBHSA-N -1 3 337.464 2.360 10 30 EEEEHM C#CCN(C)CCCNC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000909038004 785945077 /nfs/dbraw/zinc/94/50/77/785945077.db2.gz RACDGCDXNQNUAF-IRXDYDNUSA-N -1 3 349.475 2.007 10 30 EEEEHM COc1ncc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)s1 ZINC000917193618 798137228 /nfs/dbraw/zinc/13/72/28/798137228.db2.gz JLQYVMSPVIIPDU-UHFFFAOYSA-N -1 3 337.426 2.237 10 30 EEEEHM CCc1onc(C)c1C[N-]S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000922033446 798726966 /nfs/dbraw/zinc/72/69/66/798726966.db2.gz VLZDHBBQRIHMJB-UHFFFAOYSA-N -1 3 337.376 2.343 10 30 EEEEHM CC1(C)CCCC[C@@H]1CC(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001565992225 1125488242 /nfs/dbraw/zinc/48/82/42/1125488242.db2.gz FLSCJVHLFVQBPB-CYBMUJFWSA-N -1 3 345.447 2.018 10 30 EEEEHM Cn1cc(C#N)c([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001457179332 1109507946 /nfs/dbraw/zinc/50/79/46/1109507946.db2.gz RQNQUGVPSUUCNK-UHFFFAOYSA-N -1 3 339.233 2.471 10 30 EEEEHM C=CCOCCCC(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001506394340 1114594445 /nfs/dbraw/zinc/59/44/45/1114594445.db2.gz GYQRNKPSKOWPSY-LJQANCHMSA-N -1 3 346.427 2.096 10 30 EEEEHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@@H]1C ZINC001511195053 1117995682 /nfs/dbraw/zinc/99/56/82/1117995682.db2.gz APMLSHFPUROLRA-JSGCOSHPSA-N -1 3 341.415 2.033 10 30 EEEEHM C#C[C@@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC(=C)C ZINC001515001794 1118926123 /nfs/dbraw/zinc/92/61/23/1118926123.db2.gz FSDLYGLLMZRGEE-CQSZACIVSA-N -1 3 338.415 2.317 10 30 EEEEHM C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001536620770 1123746567 /nfs/dbraw/zinc/74/65/67/1123746567.db2.gz IWXQAMQYTCSZTB-PBHICJAKSA-N -1 3 340.423 2.115 10 30 EEEEHM Cc1ncc(CO)c(C=NNc2ccc(C(F)(F)F)cn2)c1[O-] ZINC000005119816 210393371 /nfs/dbraw/zinc/39/33/71/210393371.db2.gz QXPIWPPRIKEQDC-CGOBSMCZSA-N -1 3 326.278 2.448 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2OC)cs1 ZINC000185609410 160043263 /nfs/dbraw/zinc/04/32/63/160043263.db2.gz HEODKZSEGQEYRB-UHFFFAOYSA-N -1 3 337.426 2.064 10 30 EEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000344316526 161216851 /nfs/dbraw/zinc/21/68/51/161216851.db2.gz DTSFRHSOCGJOOT-UHFFFAOYSA-N -1 3 341.314 2.451 10 30 EEEEHM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nnc2n1CCCCC2 ZINC000115906263 462734062 /nfs/dbraw/zinc/73/40/62/462734062.db2.gz OKBUJCVSOUUGCE-HNNXBMFYSA-N -1 3 347.382 2.075 10 30 EEEEHM CCc1nc(C2([N-]S(=O)(=O)CCCCC#N)CCCC2)no1 ZINC000177606938 463748926 /nfs/dbraw/zinc/74/89/26/463748926.db2.gz OJFVNQMVJZVGIT-UHFFFAOYSA-N -1 3 326.422 2.015 10 30 EEEEHM N#Cc1ccc(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)cc1[O-] ZINC000188801848 464372814 /nfs/dbraw/zinc/37/28/14/464372814.db2.gz OGBDTTBIVUXNBD-UHFFFAOYSA-N -1 3 333.351 2.021 10 30 EEEEHM COC(=O)c1coc(C(=O)[N-]c2ncccc2OCCCC#N)c1 ZINC000273689241 464724755 /nfs/dbraw/zinc/72/47/55/464724755.db2.gz LQAGHVSMROWUJF-UHFFFAOYSA-N -1 3 329.312 2.396 10 30 EEEEHM Cn1cc(C[N-]c2nnc(C(F)(F)F)o2)c(-c2ccc(C#N)cc2)n1 ZINC000370478617 466894477 /nfs/dbraw/zinc/89/44/77/466894477.db2.gz VLHILBBSZRCGNK-UHFFFAOYSA-N -1 3 348.288 2.973 10 30 EEEEHM CC1(C)Cc2ccc(C(=O)NC[C@H]3CCCN(CC#N)C3)c([O-])c2O1 ZINC000531355620 468046889 /nfs/dbraw/zinc/04/68/89/468046889.db2.gz GMJNZUQGEDUUTF-CYBMUJFWSA-N -1 3 343.427 2.071 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)CCC1 ZINC000589224371 468135117 /nfs/dbraw/zinc/13/51/17/468135117.db2.gz VNCFGLUQZDZJET-UHFFFAOYSA-N -1 3 336.310 2.356 10 30 EEEEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccccc1F ZINC000582550905 468557062 /nfs/dbraw/zinc/55/70/62/468557062.db2.gz GDPXDFAYOMZEJC-SMDDNHRTSA-N -1 3 328.409 2.107 10 30 EEEEHM C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000594487627 468606241 /nfs/dbraw/zinc/60/62/41/468606241.db2.gz NUIUJZFNDORUMH-ZFWWWQNUSA-N -1 3 348.428 2.027 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000598213950 468795089 /nfs/dbraw/zinc/79/50/89/468795089.db2.gz RCCHFCRFBDQWFG-FZMZJTMJSA-N -1 3 331.416 2.282 10 30 EEEEHM N#CC1(CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCOCC1 ZINC000598688391 468959201 /nfs/dbraw/zinc/95/92/01/468959201.db2.gz VMOAVCJRRLBNKL-UHFFFAOYSA-N -1 3 347.325 2.399 10 30 EEEEHM N#CC1(CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCOCC1 ZINC000598688391 468959204 /nfs/dbraw/zinc/95/92/04/468959204.db2.gz VMOAVCJRRLBNKL-UHFFFAOYSA-N -1 3 347.325 2.399 10 30 EEEEHM N#CC1(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCOCC1 ZINC000598688391 468959206 /nfs/dbraw/zinc/95/92/06/468959206.db2.gz VMOAVCJRRLBNKL-UHFFFAOYSA-N -1 3 347.325 2.399 10 30 EEEEHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593539095 469025019 /nfs/dbraw/zinc/02/50/19/469025019.db2.gz AXBWSQJZPXSVFD-JTQLQIEISA-N -1 3 334.401 2.219 10 30 EEEEHM C=CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000593607117 469056255 /nfs/dbraw/zinc/05/62/55/469056255.db2.gz FSBLNHDPXLMSOR-UHFFFAOYSA-N -1 3 325.390 2.405 10 30 EEEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1(CO)CC=CC1 ZINC000593612919 469058788 /nfs/dbraw/zinc/05/87/88/469058788.db2.gz JOSOWNAFVBABFT-AWEZNQCLSA-N -1 3 340.470 2.251 10 30 EEEEHM C=CCC[C@H](C(=O)NCc1nnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000603013606 469221363 /nfs/dbraw/zinc/22/13/63/469221363.db2.gz DCBQQTPLBMZWBS-AWEZNQCLSA-N -1 3 342.399 2.348 10 30 EEEEHM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000603151317 469285406 /nfs/dbraw/zinc/28/54/06/469285406.db2.gz PQYWPHFMDLUOEC-OAHLLOKOSA-N -1 3 340.358 2.149 10 30 EEEEHM C=CCCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000633963626 470652680 /nfs/dbraw/zinc/65/26/80/470652680.db2.gz NDKAAKXBQXDIHY-UHFFFAOYSA-N -1 3 330.475 2.135 10 30 EEEEHM C#Cc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cn1 ZINC000728819316 576533687 /nfs/dbraw/zinc/53/36/87/576533687.db2.gz YRMHDQNNJNSXOZ-UHFFFAOYSA-N -1 3 330.347 2.374 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccccc3)C2=O)c1[O-] ZINC000733903644 577263382 /nfs/dbraw/zinc/26/33/82/577263382.db2.gz NPBJWTPKIMETIZ-RYFGYPJOSA-N -1 3 339.395 2.202 10 30 EEEEHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)CC2(C#N)CCCC2)c(C)o1 ZINC000759041860 577636029 /nfs/dbraw/zinc/63/60/29/577636029.db2.gz SYNGKZBBGXXEMA-OAHLLOKOSA-N -1 3 340.445 2.107 10 30 EEEEHM Cc1ncc(CO)c(/C=N\CC[C@H]2COc3ccccc3O2)c1[O-] ZINC000764413324 577735537 /nfs/dbraw/zinc/73/55/37/577735537.db2.gz IAHFNINGLNPQHK-GPMKDSKKSA-N -1 3 328.368 2.237 10 30 EEEEHM CCOC(=O)[C@H](COC)/N=C\c1cc(Br)ccc1[O-] ZINC000905002500 694498752 /nfs/dbraw/zinc/49/87/52/694498752.db2.gz IQRJGMGWXNLFNM-URXIRXLPSA-N -1 3 330.178 2.152 10 30 EEEEHM C#CCCCS(=O)(=O)[N-][C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 ZINC000882538666 1201891722 /nfs/dbraw/zinc/89/17/22/1201891722.db2.gz IDQKCVXDPGQZSW-HZPDHXFCSA-N -1 3 337.441 2.212 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1ccc(F)cc1)C(=O)OCC ZINC000882644875 1201912521 /nfs/dbraw/zinc/91/25/21/1201912521.db2.gz FRRBCDKIADSMSN-OAHLLOKOSA-N -1 3 343.420 2.186 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OCC ZINC000882645143 1201913232 /nfs/dbraw/zinc/91/32/32/1201913232.db2.gz WEOPDYSIRHIQBA-HNNXBMFYSA-N -1 3 341.429 2.013 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@H]2CCC)n1 ZINC001489076656 1290360707 /nfs/dbraw/zinc/36/07/07/1290360707.db2.gz PDAHOZCFKOQUBI-GDBMZVCRSA-N -1 3 344.459 2.128 10 30 EEEEHM C=C(Cl)CN(CC)CCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001490349245 1291170506 /nfs/dbraw/zinc/17/05/06/1291170506.db2.gz RPWDWUWKYFDVMW-UHFFFAOYSA-N -1 3 338.839 2.254 10 30 EEEEHM C=CC[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000860904244 1295166623 /nfs/dbraw/zinc/16/66/23/1295166623.db2.gz QBOMLAOPLIPZEQ-NEPJUHHUSA-N -1 3 336.413 2.012 10 30 EEEEHM N#CCNCc1cc(=O)[n-]c(CNC(=O)CCC2CCCCCC2)n1 ZINC001264026752 1322587369 /nfs/dbraw/zinc/58/73/69/1322587369.db2.gz JHTKEKWWCCVZAS-UHFFFAOYSA-N -1 3 345.447 2.162 10 30 EEEEHM N#CCNC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC001264038135 1322594821 /nfs/dbraw/zinc/59/48/21/1322594821.db2.gz FKXIXLMPPIIJLN-AAEUAGOBSA-N -1 3 341.333 2.146 10 30 EEEEHM C=CCCC(=O)NCc1nc(CNCc2csc(C)c2)cc(=O)[n-]1 ZINC001264580109 1322737538 /nfs/dbraw/zinc/73/75/38/1322737538.db2.gz LWZZWVOQZNOUKX-UHFFFAOYSA-N -1 3 346.456 2.424 10 30 EEEEHM C=C1CC(C)(C(=O)NCC2CC(NC(=O)c3ccccc3[O-])C2)C1 ZINC001279939563 1324034733 /nfs/dbraw/zinc/03/47/33/1324034733.db2.gz UDTBKDSHCZRTMV-UHFFFAOYSA-N -1 3 328.412 2.373 10 30 EEEEHM C[C@@H]1C[C@H](NC(=O)C#CC(C)(C)C)CN1C(=O)c1ccccc1[O-] ZINC001281160820 1324808546 /nfs/dbraw/zinc/80/85/46/1324808546.db2.gz VTNKTTOPJNKWMD-KGLIPLIRSA-N -1 3 328.412 2.161 10 30 EEEEHM CC(C)C#CC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001281189790 1324847484 /nfs/dbraw/zinc/84/74/84/1324847484.db2.gz VVLLWKATKAFPMP-YLJYHZDGSA-N -1 3 340.423 2.305 10 30 EEEEHM C=CC[C@H]1N(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)CCCC1(C)C ZINC001210458238 1325293011 /nfs/dbraw/zinc/29/30/11/1325293011.db2.gz KWIARABQSJLQFQ-GFCCVEGCSA-N -1 3 346.435 2.296 10 30 EEEEHM C=CC(C)(C)C(=O)NCc1nc(CNC(=O)[C@H](C)CCC)cc(=O)[n-]1 ZINC001282234290 1325659573 /nfs/dbraw/zinc/65/95/73/1325659573.db2.gz PCFNDFLRJXRTGC-GFCCVEGCSA-N -1 3 348.447 2.063 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccnc1Nc1ccccc1F ZINC001298541218 1330098595 /nfs/dbraw/zinc/09/85/95/1330098595.db2.gz CTJRELAJMKKRAC-CQSZACIVSA-N -1 3 344.346 2.074 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2(C)CC2)ccc1F ZINC001336199287 1336499077 /nfs/dbraw/zinc/49/90/77/1336499077.db2.gz KGISSNOKQCWTAW-LLVKDONJSA-N -1 3 340.420 2.208 10 30 EEEEHM C=C[C@H](CC)CC(=O)N(C)CCN(C(=O)c1cnc[n-]c1=O)C(C)C ZINC001338761773 1336904891 /nfs/dbraw/zinc/90/48/91/1336904891.db2.gz RECNRVVEJFHKSA-CQSZACIVSA-N -1 3 348.447 2.094 10 30 EEEEHM C#CCCCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339739125 1337064646 /nfs/dbraw/zinc/06/46/46/1337064646.db2.gz QCWUSTQWXPZDBS-HZPDHXFCSA-N -1 3 342.439 2.410 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001339868742 1337087369 /nfs/dbraw/zinc/08/73/69/1337087369.db2.gz XIMGAOOTLQJELR-IUCAKERBSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001339868742 1337087371 /nfs/dbraw/zinc/08/73/71/1337087371.db2.gz XIMGAOOTLQJELR-IUCAKERBSA-N -1 3 339.856 2.233 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1CSC ZINC001339867749 1337087393 /nfs/dbraw/zinc/08/73/93/1337087393.db2.gz RHTBXSGLQUCSEM-SECBINFHSA-N -1 3 339.856 2.234 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1CSC ZINC001339867749 1337087394 /nfs/dbraw/zinc/08/73/94/1337087394.db2.gz RHTBXSGLQUCSEM-SECBINFHSA-N -1 3 339.856 2.234 10 30 EEEEHM C=C[C@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347304661 1337502812 /nfs/dbraw/zinc/50/28/12/1337502812.db2.gz LICZPPZUZBQCIF-HOTGVXAUSA-N -1 3 338.411 2.155 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCCc1ccccc1)C(=O)OCC ZINC001561875998 1342532015 /nfs/dbraw/zinc/53/20/15/1342532015.db2.gz BCDJYGHPOMJFDA-MRXNPFEDSA-N -1 3 339.457 2.437 10 30 EEEEHM CCSc1nc(C)c([C@@H](CC)C(=O)N[C@H]2CCN([O-])C2=O)s1 ZINC001628370210 1352532245 /nfs/dbraw/zinc/53/22/45/1352532245.db2.gz LELWHKBDFGDBKY-ZJUUUORDSA-N -1 3 343.474 2.163 10 30 EEEEHM N#Cc1ccnc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC001655942020 1354190810 /nfs/dbraw/zinc/19/08/10/1354190810.db2.gz AMZWFMFOERGPFE-UMSPYCQHSA-N -1 3 340.343 2.495 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OC ZINC001656973390 1354306195 /nfs/dbraw/zinc/30/61/95/1354306195.db2.gz CMNDFPKSCWEMCU-NSHDSACASA-N -1 3 347.383 2.449 10 30 EEEEHM COc1cc(CNC(=O)NCc2c([O-])cccc2F)ccc1C#N ZINC001672484395 1356532011 /nfs/dbraw/zinc/53/20/11/1356532011.db2.gz GWIXAYBTQBONGI-UHFFFAOYSA-N -1 3 329.331 2.411 10 30 EEEEHM CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001681468882 1358007485 /nfs/dbraw/zinc/00/74/85/1358007485.db2.gz VKXFIRRWLUPQSL-HUUCEWRRSA-N -1 3 328.412 2.161 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccncc1C#N ZINC000828652667 787039675 /nfs/dbraw/zinc/03/96/75/787039675.db2.gz DBYGWNXJIGHRSI-UHFFFAOYSA-N -1 3 336.351 2.218 10 30 EEEEHM COc1c(C)cnc(C[N-]S(=O)(=O)c2ccsc2C#N)c1C ZINC000845837719 789964843 /nfs/dbraw/zinc/96/48/43/789964843.db2.gz JELAIEKVGSCULA-UHFFFAOYSA-N -1 3 337.426 2.119 10 30 EEEEHM C#CCCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000845986032 790012748 /nfs/dbraw/zinc/01/27/48/790012748.db2.gz PEHZLFKJJVHWGS-UHFFFAOYSA-N -1 3 329.462 2.364 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001475430570 1110612338 /nfs/dbraw/zinc/61/23/38/1110612338.db2.gz WWIRFZKXFZWHPP-CQSZACIVSA-N -1 3 346.364 2.256 10 30 EEEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(Cc2ccon2)CC1 ZINC001500028513 1112584407 /nfs/dbraw/zinc/58/44/07/1112584407.db2.gz NBVPJPBDZPIDKL-UHFFFAOYSA-N -1 3 339.395 2.120 10 30 EEEEHM C#CCCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001511143440 1117964649 /nfs/dbraw/zinc/96/46/49/1117964649.db2.gz KUKJPKPMNAINDL-GDBMZVCRSA-N -1 3 328.412 2.305 10 30 EEEEHM CC(C)C#CC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001533050534 1123046331 /nfs/dbraw/zinc/04/63/31/1123046331.db2.gz KTFJKPCUPUHMIG-DOTOQJQBSA-N -1 3 340.423 2.115 10 30 EEEEHM Cc1ccnc2nc(C(=O)[N-]c3nc4c(cc3C#N)C[C@@H](C)CC4)nn21 ZINC001540205488 1124077567 /nfs/dbraw/zinc/07/75/67/1124077567.db2.gz FLTINOKVZSAFQC-JTQLQIEISA-N -1 3 347.382 2.077 10 30 EEEEHM COCc1nc([N-]C(=O)c2sccc2C#N)sc1C(=O)OC ZINC000341837570 161017460 /nfs/dbraw/zinc/01/74/60/161017460.db2.gz ISQBDJFSLYNNHE-UHFFFAOYSA-N -1 3 337.382 2.262 10 30 EEEEHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000352564757 162191033 /nfs/dbraw/zinc/19/10/33/162191033.db2.gz HZROHHGKSDJPIC-UHFFFAOYSA-N -1 3 342.833 2.104 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)c3cccc4nn[n-]c43)CCOCC2)cc1 ZINC000530060071 268210406 /nfs/dbraw/zinc/21/04/06/268210406.db2.gz GOFAILUFCHMGDD-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)c3cccc4[n-]nnc43)CCOCC2)cc1 ZINC000530060071 268210407 /nfs/dbraw/zinc/21/04/07/268210407.db2.gz GOFAILUFCHMGDD-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM N#Cc1ccc(C2(NC(=O)c3cccc4n[n-]nc43)CCOCC2)cc1 ZINC000530060071 268210410 /nfs/dbraw/zinc/21/04/10/268210410.db2.gz GOFAILUFCHMGDD-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM CSc1[n-]c(=O)c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1C#N ZINC000341401661 465147672 /nfs/dbraw/zinc/14/76/72/465147672.db2.gz CXFNFXOFNOXBHQ-TXEJJXNPSA-N -1 3 348.472 2.373 10 30 EEEEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000330784362 465803141 /nfs/dbraw/zinc/80/31/41/465803141.db2.gz RTSIJJIVVYGVSF-UHFFFAOYSA-N -1 3 340.792 2.117 10 30 EEEEHM C=CCN1C(=O)c2ccc(C(=O)Nc3nc(C)ccc3[O-])cc2C1=O ZINC000345941715 465916641 /nfs/dbraw/zinc/91/66/41/465916641.db2.gz PEJAPPLCZRIIEZ-UHFFFAOYSA-N -1 3 337.335 2.130 10 30 EEEEHM N#Cc1ccnc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000357339156 465960449 /nfs/dbraw/zinc/96/04/49/465960449.db2.gz RNNQBFLERDSAFD-UHFFFAOYSA-N -1 3 330.307 2.737 10 30 EEEEHM N#Cc1ccnc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c1 ZINC000357339156 465960455 /nfs/dbraw/zinc/96/04/55/465960455.db2.gz RNNQBFLERDSAFD-UHFFFAOYSA-N -1 3 330.307 2.737 10 30 EEEEHM N#Cc1ccnc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000357339156 465960465 /nfs/dbraw/zinc/96/04/65/465960465.db2.gz RNNQBFLERDSAFD-UHFFFAOYSA-N -1 3 330.307 2.737 10 30 EEEEHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000357474478 466065150 /nfs/dbraw/zinc/06/51/50/466065150.db2.gz LMTDWBXHRLJWKG-AWEZNQCLSA-N -1 3 344.383 2.266 10 30 EEEEHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000349991315 466342175 /nfs/dbraw/zinc/34/21/75/466342175.db2.gz LIGDSEOYMSTZND-QWRGUYRKSA-N -1 3 348.346 2.423 10 30 EEEEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416481476 466736757 /nfs/dbraw/zinc/73/67/57/466736757.db2.gz BXIAKDVCOIGEJE-BDAKNGLRSA-N -1 3 347.234 2.022 10 30 EEEEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)Cc2ccc(CC#N)cc2)s1 ZINC000576276323 468163226 /nfs/dbraw/zinc/16/32/26/468163226.db2.gz FOICVSOIUYNDPZ-JTQLQIEISA-N -1 3 336.442 2.093 10 30 EEEEHM N#CC(=C([O-])c1ccnc2ccncc21)c1nnc2n1CCCCC2 ZINC000551179614 468234216 /nfs/dbraw/zinc/23/42/16/468234216.db2.gz GZWBFJITIUFCGQ-ZDUSSCGKSA-N -1 3 332.367 2.438 10 30 EEEEHM Cc1cccc2cc(S(=O)(=O)[N-]C3CCN(CC#N)CC3)sc21 ZINC000592027568 468600797 /nfs/dbraw/zinc/60/07/97/468600797.db2.gz MWBKWBLIYKHVQK-UHFFFAOYSA-N -1 3 349.481 2.476 10 30 EEEEHM C=CCCSCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000597968951 468728938 /nfs/dbraw/zinc/72/89/38/468728938.db2.gz RPPKFZBMAXYFHM-HNNXBMFYSA-N -1 3 348.468 2.422 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OC ZINC000601503173 468897747 /nfs/dbraw/zinc/89/77/47/468897747.db2.gz ZEJUXVDOYGNBCQ-NSHDSACASA-N -1 3 335.784 2.265 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601514252 468903074 /nfs/dbraw/zinc/90/30/74/468903074.db2.gz INVAQJPAGKJJLW-GOEBONIOSA-N -1 3 338.404 2.323 10 30 EEEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H](CO)C(C)C ZINC000593600168 469053399 /nfs/dbraw/zinc/05/33/99/469053399.db2.gz AOCBXBTXLNIAEA-SMDDNHRTSA-N -1 3 330.475 2.187 10 30 EEEEHM C=CCCCCCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000564586900 469255019 /nfs/dbraw/zinc/25/50/19/469255019.db2.gz YVABQBMPSOEKSJ-OAHLLOKOSA-N -1 3 344.415 2.305 10 30 EEEEHM CC(N=Nc1n[n-]c(SCC(N)=O)n1)C12CC3CC(CC(C3)C1)C2 ZINC000020159842 518466930 /nfs/dbraw/zinc/46/69/30/518466930.db2.gz PVIJCHBTZMBUMF-DJKKODMXSA-N -1 3 348.476 2.386 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894729141 683055353 /nfs/dbraw/zinc/05/53/53/683055353.db2.gz VAQZRFADYZPAQF-PBHICJAKSA-N -1 3 343.427 2.236 10 30 EEEEHM C=CCOc1ccccc1CN[C@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC000895235365 684334645 /nfs/dbraw/zinc/33/46/45/684334645.db2.gz HSSOGUVHOVPKNF-GFCCVEGCSA-N -1 3 330.388 2.397 10 30 EEEEHM C=CCOc1ccccc1CN[C@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC000895235365 684334650 /nfs/dbraw/zinc/33/46/50/684334650.db2.gz HSSOGUVHOVPKNF-GFCCVEGCSA-N -1 3 330.388 2.397 10 30 EEEEHM C=CCOc1ccccc1CN[C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895235365 684334653 /nfs/dbraw/zinc/33/46/53/684334653.db2.gz HSSOGUVHOVPKNF-GFCCVEGCSA-N -1 3 330.388 2.397 10 30 EEEEHM C=CCOc1cccc(CN[C@@H](C)c2n[n-]c(C(=O)OCC)n2)c1 ZINC000895237151 684347830 /nfs/dbraw/zinc/34/78/30/684347830.db2.gz RGEKJVVFRPEMFB-LBPRGKRZSA-N -1 3 330.388 2.397 10 30 EEEEHM C=CCOc1cccc(CN[C@@H](C)c2nnc(C(=O)OCC)[n-]2)c1 ZINC000895237151 684347835 /nfs/dbraw/zinc/34/78/35/684347835.db2.gz RGEKJVVFRPEMFB-LBPRGKRZSA-N -1 3 330.388 2.397 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000904213678 694333983 /nfs/dbraw/zinc/33/39/83/694333983.db2.gz WYRPWGMEWOGILD-DZGCQCFKSA-N -1 3 336.436 2.126 10 30 EEEEHM CC#CCN1CC[C@H](N(CCC)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001267547236 1179331177 /nfs/dbraw/zinc/33/11/77/1179331177.db2.gz KCHPTRMTEXUEBY-HNNXBMFYSA-N -1 3 342.443 2.009 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)N(CCCNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001745603473 1182211397 /nfs/dbraw/zinc/21/13/97/1182211397.db2.gz WCMBEGPYDNTRNQ-CQSZACIVSA-N -1 3 348.447 2.141 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001483678222 1190737928 /nfs/dbraw/zinc/73/79/28/1190737928.db2.gz PXPNFPZYAWQHBY-HNAYVOBHSA-N -1 3 344.459 2.352 10 30 EEEEHM C#CCn1ccc(CN(CC)Cc2nnc(-c3ccccc3[O-])o2)n1 ZINC000878527270 1200521577 /nfs/dbraw/zinc/52/15/77/1200521577.db2.gz BMKXKIWIKYXQNJ-UHFFFAOYSA-N -1 3 337.383 2.294 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c[nH]c(C(C)C)n1 ZINC001412708566 1205839269 /nfs/dbraw/zinc/83/92/69/1205839269.db2.gz QDLXTZHLLCCHHF-UHFFFAOYSA-N -1 3 341.415 2.371 10 30 EEEEHM C[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001413701626 1254374176 /nfs/dbraw/zinc/37/41/76/1254374176.db2.gz GKIUWUMMHWXBQB-LURJTMIESA-N -1 3 327.241 2.325 10 30 EEEEHM C[C@@H](CNC(=O)c1ccccc1[O-])NCc1cc(F)ccc1C#N ZINC001491398205 1259040484 /nfs/dbraw/zinc/04/04/84/1259040484.db2.gz WLANCJSTQTVLMP-LBPRGKRZSA-N -1 3 327.359 2.311 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1OC(F)(F)F ZINC000861826972 1295554989 /nfs/dbraw/zinc/55/49/89/1295554989.db2.gz CCFBPUWGDTUBNN-SNVBAGLBSA-N -1 3 332.278 2.004 10 30 EEEEHM C#C[C@@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001123424516 1310564433 /nfs/dbraw/zinc/56/44/33/1310564433.db2.gz PHNXVFMJJOBXOM-CQSZACIVSA-N -1 3 338.415 2.151 10 30 EEEEHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc2n(n1)CCCC2 ZINC000842527896 1315720744 /nfs/dbraw/zinc/72/07/44/1315720744.db2.gz QLDJBSFGYGBIOG-UHFFFAOYSA-N -1 3 346.456 2.106 10 30 EEEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC2(CCO2)CC1 ZINC001263288235 1322452707 /nfs/dbraw/zinc/45/27/07/1322452707.db2.gz KYEWWUNAEPQFHI-UHFFFAOYSA-N -1 3 349.826 2.052 10 30 EEEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC2(CCO2)CC1 ZINC001263288235 1322452710 /nfs/dbraw/zinc/45/27/10/1322452710.db2.gz KYEWWUNAEPQFHI-UHFFFAOYSA-N -1 3 349.826 2.052 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2CSC[C@]2(C)C1 ZINC001263323246 1322460877 /nfs/dbraw/zinc/46/08/77/1322460877.db2.gz KJTJUDVUVGTXMJ-BZNIZROVSA-N -1 3 347.444 2.404 10 30 EEEEHM C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001264367486 1322676004 /nfs/dbraw/zinc/67/60/04/1322676004.db2.gz ZLPAAOCHPKOUDX-OAHLLOKOSA-N -1 3 344.459 2.305 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001281313281 1324956946 /nfs/dbraw/zinc/95/69/46/1324956946.db2.gz XRHKRHCXGCAFJQ-TZMCWYRMSA-N -1 3 348.447 2.045 10 30 EEEEHM CC(C)(C)C#CC(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001288370340 1327733956 /nfs/dbraw/zinc/73/39/56/1327733956.db2.gz WDXGXVHUHUPHFI-UHFFFAOYSA-N -1 3 340.423 2.330 10 30 EEEEHM CC(C)[C@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001297945914 1330019760 /nfs/dbraw/zinc/01/97/60/1330019760.db2.gz KHWNHITWDGTKTO-HNNXBMFYSA-N -1 3 330.428 2.312 10 30 EEEEHM C#CCCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298114736 1330036882 /nfs/dbraw/zinc/03/68/82/1330036882.db2.gz ZAJAPGDYZLHCKY-ZBFHGGJFSA-N -1 3 328.412 2.210 10 30 EEEEHM CC[C@H](CC1CCCC1)C(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001316716027 1331822203 /nfs/dbraw/zinc/82/22/03/1331822203.db2.gz PICIFDVAIXLYRU-CQSZACIVSA-N -1 3 345.447 2.018 10 30 EEEEHM C#CC[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001337298326 1336678953 /nfs/dbraw/zinc/67/89/53/1336678953.db2.gz GDUSWROYKOTDQB-LLVKDONJSA-N -1 3 340.832 2.197 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1 ZINC001611657973 1352303122 /nfs/dbraw/zinc/30/31/22/1352303122.db2.gz PAYMHXODZVWKOI-OAHLLOKOSA-N -1 3 333.388 2.202 10 30 EEEEHM O=C(c1sccc1F)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001651221164 1354044915 /nfs/dbraw/zinc/04/49/15/1354044915.db2.gz PWWLGZJJSPGYDV-UHFFFAOYSA-N -1 3 348.355 2.405 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@H](CC)C(C)(C)C)n1 ZINC001656647056 1354256864 /nfs/dbraw/zinc/25/68/64/1354256864.db2.gz RLTUTYGCKMUZHE-AWEZNQCLSA-N -1 3 346.475 2.374 10 30 EEEEHM C=CCCCC(=O)N(C)CCN(C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001680967023 1357935465 /nfs/dbraw/zinc/93/54/65/1357935465.db2.gz HAQIFROTFRUSRA-UHFFFAOYSA-N -1 3 348.447 2.156 10 30 EEEEHM C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001681564515 1358032062 /nfs/dbraw/zinc/03/20/62/1358032062.db2.gz KJMSCCCHVIBAHM-VXGBXAGGSA-N -1 3 348.447 2.106 10 30 EEEEHM O=C(CCCCc1nc2ccccc2s1)N[C@@H]1CCN([O-])C1=O ZINC000816693610 784200938 /nfs/dbraw/zinc/20/09/38/784200938.db2.gz ONILVWLCUMZTHY-GFCCVEGCSA-N -1 3 333.413 2.115 10 30 EEEEHM O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@@H]1CCN([O-])C1=O ZINC000816696692 784201866 /nfs/dbraw/zinc/20/18/66/784201866.db2.gz DXKQMRBIZFJEBD-ZJRUKIMVSA-N -1 3 348.708 2.392 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000820180310 785824747 /nfs/dbraw/zinc/82/47/47/785824747.db2.gz WUXHSAPQWNYEDI-AWEZNQCLSA-N -1 3 337.335 2.215 10 30 EEEEHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820185679 785827807 /nfs/dbraw/zinc/82/78/07/785827807.db2.gz PWJMEFLMYHEBEW-PRHODGIISA-N -1 3 331.199 2.278 10 30 EEEEHM COc1cccc(Nc2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC000820185308 785828528 /nfs/dbraw/zinc/82/85/28/785828528.db2.gz MMKBMRNJBUFWKE-INIZCTEOSA-N -1 3 341.367 2.159 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000909000505 785930158 /nfs/dbraw/zinc/93/01/58/785930158.db2.gz KKXJZKACZQKSJP-XIRDDKMYSA-N -1 3 345.443 2.368 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CCCCC1 ZINC000922029130 798709760 /nfs/dbraw/zinc/70/97/60/798709760.db2.gz OGYPFVQYUGRWSM-UHFFFAOYSA-N -1 3 341.458 2.106 10 30 EEEEHM C=C(C)CNC(=S)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806594097 811930472 /nfs/dbraw/zinc/93/04/72/811930472.db2.gz GMPYWBMNSXKASL-DCAQKATOSA-N -1 3 337.411 2.214 10 30 EEEEHM C=C[C@](C)(CC)C(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001565991652 1125486003 /nfs/dbraw/zinc/48/60/03/1125486003.db2.gz PGYYACRYJQJITI-MWWKQMNYSA-N -1 3 338.839 2.243 10 30 EEEEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(F)c3C#N)c2c1=O ZINC001457890076 1109810385 /nfs/dbraw/zinc/81/03/85/1109810385.db2.gz TYJUSNKUZHEEHO-UHFFFAOYSA-N -1 3 339.330 2.316 10 30 EEEEHM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001464496489 1110395638 /nfs/dbraw/zinc/39/56/38/1110395638.db2.gz MEVLFAQZBYNXPJ-NSHDSACASA-N -1 3 347.267 2.369 10 30 EEEEHM C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001512140648 1118422046 /nfs/dbraw/zinc/42/20/46/1118422046.db2.gz VNHWHIKMAIAQNR-GJZGRUSLSA-N -1 3 346.427 2.094 10 30 EEEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001520404805 1119156900 /nfs/dbraw/zinc/15/69/00/1119156900.db2.gz ZRLZGLFNQDYABQ-CQSZACIVSA-N -1 3 337.330 2.450 10 30 EEEEHM Cn1ccc(-c2cc(C(=O)[N-]c3cnc(Cl)cc3C#N)no2)n1 ZINC001524791429 1120228356 /nfs/dbraw/zinc/22/83/56/1120228356.db2.gz ZSLBUAMMJWCMGV-UHFFFAOYSA-N -1 3 328.719 2.247 10 30 EEEEHM O=C([O-])c1ccccc1/N=C1/C=CN2C(=O)c3ccccc3N[C@H]2N1 ZINC000032106860 463364895 /nfs/dbraw/zinc/36/48/95/463364895.db2.gz CIGBUTYCWCPXOL-SFHVURJKSA-N -1 3 334.335 2.383 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000161722769 463452234 /nfs/dbraw/zinc/45/22/34/463452234.db2.gz CQTRLPVJCCXITF-LJQANCHMSA-N -1 3 348.362 2.174 10 30 EEEEHM N#CCCN(CCC#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000357605552 466171548 /nfs/dbraw/zinc/17/15/48/466171548.db2.gz JLYHGNZJEASKHZ-UHFFFAOYSA-N -1 3 336.189 2.353 10 30 EEEEHM N#CC1(NC(=O)c2cncc([O-])c2)CCN(Cc2ccccc2)CC1 ZINC000367367130 466294932 /nfs/dbraw/zinc/29/49/32/466294932.db2.gz HLUQOPRVUDVTKM-UHFFFAOYSA-N -1 3 336.395 2.075 10 30 EEEEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)cc3)cn21 ZINC000569439178 468489671 /nfs/dbraw/zinc/48/96/71/468489671.db2.gz TZDIAMXBTYSHPE-GFCCVEGCSA-N -1 3 330.413 2.131 10 30 EEEEHM CC(C)n1nc(C([O-])=C(C#N)c2ccncn2)c2ccccc2c1=O ZINC000354466842 466588722 /nfs/dbraw/zinc/58/87/22/466588722.db2.gz KHPIRJBAILLIJF-CQSZACIVSA-N -1 3 333.351 2.257 10 30 EEEEHM Cc1ncsc1C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440065396 467568962 /nfs/dbraw/zinc/56/89/62/467568962.db2.gz VGVAKSNWGFQTDS-UHFFFAOYSA-N -1 3 325.390 2.082 10 30 EEEEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000528498992 467689937 /nfs/dbraw/zinc/68/99/37/467689937.db2.gz YDLBWKZKVBOFBL-IINYFYTJSA-N -1 3 326.805 2.057 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CCO)CC2)c(C(F)(F)F)c1 ZINC000494587725 468071021 /nfs/dbraw/zinc/07/10/21/468071021.db2.gz SYELMSDMLGYNNE-UHFFFAOYSA-N -1 3 348.346 2.018 10 30 EEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(C#N)n3)cc2)n1 ZINC000589759690 468182430 /nfs/dbraw/zinc/18/24/30/468182430.db2.gz YPNSPIFDILUWHI-UHFFFAOYSA-N -1 3 331.335 2.264 10 30 EEEEHM CCN(CCC#N)S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000594487110 468605666 /nfs/dbraw/zinc/60/56/66/468605666.db2.gz DPKKBXOHAMCQBN-OAHLLOKOSA-N -1 3 348.428 2.028 10 30 EEEEHM Cn1[n-]c([C@@H]2CCCN2c2ncc(C#N)c3ccsc32)nc1=N ZINC000601172057 468769983 /nfs/dbraw/zinc/76/99/83/468769983.db2.gz VNGUWMRQWZDMAT-NSHDSACASA-N -1 3 325.401 2.051 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@@H](C)COC1CCCC1)C(=O)OC ZINC000601502415 468897106 /nfs/dbraw/zinc/89/71/06/468897106.db2.gz VDZXGIPKEACBFM-DZGCQCFKSA-N -1 3 347.477 2.009 10 30 EEEEHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593524341 469016137 /nfs/dbraw/zinc/01/61/37/469016137.db2.gz FDQLXGXVDMQWOP-CYBMUJFWSA-N -1 3 335.454 2.201 10 30 EEEEHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)n[nH]1 ZINC000593586355 469047736 /nfs/dbraw/zinc/04/77/36/469047736.db2.gz SKBCMYSSXDRRSB-BDAKNGLRSA-N -1 3 339.446 2.291 10 30 EEEEHM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)[nH]1 ZINC000593586355 469047744 /nfs/dbraw/zinc/04/77/44/469047744.db2.gz SKBCMYSSXDRRSB-BDAKNGLRSA-N -1 3 339.446 2.291 10 30 EEEEHM CCN(Cc1c([O-])c(C)ncc1CO)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000599093490 469117215 /nfs/dbraw/zinc/11/72/15/469117215.db2.gz VBIYYOWFEBXNLH-UHFFFAOYSA-N -1 3 342.355 2.394 10 30 EEEEHM CCCCCCCOc1ccc(C(C)=NNC2=NC(=O)C(=O)[N-]2)cc1 ZINC000765595102 577503707 /nfs/dbraw/zinc/50/37/07/577503707.db2.gz DEVLFWRSDMHREI-UHFFFAOYSA-N -1 3 344.415 2.362 10 30 EEEEHM COC(=O)[C@H](C/N=C/c1c([O-])c(C)ncc1CO)Cc1ccccc1 ZINC000905003465 694499366 /nfs/dbraw/zinc/49/93/66/694499366.db2.gz WXRXOIYVASEQAZ-BBJIBYMTSA-N -1 3 342.395 2.039 10 30 EEEEHM CN1C[C@H](CC/N=C/c2cc(Br)ccc2[O-])CC1=O ZINC000905003589 694499412 /nfs/dbraw/zinc/49/94/12/694499412.db2.gz YMNRGDOSZLVSDL-LYQMGENXSA-N -1 3 325.206 2.442 10 30 EEEEHM C=CCC(CC=C)C(=O)N1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001299312973 1197949249 /nfs/dbraw/zinc/94/92/49/1197949249.db2.gz MVCNGAMOEUFDEE-UHFFFAOYSA-N -1 3 328.412 2.443 10 30 EEEEHM C=CCSCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000872441725 1198184734 /nfs/dbraw/zinc/18/47/34/1198184734.db2.gz LKOJDSWRBPKILK-UHFFFAOYSA-N -1 3 337.264 2.042 10 30 EEEEHM C=CCN(CC(=O)OCC)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001137616792 1199437050 /nfs/dbraw/zinc/43/70/50/1199437050.db2.gz BLSSYLJICZFHMQ-UHFFFAOYSA-N -1 3 348.786 2.373 10 30 EEEEHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866629707 1201564066 /nfs/dbraw/zinc/56/40/66/1201564066.db2.gz QQJMPBPVTZYEQU-MRXNPFEDSA-N -1 3 336.395 2.294 10 30 EEEEHM N#Cc1cccc(CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001413780112 1259244579 /nfs/dbraw/zinc/24/45/79/1259244579.db2.gz YBMHFMNQULQJTC-WKILWMFISA-N -1 3 336.395 2.439 10 30 EEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000859428131 1294436499 /nfs/dbraw/zinc/43/64/99/1294436499.db2.gz WHIGIGLBERHAPE-ZDUSSCGKSA-N -1 3 336.438 2.127 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCC ZINC001213546528 1296082648 /nfs/dbraw/zinc/08/26/48/1296082648.db2.gz MDYZRITWPQXUDJ-AWEZNQCLSA-N -1 3 329.462 2.384 10 30 EEEEHM N#Cc1cccc(O[N-]C(=O)CCc2nc(-c3ccncc3)no2)c1 ZINC001151426238 1316532013 /nfs/dbraw/zinc/53/20/13/1316532013.db2.gz WTIRHBPQXDDBGY-UHFFFAOYSA-N -1 3 335.323 2.046 10 30 EEEEHM C=CCCCC(=O)N1CCCO[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001281463671 1325130345 /nfs/dbraw/zinc/13/03/45/1325130345.db2.gz GBSCBJIUEMGZJX-OAHLLOKOSA-N -1 3 346.427 2.096 10 30 EEEEHM C=C[C@@H](CC)CC(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001288217256 1327673212 /nfs/dbraw/zinc/67/32/12/1327673212.db2.gz SSMDBXZHCONWDE-GXTWGEPZSA-N -1 3 348.447 2.045 10 30 EEEEHM C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(=C)C)C1 ZINC001355957493 1338773866 /nfs/dbraw/zinc/77/38/66/1338773866.db2.gz GUVMUDAPZMBLAX-CQSZACIVSA-N -1 3 338.415 2.175 10 30 EEEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(F)(C2CC2)CC1 ZINC001355981855 1338778387 /nfs/dbraw/zinc/77/83/87/1338778387.db2.gz SNDXEPCGVLZTSF-UHFFFAOYSA-N -1 3 344.394 2.345 10 30 EEEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)OC ZINC001561929504 1342532708 /nfs/dbraw/zinc/53/27/08/1342532708.db2.gz XHAPSJGSNYGHQW-LBPRGKRZSA-N -1 3 333.356 2.141 10 30 EEEEHM O=C(C#CC1CC1)Nc1ccc(I)cc1[O-] ZINC001633888289 1352619501 /nfs/dbraw/zinc/61/95/01/1352619501.db2.gz QLCLYWMDSHBQJY-UHFFFAOYSA-N -1 3 327.121 2.349 10 30 EEEEHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2nc[nH]c2CC)C1=O ZINC001639890895 1352702971 /nfs/dbraw/zinc/70/29/71/1352702971.db2.gz ZAQQKDCKFQRNQR-KRWDZBQOSA-N -1 3 349.435 2.288 10 30 EEEEHM O=C(Cn1nnnc1-c1ccsc1)N([O-])Cc1ccccc1Cl ZINC001651226311 1354045625 /nfs/dbraw/zinc/04/56/25/1354045625.db2.gz SYRRLCUHMRBVGG-UHFFFAOYSA-N -1 3 349.803 2.473 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000816692271 784200949 /nfs/dbraw/zinc/20/09/49/784200949.db2.gz KFAPVRSUUQABIQ-OAHLLOKOSA-N -1 3 332.306 2.352 10 30 EEEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000820186289 785829200 /nfs/dbraw/zinc/82/92/00/785829200.db2.gz XIEHKCQIRDOXJE-QGZVFWFLSA-N -1 3 341.411 2.431 10 30 EEEEHM C#CCN1CCC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000923559182 789768605 /nfs/dbraw/zinc/76/86/05/789768605.db2.gz IETCQPKKEYJWMH-ZDUSSCGKSA-N -1 3 326.318 2.238 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC001463945941 1110383907 /nfs/dbraw/zinc/38/39/07/1110383907.db2.gz NIMKHPFLQSZVSQ-OAHLLOKOSA-N -1 3 347.367 2.265 10 30 EEEEHM C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC001507276750 1115170293 /nfs/dbraw/zinc/17/02/93/1115170293.db2.gz DJRLRXGBKZIWAQ-NVXWUHKLSA-N -1 3 335.407 2.032 10 30 EEEEHM C=CCOCCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511210172 1118001575 /nfs/dbraw/zinc/00/15/75/1118001575.db2.gz CFASSLCASYHPOO-HUUCEWRRSA-N -1 3 346.427 2.094 10 30 EEEEHM N#Cc1cc(C(=O)[N-]c2nc3cc(Br)ccn3n2)co1 ZINC001526033469 1120404868 /nfs/dbraw/zinc/40/48/68/1120404868.db2.gz MWKHYRIBDSUSKR-UHFFFAOYSA-N -1 3 332.117 2.209 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000356384933 238215389 /nfs/dbraw/zinc/21/53/89/238215389.db2.gz GGYBDTSEPZWWRT-ZDUSSCGKSA-N -1 3 342.486 2.483 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CF)CCOCC2)c(Cl)c1 ZINC000451809516 243273844 /nfs/dbraw/zinc/27/38/44/243273844.db2.gz AHVANCYSNZJPBC-UHFFFAOYSA-N -1 3 346.811 2.256 10 30 EEEEHM Cc1cc(C#N)ccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000133587023 292417796 /nfs/dbraw/zinc/41/77/96/292417796.db2.gz VDXDUSQBMQGKFJ-UHFFFAOYSA-N -1 3 337.379 2.122 10 30 EEEEHM C=CCCCN(C)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000135655212 463188911 /nfs/dbraw/zinc/18/89/11/463188911.db2.gz DVSIDAPULIRURJ-UHFFFAOYSA-N -1 3 346.399 2.058 10 30 EEEEHM N#Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000151588969 463558921 /nfs/dbraw/zinc/55/89/21/463558921.db2.gz HSHHFMYWEDAZNB-UHFFFAOYSA-N -1 3 332.157 2.351 10 30 EEEEHM C=C[C@H](CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000282944568 463709377 /nfs/dbraw/zinc/70/93/77/463709377.db2.gz PYLYATXRURXEBN-UKRRQHHQSA-N -1 3 326.400 2.164 10 30 EEEEHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000356570322 465458899 /nfs/dbraw/zinc/45/88/99/465458899.db2.gz ADWBWPPESQCXIT-QGZVFWFLSA-N -1 3 336.363 2.409 10 30 EEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)n1 ZINC000176900188 464880044 /nfs/dbraw/zinc/88/00/44/464880044.db2.gz WLDNVLBGRZBRTR-UHFFFAOYSA-N -1 3 333.351 2.208 10 30 EEEEHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000282664040 464901812 /nfs/dbraw/zinc/90/18/12/464901812.db2.gz VPHYBFGPJGLLOM-UHFFFAOYSA-N -1 3 341.364 2.342 10 30 EEEEHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000295683458 464928439 /nfs/dbraw/zinc/92/84/39/464928439.db2.gz IKLJXLGBOOQDRQ-QWRGUYRKSA-N -1 3 342.392 2.204 10 30 EEEEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000330607336 465727725 /nfs/dbraw/zinc/72/77/25/465727725.db2.gz LNJCCWAPSMAGGL-ZANVPECISA-N -1 3 346.836 2.068 10 30 EEEEHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc2oc(=O)[nH]c2cc1F ZINC000594697282 468656834 /nfs/dbraw/zinc/65/68/34/468656834.db2.gz BJDMVESAWVXFGG-UHFFFAOYSA-N -1 3 327.337 2.354 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000594801470 468691513 /nfs/dbraw/zinc/69/15/13/468691513.db2.gz PCQPLTMTUJXMCP-GFCCVEGCSA-N -1 3 348.346 2.016 10 30 EEEEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)O1 ZINC000594852201 468705549 /nfs/dbraw/zinc/70/55/49/468705549.db2.gz OJHIPPBBRAWPAO-ZYHUDNBSSA-N -1 3 328.821 2.448 10 30 EEEEHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCN(CC)C1 ZINC000598040140 468746273 /nfs/dbraw/zinc/74/62/73/468746273.db2.gz DAYVLWRREPJGKA-HNNXBMFYSA-N -1 3 344.459 2.151 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3cccc4nn[n-]c43)CCOCC2)c1 ZINC000598245381 468805067 /nfs/dbraw/zinc/80/50/67/468805067.db2.gz GHJAHRNWCWSDNH-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3cccc4[n-]nnc43)CCOCC2)c1 ZINC000598245381 468805071 /nfs/dbraw/zinc/80/50/71/468805071.db2.gz GHJAHRNWCWSDNH-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM N#Cc1cccc(C2(NC(=O)c3cccc4n[n-]nc43)CCOCC2)c1 ZINC000598245381 468805075 /nfs/dbraw/zinc/80/50/75/468805075.db2.gz GHJAHRNWCWSDNH-UHFFFAOYSA-N -1 3 347.378 2.265 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)s1 ZINC000595381693 468833294 /nfs/dbraw/zinc/83/32/94/468833294.db2.gz YOIFVDXWZOTWRV-NWANDNLSSA-N -1 3 334.397 2.375 10 30 EEEEHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000593553542 469031161 /nfs/dbraw/zinc/03/11/61/469031161.db2.gz SRNLXQJPQOHZQV-BIMULSAOSA-N -1 3 326.443 2.102 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)[C@H]1CCCCO1 ZINC000593563264 469036852 /nfs/dbraw/zinc/03/68/52/469036852.db2.gz NNLVJOZFMUIOAI-CYBMUJFWSA-N -1 3 328.459 2.493 10 30 EEEEHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1(C)C ZINC000593577138 469043974 /nfs/dbraw/zinc/04/39/74/469043974.db2.gz AWUWYWUCYMBAHE-CHWSQXEVSA-N -1 3 328.459 2.490 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000593586950 469048276 /nfs/dbraw/zinc/04/82/76/469048276.db2.gz AFYKMYVDCZNSBM-UHFFFAOYSA-N -1 3 333.438 2.372 10 30 EEEEHM C[C@@]1(C[C@H]2CCCN2c2cc(C#N)nc3ccccc32)NC(=O)[N-]C1=O ZINC000588073514 469111655 /nfs/dbraw/zinc/11/16/55/469111655.db2.gz AHCRLESUUJZCRV-YJYMSZOUSA-N -1 3 349.394 2.063 10 30 EEEEHM N#CC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCC1 ZINC000593773476 469132321 /nfs/dbraw/zinc/13/23/21/469132321.db2.gz JLFPKDXVICIXPR-HNNXBMFYSA-N -1 3 341.411 2.197 10 30 EEEEHM Cc1nc([C@@](C)([N-]S(=O)(=O)CC2(C#N)CCCC2)C2CC2)no1 ZINC000574230212 469270126 /nfs/dbraw/zinc/27/01/26/469270126.db2.gz GUCDHRLLBWABRM-AWEZNQCLSA-N -1 3 338.433 2.007 10 30 EEEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000775155382 577431270 /nfs/dbraw/zinc/43/12/70/577431270.db2.gz KWMPRPDFNAJPSO-UONOGXRCSA-N -1 3 337.427 2.437 10 30 EEEEHM COC(=O)[C@H](C/N=C\c1c([O-])c(C)ncc1CO)Cc1ccccc1 ZINC000905003479 694499186 /nfs/dbraw/zinc/49/91/86/694499186.db2.gz WXRXOIYVASEQAZ-PFHZTYADSA-N -1 3 342.395 2.039 10 30 EEEEHM C#CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 ZINC000885837578 1202446295 /nfs/dbraw/zinc/44/62/95/1202446295.db2.gz WYZGAPRKKXBJGQ-UHFFFAOYSA-N -1 3 331.796 2.330 10 30 EEEEHM C=CCC[C@H](C)N1CC2(C1)C[C@H](NC(=O)c1ccccc1[O-])CO2 ZINC001273676093 1283022102 /nfs/dbraw/zinc/02/21/02/1283022102.db2.gz RHBUUZLPPBQISF-GJZGRUSLSA-N -1 3 330.428 2.320 10 30 EEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000859427528 1294436614 /nfs/dbraw/zinc/43/66/14/1294436614.db2.gz GIJGFYISBVCODZ-GFCCVEGCSA-N -1 3 325.361 2.197 10 30 EEEEHM C=C[C@H](COC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001119568322 1309114862 /nfs/dbraw/zinc/11/48/62/1309114862.db2.gz DOLCTSNWCGRXKO-MRVPVSSYSA-N -1 3 335.148 2.253 10 30 EEEEHM O=C(c1ccn(CCn2cccn2)n1)N([O-])Cc1ccccc1Cl ZINC001161807826 1320632936 /nfs/dbraw/zinc/63/29/36/1320632936.db2.gz OXWNCYFKXCHZFQ-UHFFFAOYSA-N -1 3 345.790 2.465 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC=C)C1 ZINC001262990828 1322417987 /nfs/dbraw/zinc/41/79/87/1322417987.db2.gz PJXVPKQSGBITJL-NSHDSACASA-N -1 3 331.811 2.142 10 30 EEEEHM C#CC[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC=C)C1 ZINC001262990828 1322417990 /nfs/dbraw/zinc/41/79/90/1322417990.db2.gz PJXVPKQSGBITJL-NSHDSACASA-N -1 3 331.811 2.142 10 30 EEEEHM C[C@H]1[C@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001281136872 1324783374 /nfs/dbraw/zinc/78/33/74/1324783374.db2.gz SRHKUXSDGXLFRC-DZGCQCFKSA-N -1 3 328.412 2.161 10 30 EEEEHM O=C(C#CC1CC1)NCCCCCCNC(=O)c1ccccc1[O-] ZINC001283325328 1326011153 /nfs/dbraw/zinc/01/11/53/1326011153.db2.gz HMIAFYSIEYDPOR-UHFFFAOYSA-N -1 3 328.412 2.212 10 30 EEEEHM C=CC(C)(C)CC(=O)NC[C@]1(NC(=O)c2cn[n-]n2)CCCC[C@@H]1C ZINC001285152802 1326891513 /nfs/dbraw/zinc/89/15/13/1326891513.db2.gz UYAYAOGIZVBQHC-SCLBCKFNSA-N -1 3 347.463 2.202 10 30 EEEEHM CC#CCCCC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001297998031 1330026993 /nfs/dbraw/zinc/02/69/93/1330026993.db2.gz KLXHGFLZXITVBP-INIZCTEOSA-N -1 3 330.428 2.456 10 30 EEEEHM O=C(NCC#C[C@H]1CCCCO1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001305026901 1331406589 /nfs/dbraw/zinc/40/65/89/1331406589.db2.gz NSZCTFZAAUJEAG-GFCCVEGCSA-N -1 3 344.798 2.484 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592442 1338726414 /nfs/dbraw/zinc/72/64/14/1338726414.db2.gz SUWUQKUXKKFYGI-NEPJUHHUSA-N -1 3 328.271 2.026 10 30 EEEEHM C=C(C)C[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C)n1 ZINC001573249389 1343625173 /nfs/dbraw/zinc/62/51/73/1343625173.db2.gz OYQOEHUMDPIKHP-LBPRGKRZSA-N -1 3 348.447 2.063 10 30 EEEEHM CCCCN([O-])C(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C ZINC001651229237 1354045439 /nfs/dbraw/zinc/04/54/39/1354045439.db2.gz IKYSNLHTOWSMLN-UHFFFAOYSA-N -1 3 348.403 2.232 10 30 EEEEHM Cn1c(C#N)ccc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001653262119 1354118872 /nfs/dbraw/zinc/11/88/72/1354118872.db2.gz WNKMHVWSHDELHF-UHFFFAOYSA-N -1 3 349.350 2.229 10 30 EEEEHM Cn1c(C#N)ccc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001653262119 1354118873 /nfs/dbraw/zinc/11/88/73/1354118873.db2.gz WNKMHVWSHDELHF-UHFFFAOYSA-N -1 3 349.350 2.229 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NCc1nc(CNC(=O)CCCC)cc(=O)[n-]1 ZINC001684816181 1358281634 /nfs/dbraw/zinc/28/16/34/1358281634.db2.gz UNFPZCNZMAIQIK-UHFFFAOYSA-N -1 3 348.447 2.207 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C)C(=O)OC ZINC000921383933 773319387 /nfs/dbraw/zinc/31/93/87/773319387.db2.gz FZCGAGCRUBPPHH-OAHLLOKOSA-N -1 3 325.430 2.312 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-][C@@H](c2ncccn2)C2CC2)CCCCC1 ZINC000921417616 773346356 /nfs/dbraw/zinc/34/63/56/773346356.db2.gz LPXAZCLIFGGFSO-CQSZACIVSA-N -1 3 334.445 2.321 10 30 EEEEHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCCN([O-])C1=O ZINC000816756973 784245027 /nfs/dbraw/zinc/24/50/27/784245027.db2.gz JSGKUHGQWCBIRQ-INIZCTEOSA-N -1 3 344.411 2.025 10 30 EEEEHM CC(C)(C(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820173798 785821596 /nfs/dbraw/zinc/82/15/96/785821596.db2.gz CXKFWAHXJQNJLM-LLVKDONJSA-N -1 3 330.306 2.089 10 30 EEEEHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820185681 785828160 /nfs/dbraw/zinc/82/81/60/785828160.db2.gz PWJMEFLMYHEBEW-QPUJVOFHSA-N -1 3 331.199 2.278 10 30 EEEEHM C=C(C)CN1CCC(NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000908946947 785869589 /nfs/dbraw/zinc/86/95/89/785869589.db2.gz YDFYYNUWOZXART-HNNXBMFYSA-N -1 3 325.453 2.168 10 30 EEEEHM C=CCN1CCC(NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC000908946918 785870026 /nfs/dbraw/zinc/87/00/26/785870026.db2.gz XBQRUAAVXSPMHY-INIZCTEOSA-N -1 3 337.464 2.360 10 30 EEEEHM C#CCN1CCC(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CC1 ZINC000910947342 787149132 /nfs/dbraw/zinc/14/91/32/787149132.db2.gz DQEDKTJSKGSHGD-UHFFFAOYSA-N -1 3 332.425 2.390 10 30 EEEEHM C=CCCOCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867017845 809932891 /nfs/dbraw/zinc/93/28/91/809932891.db2.gz RJNZHYJCHFEFAR-UHFFFAOYSA-N -1 3 347.849 2.216 10 30 EEEEHM C=C1CCC(C(=O)N2CCCC[C@@H]2CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001496417132 1101011028 /nfs/dbraw/zinc/01/10/28/1101011028.db2.gz YUGRTQCRLOALLC-OAHLLOKOSA-N -1 3 347.463 2.118 10 30 EEEEHM C#CCCCCC(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001497059524 1101904917 /nfs/dbraw/zinc/90/49/17/1101904917.db2.gz CQYLVQCAENBDNZ-HNNXBMFYSA-N -1 3 328.412 2.307 10 30 EEEEHM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494369800 1103950173 /nfs/dbraw/zinc/95/01/73/1103950173.db2.gz YOXSUBNMLZHPFB-HOCLYGCPSA-N -1 3 340.423 2.163 10 30 EEEEHM Cc1ccccc1Nc1scnc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC001450274171 1105342722 /nfs/dbraw/zinc/34/27/22/1105342722.db2.gz VNYPBEOHTRWVLD-LBPRGKRZSA-N -1 3 346.412 2.305 10 30 EEEEHM C=C(C)[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccccc1[O-])OCC ZINC001505612381 1114085051 /nfs/dbraw/zinc/08/50/51/1114085051.db2.gz PYWXFKFUJWDGGM-RHSMWYFYSA-N -1 3 346.427 2.094 10 30 EEEEHM CC[C@@H]1CCCc2sc(NC(=O)N[C@H]3CCCN([O-])C3=O)nc21 ZINC001520336129 1119147329 /nfs/dbraw/zinc/14/73/29/1119147329.db2.gz AHWSYSDZGDBWDS-ZJUUUORDSA-N -1 3 338.433 2.475 10 30 EEEEHM C#CCOc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC001569240473 1125188253 /nfs/dbraw/zinc/18/82/53/1125188253.db2.gz HGGPTZVFXUHQFS-UHFFFAOYSA-N -1 3 325.320 2.063 10 30 EEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451609670 243175188 /nfs/dbraw/zinc/17/51/88/243175188.db2.gz QHVNFQSRWLTKKT-UHFFFAOYSA-N -1 3 326.393 2.182 10 30 EEEEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000125260630 292295320 /nfs/dbraw/zinc/29/53/20/292295320.db2.gz WVCNMTNLLXGIOV-CYBMUJFWSA-N -1 3 336.438 2.249 10 30 EEEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cs1 ZINC000107703525 159334616 /nfs/dbraw/zinc/33/46/16/159334616.db2.gz SNXDEXRLKSWARG-UHFFFAOYSA-N -1 3 325.390 2.195 10 30 EEEEHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccc21 ZINC000451995778 267336202 /nfs/dbraw/zinc/33/62/02/267336202.db2.gz PCKDMOSCKRIOKV-CQSZACIVSA-N -1 3 331.397 2.401 10 30 EEEEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489593643 268067290 /nfs/dbraw/zinc/06/72/90/268067290.db2.gz PVJBBGWJICLFON-ZDUSSCGKSA-N -1 3 340.401 2.079 10 30 EEEEHM C=C(C)C[C@@H](C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000184838095 465028816 /nfs/dbraw/zinc/02/88/16/465028816.db2.gz LNPZVXPXCGYRTA-GFCCVEGCSA-N -1 3 338.429 2.473 10 30 EEEEHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000351218803 465095702 /nfs/dbraw/zinc/09/57/02/465095702.db2.gz GODFQWVPWBEICN-ZDUSSCGKSA-N -1 3 334.800 2.385 10 30 EEEEHM COC(=O)c1cc(C(=O)[N-]c2snc(C)c2C#N)cc([N+](=O)[O-])c1 ZINC000339167612 465121821 /nfs/dbraw/zinc/12/18/21/465121821.db2.gz GMNXPMUQEHIPAY-UHFFFAOYSA-N -1 3 346.324 2.270 10 30 EEEEHM C=C(C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000119154666 462878840 /nfs/dbraw/zinc/87/88/40/462878840.db2.gz MIYNFKBRQXZONC-UHFFFAOYSA-N -1 3 344.502 2.307 10 30 EEEEHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccco1 ZINC000272411198 464598259 /nfs/dbraw/zinc/59/82/59/464598259.db2.gz LLSGRDCYKHXTGD-CQSZACIVSA-N -1 3 338.360 2.346 10 30 EEEEHM C#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275105937 464763670 /nfs/dbraw/zinc/76/36/70/464763670.db2.gz VFSQFMXUEMRAAL-GFCCVEGCSA-N -1 3 343.832 2.057 10 30 EEEEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000295869999 464992075 /nfs/dbraw/zinc/99/20/75/464992075.db2.gz YTQAGDARRSKBND-RYUDHWBXSA-N -1 3 340.401 2.044 10 30 EEEEHM CC1(C)CC[C@H](CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)O1 ZINC000331162056 465962873 /nfs/dbraw/zinc/96/28/73/465962873.db2.gz LILXDVYQRYWDRM-LLVKDONJSA-N -1 3 344.408 2.459 10 30 EEEEHM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CCCC3)CCCC2)no1 ZINC000354080659 466336778 /nfs/dbraw/zinc/33/67/78/466336778.db2.gz WIRRYWYMRNDWAX-UHFFFAOYSA-N -1 3 338.433 2.151 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)s1 ZINC000435437097 467468966 /nfs/dbraw/zinc/46/89/66/467468966.db2.gz IZYOWOIFGCFIBF-UHFFFAOYSA-N -1 3 344.364 2.255 10 30 EEEEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000528493842 467687511 /nfs/dbraw/zinc/68/75/11/467687511.db2.gz IOHLDILJAUZGQC-LKFCYVNXSA-N -1 3 326.805 2.057 10 30 EEEEHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1ccco1 ZINC000514600217 467942194 /nfs/dbraw/zinc/94/21/94/467942194.db2.gz KZNLAPKBVPPVLX-HNNXBMFYSA-N -1 3 334.397 2.153 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000594485897 468604716 /nfs/dbraw/zinc/60/47/16/468604716.db2.gz CMSWPYJFZXUFBB-DGCLKSJQSA-N -1 3 348.346 2.337 10 30 EEEEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C#N)CC(C)C)c1ccc(F)cc1 ZINC000600668358 468614908 /nfs/dbraw/zinc/61/49/08/468614908.db2.gz PCWSKTKQMGHHGW-CABCVRRESA-N -1 3 328.409 2.371 10 30 EEEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000595366972 468827873 /nfs/dbraw/zinc/82/78/73/468827873.db2.gz WGDKHFUWRVXQHR-MRXNPFEDSA-N -1 3 340.420 2.322 10 30 EEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OC ZINC000601501306 468896596 /nfs/dbraw/zinc/89/65/96/468896596.db2.gz LYLBVQOROJRZSU-ZDUSSCGKSA-N -1 3 331.821 2.267 10 30 EEEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)C1 ZINC000593525123 469016712 /nfs/dbraw/zinc/01/67/12/469016712.db2.gz IWPTVSFBHSSDSL-AWEZNQCLSA-N -1 3 347.465 2.173 10 30 EEEEHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)C1(O)CCCC1 ZINC000593605688 469055788 /nfs/dbraw/zinc/05/57/88/469055788.db2.gz VSWWALDPTIGYJS-UHFFFAOYSA-N -1 3 328.459 2.229 10 30 EEEEHM C=CCCS(=O)(=O)[N-][C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000192990312 527416953 /nfs/dbraw/zinc/41/69/53/527416953.db2.gz SAIVZJVGKSCTJA-ZDUSSCGKSA-N -1 3 331.821 2.440 10 30 EEEEHM CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C/c1ccc(O)c([O-])c1O ZINC000776257309 577455855 /nfs/dbraw/zinc/45/58/55/577455855.db2.gz KEOUIKSXNSFIJS-SGEFVQMOSA-N -1 3 339.388 2.359 10 30 EEEEHM C#CC[N-]C(=S)C(C(=O)c1ccccc1)[n+]1cc([O-])ccc1C ZINC000759058576 577636405 /nfs/dbraw/zinc/63/64/05/577636405.db2.gz LNJXCPNOMVTGLW-UHFFFAOYSA-O -1 3 325.413 2.422 10 30 EEEEHM C[C@@](O)(C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000759080121 577636715 /nfs/dbraw/zinc/63/67/15/577636715.db2.gz ZJGJJIWGHHICNV-OAHLLOKOSA-N -1 3 340.420 2.037 10 30 EEEEHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000760210202 577658884 /nfs/dbraw/zinc/65/88/84/577658884.db2.gz COVIAMOIKVWLFV-AHURVMIPSA-N -1 3 337.383 2.349 10 30 EEEEHM O=C([C@@H]1CCC[C@H]2C[C@H]21)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185480 694314507 /nfs/dbraw/zinc/31/45/07/694314507.db2.gz CWRDYOPLDCYVNB-APHBMKBZSA-N -1 3 342.395 2.327 10 30 EEEEHM CCCCCCN([O-])C(=O)Cn1ccc(Br)cc1=O ZINC000904206568 694322212 /nfs/dbraw/zinc/32/22/12/694322212.db2.gz BVYQTVAFFGYMJX-UHFFFAOYSA-N -1 3 331.210 2.409 10 30 EEEEHM COC(=O)c1cnc(C(=O)N([O-])CCCCc2ccccc2)cn1 ZINC000904197925 694326705 /nfs/dbraw/zinc/32/67/05/694326705.db2.gz QLSAUAMJIUXTLA-UHFFFAOYSA-N -1 3 329.356 2.118 10 30 EEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000867568865 1201635055 /nfs/dbraw/zinc/63/50/55/1201635055.db2.gz QKTBSYXCMIGTGR-CYBMUJFWSA-N -1 3 336.438 2.127 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1ccccc1F)C(=O)OCC ZINC000882645271 1201913105 /nfs/dbraw/zinc/91/31/05/1201913105.db2.gz OHZQJBDRUYOBCN-OAHLLOKOSA-N -1 3 343.420 2.186 10 30 EEEEHM C=C(Cl)C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)OCC ZINC001413416962 1236874946 /nfs/dbraw/zinc/87/49/46/1236874946.db2.gz QBHSMNCHLBXXEY-GFCCVEGCSA-N -1 3 349.774 2.140 10 30 EEEEHM C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490787216 1291732455 /nfs/dbraw/zinc/73/24/55/1291732455.db2.gz DGHSZYYWPGLHRH-BMFZPTHFSA-N -1 3 326.396 2.057 10 30 EEEEHM N#CC1(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC000854004672 1292579936 /nfs/dbraw/zinc/57/99/36/1292579936.db2.gz KCLVKDIZOJTFDW-UHFFFAOYSA-N -1 3 330.314 2.097 10 30 EEEEHM C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001123424515 1310564746 /nfs/dbraw/zinc/56/47/46/1310564746.db2.gz PHNXVFMJJOBXOM-AWEZNQCLSA-N -1 3 338.415 2.151 10 30 EEEEHM CCOC(=O)c1ccc(NC(=O)c2cnn(CCC#N)c2C)c([O-])c1 ZINC001153020501 1316760439 /nfs/dbraw/zinc/76/04/39/1316760439.db2.gz VXVBAOUHVDOGAB-UHFFFAOYSA-N -1 3 342.355 2.240 10 30 EEEEHM C=CCCC(=O)N[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1(C)C ZINC001276562265 1324367664 /nfs/dbraw/zinc/36/76/64/1324367664.db2.gz UZXKYVWUZUVAEW-HNNXBMFYSA-N -1 3 344.459 2.352 10 30 EEEEHM CC#CCCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001283919807 1326319863 /nfs/dbraw/zinc/31/98/63/1326319863.db2.gz UNBDRJHKSRBLEH-MRXNPFEDSA-N -1 3 328.412 2.210 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001339858101 1337085661 /nfs/dbraw/zinc/08/56/61/1337085661.db2.gz YUYIKUVOAQVVME-HNNXBMFYSA-N -1 3 348.357 2.171 10 30 EEEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001340595590 1337212224 /nfs/dbraw/zinc/21/22/24/1337212224.db2.gz ZWVKFWUZUMGLQB-WDEREUQCSA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001340595590 1337212226 /nfs/dbraw/zinc/21/22/26/1337212226.db2.gz ZWVKFWUZUMGLQB-WDEREUQCSA-N -1 3 349.826 2.050 10 30 EEEEHM C=CCN(CCOC)c1nnc(-c2nnc(Cl)[n-]2)n1CC(C)C ZINC001342953664 1337325013 /nfs/dbraw/zinc/32/50/13/1337325013.db2.gz WYJDEBURUXSUKA-UHFFFAOYSA-N -1 3 339.831 2.011 10 30 EEEEHM C=CCN(CCOC)c1nnc(-c2n[n-]c(Cl)n2)n1CC(C)C ZINC001342953664 1337325016 /nfs/dbraw/zinc/32/50/16/1337325016.db2.gz WYJDEBURUXSUKA-UHFFFAOYSA-N -1 3 339.831 2.011 10 30 EEEEHM CCOC(OCC)[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001640960176 1352716158 /nfs/dbraw/zinc/71/61/58/1352716158.db2.gz LNDLSXHUBYBFEO-CYBMUJFWSA-N -1 3 349.431 2.112 10 30 EEEEHM C=CCOc1ccc(CC(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1 ZINC001648319572 1353424762 /nfs/dbraw/zinc/42/47/62/1353424762.db2.gz VBBMKKXWJUNUKE-UHFFFAOYSA-N -1 3 329.356 2.332 10 30 EEEEHM C=CCOc1ccc(CC(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1 ZINC001648319572 1353424765 /nfs/dbraw/zinc/42/47/65/1353424765.db2.gz VBBMKKXWJUNUKE-UHFFFAOYSA-N -1 3 329.356 2.332 10 30 EEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC001662896081 1354873984 /nfs/dbraw/zinc/87/39/84/1354873984.db2.gz VBIUDYRKZKICHJ-KGLIPLIRSA-N -1 3 348.449 2.269 10 30 EEEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)C(=O)OC ZINC000921384005 773319612 /nfs/dbraw/zinc/31/96/12/773319612.db2.gz HPKZGXJEXUXOJD-GFCCVEGCSA-N -1 3 346.836 2.052 10 30 EEEEHM Cc1cccc(COc2cccc(C(=O)N[C@H]3CCN([O-])C3=O)c2)c1 ZINC000816692451 784199299 /nfs/dbraw/zinc/19/92/99/784199299.db2.gz OKZUHLZWASOLRV-KRWDZBQOSA-N -1 3 340.379 2.294 10 30 EEEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000816691852 784201090 /nfs/dbraw/zinc/20/10/90/784201090.db2.gz AMAGNXPLQSZYGY-ZDUSSCGKSA-N -1 3 328.393 2.234 10 30 EEEEHM C=CC(C)(C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000908462385 785431176 /nfs/dbraw/zinc/43/11/76/785431176.db2.gz PCBMIENTZDTGRO-UHFFFAOYSA-N -1 3 343.879 2.048 10 30 EEEEHM CCn1nc(C)c(C=Nn2c(-c3ccccc3[O-])csc2=NC)n1 ZINC000844554259 789196162 /nfs/dbraw/zinc/19/61/62/789196162.db2.gz HGEIDIGMAQZANA-UHFFFAOYSA-N -1 3 342.428 2.255 10 30 EEEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C)ccc1F ZINC000844969754 789493159 /nfs/dbraw/zinc/49/31/59/789493159.db2.gz UYMHFVNUMOFWBX-LLVKDONJSA-N -1 3 342.436 2.454 10 30 EEEEHM C=CCCC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001466391448 1110434765 /nfs/dbraw/zinc/43/47/65/1110434765.db2.gz QEBCJLSJVSDLLZ-LBPRGKRZSA-N -1 3 345.374 2.349 10 30 EEEEHM C=CCCC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001466391448 1110434768 /nfs/dbraw/zinc/43/47/68/1110434768.db2.gz QEBCJLSJVSDLLZ-LBPRGKRZSA-N -1 3 345.374 2.349 10 30 EEEEHM C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001467635338 1110460976 /nfs/dbraw/zinc/46/09/76/1110460976.db2.gz UIAITIXNCYOTQX-ZDUSSCGKSA-N -1 3 343.358 2.055 10 30 EEEEHM C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001467635338 1110460978 /nfs/dbraw/zinc/46/09/78/1110460978.db2.gz UIAITIXNCYOTQX-ZDUSSCGKSA-N -1 3 343.358 2.055 10 30 EEEEHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nn1 ZINC001475569152 1110614815 /nfs/dbraw/zinc/61/48/15/1110614815.db2.gz ZJGLNGQPSMSUQO-UHFFFAOYSA-N -1 3 344.799 2.125 10 30 EEEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@H](CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001501183590 1113231993 /nfs/dbraw/zinc/23/19/93/1113231993.db2.gz CBOJQWUFHCREFS-HDJSIYSDSA-N -1 3 349.479 2.125 10 30 EEEEHM C=C1CCC(C(=O)N(C)CC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)CC1 ZINC001506492147 1114647401 /nfs/dbraw/zinc/64/74/01/1114647401.db2.gz WSAHUPLZRJWIMV-HNNXBMFYSA-N -1 3 349.479 2.219 10 30 EEEEHM CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)C#N)NC(=O)c1ccccc1[O-] ZINC001509240892 1115770112 /nfs/dbraw/zinc/77/01/12/1115770112.db2.gz XUCGOAWHOIUABI-DZGCQCFKSA-N -1 3 331.416 2.155 10 30 EEEEHM C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001520569854 1119176519 /nfs/dbraw/zinc/17/65/19/1119176519.db2.gz DGNZVLSHVCZUHT-YCPHGPKFSA-N -1 3 346.427 2.093 10 30 EEEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001524189272 1120000922 /nfs/dbraw/zinc/00/09/22/1120000922.db2.gz LHXDDGANNLIMNP-PHIMTYICSA-N -1 3 333.417 2.014 10 30 EEEEHM C#CCN(C(=O)/C(C)=C/C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001536632079 1123750745 /nfs/dbraw/zinc/75/07/45/1123750745.db2.gz VJZLKKNGSKRHHD-PJQLUOCWSA-N -1 3 340.423 2.425 10 30 EEEEHM C=CCN[C@H](C(=O)[O-])c1cc(Br)c2c(c1)OCCO2 ZINC000051960462 214110540 /nfs/dbraw/zinc/11/05/40/214110540.db2.gz MHWNTKVMARJRFP-NSHDSACASA-N -1 3 328.162 2.122 10 30 EEEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119883824 159381602 /nfs/dbraw/zinc/38/16/02/159381602.db2.gz IRBITVCCJDMDAT-LLVKDONJSA-N -1 3 336.355 2.088 10 30 EEEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119883824 159381605 /nfs/dbraw/zinc/38/16/05/159381605.db2.gz IRBITVCCJDMDAT-LLVKDONJSA-N -1 3 336.355 2.088 10 30 EEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000529981378 270022290 /nfs/dbraw/zinc/02/22/90/270022290.db2.gz FRWJYPXNPPQFHI-KMLDAGGKSA-N -1 3 331.416 2.136 10 30 EEEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)s1 ZINC000331235563 268202271 /nfs/dbraw/zinc/20/22/71/268202271.db2.gz KCXUMPBRUKOAPA-YPMHNXCESA-N -1 3 328.459 2.229 10 30 EEEEHM N#Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052506070 294915745 /nfs/dbraw/zinc/91/57/45/294915745.db2.gz HFKJQFYMBDFODA-QGZVFWFLSA-N -1 3 349.390 2.185 10 30 EEEEHM CCNC(=O)N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000155056772 462841380 /nfs/dbraw/zinc/84/13/80/462841380.db2.gz ZNWAAVONOPPNEC-OPFCKLNOSA-N -1 3 340.221 2.377 10 30 EEEEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000276167126 464831493 /nfs/dbraw/zinc/83/14/93/464831493.db2.gz SPTMGPBHZKINBO-IUCAKERBSA-N -1 3 336.335 2.279 10 30 EEEEHM N#Cc1c([N-]C(=O)c2csc(C(F)(F)F)n2)n[nH]c1C1CC1 ZINC000359722033 465486269 /nfs/dbraw/zinc/48/62/69/465486269.db2.gz DKBAQVHKGVDEAT-UHFFFAOYSA-N -1 3 327.291 2.886 10 30 EEEEHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1nc(C)cc(C)n1 ZINC000343913876 465565177 /nfs/dbraw/zinc/56/51/77/465565177.db2.gz GYJMQXOLCDSLKC-AWEZNQCLSA-N -1 3 332.367 2.473 10 30 EEEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000350625099 466550952 /nfs/dbraw/zinc/55/09/52/466550952.db2.gz FBFHNDTYTVWYLN-YVMONPNESA-N -1 3 343.364 2.458 10 30 EEEEHM C[C@H](F)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416487170 466736899 /nfs/dbraw/zinc/73/68/99/466736899.db2.gz INPUVQCZCIJRIV-QMMMGPOBSA-N -1 3 335.198 2.347 10 30 EEEEHM CC1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000376844466 466942127 /nfs/dbraw/zinc/94/21/27/466942127.db2.gz KFQJAPITHNRQQO-OAHLLOKOSA-N -1 3 341.411 2.149 10 30 EEEEHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C ZINC000424071570 466971859 /nfs/dbraw/zinc/97/18/59/466971859.db2.gz UWTUENFQWBOXHS-MRVPVSSYSA-N -1 3 347.234 2.406 10 30 EEEEHM COC(=O)c1cc([N-]C(=O)c2ccc(C#N)o2)c(C)c([N+](=O)[O-])c1 ZINC000428308976 467221047 /nfs/dbraw/zinc/22/10/47/467221047.db2.gz BGUQPMQPNXSYBD-UHFFFAOYSA-N -1 3 329.268 2.407 10 30 EEEEHM C=CCC[C@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OCC ZINC000452001887 467299774 /nfs/dbraw/zinc/29/97/74/467299774.db2.gz XKCINCNPRSBQSY-HNNXBMFYSA-N -1 3 341.429 2.013 10 30 EEEEHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(CC#N)ccn1)c2=O ZINC000531674102 468069462 /nfs/dbraw/zinc/06/94/62/468069462.db2.gz XEEOBWDJHIAPGL-UHFFFAOYSA-N -1 3 334.335 2.250 10 30 EEEEHM COc1ccc2c(c1)ncc(C(=O)Nc1cc(CC#N)ccn1)c2[O-] ZINC000531674102 468069465 /nfs/dbraw/zinc/06/94/65/468069465.db2.gz XEEOBWDJHIAPGL-UHFFFAOYSA-N -1 3 334.335 2.250 10 30 EEEEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594792387 468686822 /nfs/dbraw/zinc/68/68/22/468686822.db2.gz QEJGXZNAIZBKID-NSHDSACASA-N -1 3 341.864 2.363 10 30 EEEEHM N#CC1(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)CCC1 ZINC000571347059 468775346 /nfs/dbraw/zinc/77/53/46/468775346.db2.gz FCTMPBHEGVPYQG-UHFFFAOYSA-N -1 3 348.453 2.318 10 30 EEEEHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601411582 468862970 /nfs/dbraw/zinc/86/29/70/468862970.db2.gz XUUWTTWGHQOTCQ-CMPLNLGQSA-N -1 3 346.430 2.224 10 30 EEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OC ZINC000601503126 468898396 /nfs/dbraw/zinc/89/83/96/468898396.db2.gz XXEDRLDVZXFAQX-OAHLLOKOSA-N -1 3 325.430 2.176 10 30 EEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000584775564 468933541 /nfs/dbraw/zinc/93/35/41/468933541.db2.gz NPCNUJIJSUXYLK-FZMZJTMJSA-N -1 3 340.217 2.405 10 30 EEEEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000593582260 469046720 /nfs/dbraw/zinc/04/67/20/469046720.db2.gz NPUXRGODVXESRI-CQSZACIVSA-N -1 3 328.459 2.229 10 30 EEEEHM CS(=O)(=O)[N-]c1cc(C(=O)NCC2(C#N)CCCC2)ccc1F ZINC000593778420 469134029 /nfs/dbraw/zinc/13/40/29/469134029.db2.gz RFDUQRZUYRYQAB-UHFFFAOYSA-N -1 3 339.392 2.011 10 30 EEEEHM COC(=O)[C@]1([N-]S(=O)(=O)CC(C)(C)CC#N)CCCC(C)(C)C1 ZINC000599406031 469246377 /nfs/dbraw/zinc/24/63/77/469246377.db2.gz APUXFCLCZYOEEX-INIZCTEOSA-N -1 3 344.477 2.358 10 30 EEEEHM Cc1nc([N-]C(=O)COc2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000610112553 469981543 /nfs/dbraw/zinc/98/15/43/469981543.db2.gz QEKYRXMTSLHZPV-UHFFFAOYSA-N -1 3 347.378 2.195 10 30 EEEEHM CC1(C(=O)C[N-]S(=O)(=O)Cc2ccc(CC#N)cc2)CCCC1 ZINC000625548235 470163295 /nfs/dbraw/zinc/16/32/95/470163295.db2.gz AJBMHQLOMLDYFG-UHFFFAOYSA-N -1 3 334.441 2.321 10 30 EEEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)c1 ZINC000765587122 577503553 /nfs/dbraw/zinc/50/35/53/577503553.db2.gz LHGWFGFUTGHQBU-MRXNPFEDSA-N -1 3 339.351 2.198 10 30 EEEEHM N#Cc1cc(F)cc(S(=O)(=O)[N-]CCSC(F)(F)F)c1 ZINC000720052336 1213653881 /nfs/dbraw/zinc/65/38/81/1213653881.db2.gz HJHWVPROPYBOPG-UHFFFAOYSA-N -1 3 328.312 2.229 10 30 EEEEHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC[C@H]2CCC)n1 ZINC001489076659 1290361044 /nfs/dbraw/zinc/36/10/44/1290361044.db2.gz PDAHOZCFKOQUBI-ZBFHGGJFSA-N -1 3 344.459 2.128 10 30 EEEEHM COc1ccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c([O-])c1 ZINC000855308340 1293167324 /nfs/dbraw/zinc/16/73/24/1293167324.db2.gz ASCAOULDTMBITO-LJQANCHMSA-N -1 3 337.379 2.493 10 30 EEEEHM Cc1nc2ccccc2c(=O)n1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001161849091 1320646030 /nfs/dbraw/zinc/64/60/30/1320646030.db2.gz NFVWYGZUIQCJQD-UHFFFAOYSA-N -1 3 341.342 2.262 10 30 EEEEHM C=CCCCC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001265301989 1323052716 /nfs/dbraw/zinc/05/27/16/1323052716.db2.gz VTQLBKKEXQOIQI-AWEZNQCLSA-N -1 3 330.432 2.106 10 30 EEEEHM C=CC(C)(C)C(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001281389306 1325027044 /nfs/dbraw/zinc/02/70/44/1325027044.db2.gz VLQLNVULELLYLG-UHFFFAOYSA-N -1 3 328.412 2.493 10 30 EEEEHM C#Cc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(Cl)c1 ZINC001209905699 1325092657 /nfs/dbraw/zinc/09/26/57/1325092657.db2.gz LOXDBKBRZLHAGI-UHFFFAOYSA-N -1 3 334.788 2.427 10 30 EEEEHM C=CCCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001286261123 1327361546 /nfs/dbraw/zinc/36/15/46/1327361546.db2.gz AHOPWDPJBHIEDF-PHZGNYQRSA-N -1 3 328.412 2.183 10 30 EEEEHM C=CCCOCC(=O)N(CC)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001297328607 1329962358 /nfs/dbraw/zinc/96/23/58/1329962358.db2.gz LMWLKGSNGLYWFH-HNNXBMFYSA-N -1 3 346.427 2.048 10 30 EEEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001298426974 1330076838 /nfs/dbraw/zinc/07/68/38/1330076838.db2.gz RODYXHOSQXHBLB-CQSZACIVSA-N -1 3 348.305 2.477 10 30 EEEEHM C[C@H](CC1CCCCC1)C(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001316718586 1331831377 /nfs/dbraw/zinc/83/13/77/1331831377.db2.gz GRPIPTVNHMZCIB-CYBMUJFWSA-N -1 3 345.447 2.018 10 30 EEEEHM C=CCCC(=O)N(CC)[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001318460711 1332542514 /nfs/dbraw/zinc/54/25/14/1332542514.db2.gz ZUEPBTVUWMYBOY-INIZCTEOSA-N -1 3 344.459 2.449 10 30 EEEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001339195127 1336973718 /nfs/dbraw/zinc/97/37/18/1336973718.db2.gz GCDAMAGYHPSYAB-CYBMUJFWSA-N -1 3 328.420 2.417 10 30 EEEEHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC2CC1(C)C2 ZINC001351921722 1337867355 /nfs/dbraw/zinc/86/73/55/1337867355.db2.gz WZHWOIJRHFOQDK-UHFFFAOYSA-N -1 3 348.414 2.300 10 30 EEEEHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC2CC1(C)C2 ZINC001351921722 1337867358 /nfs/dbraw/zinc/86/73/58/1337867358.db2.gz WZHWOIJRHFOQDK-UHFFFAOYSA-N -1 3 348.414 2.300 10 30 EEEEHM CCCCN([O-])C(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001611657898 1352303353 /nfs/dbraw/zinc/30/33/53/1352303353.db2.gz MBBRYCIIVMWJMW-OAHLLOKOSA-N -1 3 336.388 2.042 10 30 EEEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001434063565 1341757014 /nfs/dbraw/zinc/75/70/14/1341757014.db2.gz ICOOGVBWEZEGIE-UHFFFAOYSA-N -1 3 344.440 2.233 10 30 EEEEHM CC#CCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001624093152 1352413529 /nfs/dbraw/zinc/41/35/29/1352413529.db2.gz OHCSCYPWCUPFMY-UHFFFAOYSA-N -1 3 333.185 2.434 10 30 EEEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1C(=O)c1cccs1 ZINC001628548428 1352537009 /nfs/dbraw/zinc/53/70/09/1352537009.db2.gz YJIDOZKJPMJDSW-CYBMUJFWSA-N -1 3 344.392 2.089 10 30 EEEEHM C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001675417382 1356975355 /nfs/dbraw/zinc/97/53/55/1356975355.db2.gz HHMDYTBYOYZOCD-DNVCBOLYSA-N -1 3 345.443 2.059 10 30 EEEEHM C=C(C)C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000909067184 785979628 /nfs/dbraw/zinc/97/96/28/785979628.db2.gz JARKUIFOSMGSKU-PVAVHDDUSA-N -1 3 345.443 2.226 10 30 EEEEHM C=C[C@@H](C)O[N-]C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000824034244 788019342 /nfs/dbraw/zinc/01/93/42/788019342.db2.gz ZIUUPFJKGJRECJ-LLVKDONJSA-N -1 3 338.408 2.322 10 30 EEEEHM