smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1/C=C\C(=O)c1ccc(O)c(Cl)c1 ZINC000588480328 1118910446 /nfs/dbraw/zinc/91/04/46/1118910446.db2.gz DIBFQYYXHZOHOY-PLNGDYQASA-N 0 2 279.748 3.707 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)C(=O)CSC2CC2)s1 ZINC000835387866 1131829129 /nfs/dbraw/zinc/82/91/29/1131829129.db2.gz MCZCKMMCIBVLTK-SNVBAGLBSA-N 0 2 294.445 3.512 20 30 CHEDLN Cc1cc(Nc2ccc(Cl)c(O)c2F)cnc1C#N ZINC001214797924 1134573619 /nfs/dbraw/zinc/57/36/19/1134573619.db2.gz JYKGDOMFXMYCCV-UHFFFAOYSA-N 0 2 277.686 3.503 20 30 CHEDLN CSc1cccc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001215822970 1134694549 /nfs/dbraw/zinc/69/45/49/1134694549.db2.gz JJPNJJVKCSNTKM-UHFFFAOYSA-N 0 2 280.349 3.930 20 30 CHEDLN N#CC1=C(Nc2cc(Cl)nc(Cl)c2)SCC1=O ZINC001212092033 1125725633 /nfs/dbraw/zinc/72/56/33/1125725633.db2.gz FDFDJBAJVBBWFR-UHFFFAOYSA-N 0 2 286.143 3.771 20 30 CHEDLN CC(CCC1CCCC1)=NNc1cnnc(O)c1Cl ZINC000740760412 1129417489 /nfs/dbraw/zinc/41/74/89/1129417489.db2.gz CKLODIIMKOUVAT-UHFFFAOYSA-N 0 2 282.775 3.594 20 30 CHEDLN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2o1 ZINC000054735033 1127138610 /nfs/dbraw/zinc/13/86/10/1127138610.db2.gz ILDYJBDNNWGLKF-GUOLPTJISA-N 0 2 294.335 3.779 20 30 CHEDLN N#CCCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000594333873 1127414047 /nfs/dbraw/zinc/41/40/47/1127414047.db2.gz WPWPCWADFXCBKJ-UHFFFAOYSA-N 0 2 287.146 3.721 20 30 CHEDLN C#CCCCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000230871816 1127784863 /nfs/dbraw/zinc/78/48/63/1127784863.db2.gz MPXDNPUSKBAZAG-UHFFFAOYSA-N 0 2 286.158 3.831 20 30 CHEDLN Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3C)n2)cc1 ZINC000916627455 1128430074 /nfs/dbraw/zinc/43/00/74/1128430074.db2.gz VZMRXJVLDNHMEX-KWCYVHTRSA-N 0 2 296.395 3.951 20 30 CHEDLN C=CCCC[C@@H](C)NC(=O)c1cccc(Cl)c1O ZINC001127429016 1128497072 /nfs/dbraw/zinc/49/70/72/1128497072.db2.gz AMXBBZAEWGMTKL-SNVBAGLBSA-N 0 2 267.756 3.520 20 30 CHEDLN N#CC(C(=O)CCc1ccsc1)c1nc2ccccc2o1 ZINC000041544440 1128547558 /nfs/dbraw/zinc/54/75/58/1128547558.db2.gz AXEGCGJJKCMRCV-GFCCVEGCSA-N 0 2 296.351 3.698 20 30 CHEDLN N#Cc1cnc(-c2cc(F)c(O)cc2F)c2ccccc12 ZINC001206755364 1117761129 /nfs/dbraw/zinc/76/11/29/1117761129.db2.gz JYTOCDSRBMRFPJ-UHFFFAOYSA-N 0 2 282.249 3.757 20 30 CHEDLN CCON=C(C)c1cc(Br)cc(Cl)c1O ZINC000764677447 1118106525 /nfs/dbraw/zinc/10/65/25/1118106525.db2.gz YRJSNHXFRPPARR-UHFFFAOYSA-N 0 2 292.560 3.569 20 30 CHEDLN Cc1c(F)cc(NC2=C(C#N)C(=O)CS2)cc1F ZINC001210108001 1118154577 /nfs/dbraw/zinc/15/45/77/1118154577.db2.gz XOXRJUHXMPGZJK-UHFFFAOYSA-N 0 2 266.272 3.656 20 30 CHEDLN Cc1cncc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430597848 1118586892 /nfs/dbraw/zinc/58/68/92/1118586892.db2.gz BCOISMFVHVVFQZ-GFCCVEGCSA-N 0 2 299.399 3.634 20 30 CHEDLN C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000022728964 1118822196 /nfs/dbraw/zinc/82/21/96/1118822196.db2.gz CUMCITJWYUVEII-PBSOMRJOSA-N 0 2 284.315 3.523 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C=Cc2cccnc2)n1 ZINC000255414164 1118862047 /nfs/dbraw/zinc/86/20/47/1118862047.db2.gz JBBKLFWSKWSVLS-CFHLNLSMSA-N 0 2 297.383 3.551 20 30 CHEDLN Cn1ccc2cccc(N=Cc3cc([N+](=O)[O-])ccc3O)c21 ZINC000588564448 1119274019 /nfs/dbraw/zinc/27/40/19/1119274019.db2.gz KWUGGJODRNZMEU-UHFFFAOYSA-N 0 2 295.298 3.543 20 30 CHEDLN N#CC(C(=O)c1occ2c1CCC2)c1nc(C2CC2)cs1 ZINC000647379694 1119712577 /nfs/dbraw/zinc/71/25/77/1119712577.db2.gz FCOLNQBRGPVUPY-GFCCVEGCSA-N 0 2 298.367 3.592 20 30 CHEDLN Cc1cc(C)cc(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041545781 1120283707 /nfs/dbraw/zinc/28/37/07/1120283707.db2.gz MSXCVYGGMBLOAS-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN CCOc1cc(F)c(NC2=C(C#N)C(=O)CS2)cc1F ZINC001175054172 1121162490 /nfs/dbraw/zinc/16/24/90/1121162490.db2.gz APZIADGJHONJBM-UHFFFAOYSA-N 0 2 296.298 3.746 20 30 CHEDLN CCOc1ccc(NC2=C(C#N)C(=O)CS2)c(C)c1 ZINC001175242858 1121241771 /nfs/dbraw/zinc/24/17/71/1121241771.db2.gz KRTXMQPWWZYIMQ-UHFFFAOYSA-N 0 2 274.345 3.776 20 30 CHEDLN Cc1ccc(Nc2c(F)cc(F)c(O)c2F)c(C#N)c1 ZINC001176672524 1121673373 /nfs/dbraw/zinc/67/33/73/1121673373.db2.gz ZKAOIYBRXGXLIQ-UHFFFAOYSA-N 0 2 278.233 3.733 20 30 CHEDLN CCOc1ccc(NN=C(C)c2sccc2O)cc1 ZINC000814984794 1121904668 /nfs/dbraw/zinc/90/46/68/1121904668.db2.gz URUVSXKGDBAWQH-UHFFFAOYSA-N 0 2 276.361 3.689 20 30 CHEDLN N#Cc1ccc(O)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC001251180235 1122952182 /nfs/dbraw/zinc/95/21/82/1122952182.db2.gz KDNWQIMVCICKDN-UHFFFAOYSA-N 0 2 287.681 3.600 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H]2C=CCC2)n1 ZINC000080455223 1129099891 /nfs/dbraw/zinc/09/98/91/1129099891.db2.gz JDRDOWLOFASHKU-NEPJUHHUSA-N 0 2 274.389 3.799 20 30 CHEDLN N#C[C@H](C(=O)CCCF)c1nc2cc(Cl)ccc2s1 ZINC000850771711 1123301392 /nfs/dbraw/zinc/30/13/92/1123301392.db2.gz WUNFCJZEDXFLJW-SECBINFHSA-N 0 2 296.754 3.876 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)n1 ZINC000528966881 1124862867 /nfs/dbraw/zinc/86/28/67/1124862867.db2.gz OHBPSUAIHSOFQA-QIRAZROLSA-N 0 2 288.416 3.735 20 30 CHEDLN C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000741466476 1129436917 /nfs/dbraw/zinc/43/69/17/1129436917.db2.gz SRXSBSNFVLSHLD-OKHBPPCESA-N 0 2 276.336 3.688 20 30 CHEDLN CSc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000254873556 1129715417 /nfs/dbraw/zinc/71/54/17/1129715417.db2.gz CAOTVJMYXLFNCO-UHFFFAOYSA-N 0 2 288.328 3.773 20 30 CHEDLN Cc1cc(C#N)cc(C#N)c1Nc1ccc(Cl)c(O)c1 ZINC001212593104 1129743464 /nfs/dbraw/zinc/74/34/64/1129743464.db2.gz CWCORRWDLZTGNB-UHFFFAOYSA-N 0 2 283.718 3.841 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C=Cc2ccc[nH]2)s1 ZINC000802249613 1129986019 /nfs/dbraw/zinc/98/60/19/1129986019.db2.gz CJLIFQWHBFIBQR-DGMVEKRQSA-N 0 2 299.399 3.658 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2cc(Cl)cs2)n1 ZINC000759422199 1130657365 /nfs/dbraw/zinc/65/73/65/1130657365.db2.gz TZXVSIWIICIIOR-MRVPVSSYSA-N 0 2 282.777 3.657 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)CC2(C)CC2)n1 ZINC000759550658 1130662584 /nfs/dbraw/zinc/66/25/84/1130662584.db2.gz UYNUGXZSCRUPMF-SNVBAGLBSA-N 0 2 262.378 3.633 20 30 CHEDLN C=CCC(CC=C)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234815568 1130678142 /nfs/dbraw/zinc/67/81/42/1130678142.db2.gz WAXZLJMPCQBXQO-UHFFFAOYSA-N 0 2 286.327 3.707 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C(C2CCC2)C2CCC2)n1 ZINC000796739301 1130926963 /nfs/dbraw/zinc/92/69/63/1130926963.db2.gz QNNZSOKAGDWAPV-CYBMUJFWSA-N 0 2 288.416 3.844 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CC=CC2)s1 ZINC000797573362 1130994236 /nfs/dbraw/zinc/99/42/36/1130994236.db2.gz RHLJXNVKMLOGQG-LLVKDONJSA-N 0 2 274.389 3.583 20 30 CHEDLN CC(C)(C)C#CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000837505658 1132080085 /nfs/dbraw/zinc/08/00/85/1132080085.db2.gz MCPXXEWVZMOTDC-UHFFFAOYSA-N 0 2 286.158 3.687 20 30 CHEDLN CCCON=C(C)c1ccc(Cl)c(Cl)c1O ZINC000842556276 1132441091 /nfs/dbraw/zinc/44/10/91/1132441091.db2.gz JQZJYKQAPSTFDP-UHFFFAOYSA-N 0 2 262.136 3.850 20 30 CHEDLN [O-]c1c(Cl)ccc(C[NH+]2CCC(S)CC2)c1Cl ZINC001232627540 1132499063 /nfs/dbraw/zinc/49/90/63/1132499063.db2.gz JECIYENJABFHGL-UHFFFAOYSA-N 0 2 292.231 3.593 20 30 CHEDLN C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[nH]c(=O)cc(C)c2C#N)C1 ZINC001233915710 1132696963 /nfs/dbraw/zinc/69/69/63/1132696963.db2.gz YSOLCMHCPPQURE-UKRRQHHQSA-N 0 2 284.359 3.647 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1C#N ZINC001233915400 1132697657 /nfs/dbraw/zinc/69/76/57/1132697657.db2.gz LIVMFIYWOSQUFV-OSAQELSMSA-N 0 2 288.391 3.807 20 30 CHEDLN CCCCC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)C ZINC001233919459 1132698159 /nfs/dbraw/zinc/69/81/59/1132698159.db2.gz RZFQUJOTXYYTOW-AWEZNQCLSA-N 0 2 276.380 3.951 20 30 CHEDLN CC[C@H](C)CC[C@@H](C)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919276 1132698251 /nfs/dbraw/zinc/69/82/51/1132698251.db2.gz DJMCBYZBZKEROU-CMPLNLGQSA-N 0 2 262.353 3.561 20 30 CHEDLN C/C=C/[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C1CCCCC1 ZINC001233919464 1132698554 /nfs/dbraw/zinc/69/85/54/1132698554.db2.gz SFVCILCRLXEXLW-NKPGBKMFSA-N 0 2 286.375 3.871 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H](C)CCCC(C)C)c1C#N ZINC001233919274 1132698617 /nfs/dbraw/zinc/69/86/17/1132698617.db2.gz CULVPWHTKYUWCS-GFCCVEGCSA-N 0 2 262.353 3.561 20 30 CHEDLN Cc1cc(NC2=C(C#N)C(=O)CS2)c(C)s1 ZINC001174421219 1132837090 /nfs/dbraw/zinc/83/70/90/1132837090.db2.gz PPUKDTXRBKCMMC-UHFFFAOYSA-N 0 2 250.348 3.747 20 30 CHEDLN N#Cc1cc(Nc2cccc(Cl)c2O)c(O)cc1F ZINC001210222994 1134171627 /nfs/dbraw/zinc/17/16/27/1134171627.db2.gz GNQBVHCTBJFREQ-UHFFFAOYSA-N 0 2 278.670 3.506 20 30 CHEDLN Cc1cnc(Nc2ccc(Cl)c(O)c2F)c(C#N)c1 ZINC001214796180 1134574285 /nfs/dbraw/zinc/57/42/85/1134574285.db2.gz IBKZARDBBQDAGJ-UHFFFAOYSA-N 0 2 277.686 3.503 20 30 CHEDLN Cc1noc2ccc(NC3=C(C#N)C(=O)CS3)cc12 ZINC001216638442 1134937156 /nfs/dbraw/zinc/93/71/56/1134937156.db2.gz KNOLFWIZKQNNMS-UHFFFAOYSA-N 0 2 271.301 3.519 20 30 CHEDLN C[C@H](CC(C)(C)S)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225884511 1135634001 /nfs/dbraw/zinc/63/40/01/1135634001.db2.gz HZDRCNAOZNZSTH-RXMQYKEDSA-N 0 2 298.301 3.814 20 30 CHEDLN O=C(/C=C/c1cccc(O)c1)c1cc(Cl)ccc1O ZINC000038921613 174159594 /nfs/dbraw/zinc/15/95/94/174159594.db2.gz BJLBUIYKSNQHQA-GQCTYLIASA-N 0 2 274.703 3.647 20 30 CHEDLN N#CC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCC1 ZINC000155531928 261102979 /nfs/dbraw/zinc/10/29/79/261102979.db2.gz JDWJHXDVUFUPMA-UHFFFAOYSA-N 0 2 299.157 3.721 20 30 CHEDLN CC[C@](C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000285502703 263093388 /nfs/dbraw/zinc/09/33/88/263093388.db2.gz AZTTUSNTQYRLBN-GFCCVEGCSA-N 0 2 287.146 3.577 20 30 CHEDLN CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CC23CCCC3)cc1 ZINC000571578206 328134986 /nfs/dbraw/zinc/13/49/86/328134986.db2.gz GSBXYTJSTKOJIY-SJORKVTESA-N 0 2 296.414 3.852 20 30 CHEDLN C=CCC1(CNC(=O)c2cc(F)c(O)c(F)c2)CCCC1 ZINC000456481345 331193385 /nfs/dbraw/zinc/19/33/85/331193385.db2.gz AZMBOUNQTBUKHG-UHFFFAOYSA-N 0 2 295.329 3.537 20 30 CHEDLN C=CCCC[C@H](C)OC(=O)c1cc(F)c(O)c(F)c1 ZINC000765487046 1118155157 /nfs/dbraw/zinc/15/51/57/1118155157.db2.gz OUIDVPOVEBMAMY-VIFPVBQESA-N 0 2 270.275 3.572 20 30 CHEDLN N#Cc1cccc(N)c1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210929968 1134328795 /nfs/dbraw/zinc/32/87/95/1134328795.db2.gz AOPCSZNBHDYKDD-UHFFFAOYSA-N 0 2 294.141 3.896 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)n1 ZINC000179376093 1126755924 /nfs/dbraw/zinc/75/59/24/1126755924.db2.gz GVFDUSIMMQWYFO-NEPJUHHUSA-N 0 2 276.405 3.844 20 30 CHEDLN CC(=NNC12CC(C1)C2)c1ccc(Cl)c(Cl)c1O ZINC000842546956 1128260136 /nfs/dbraw/zinc/26/01/36/1128260136.db2.gz QBIRXEVDUJVLER-UHFFFAOYSA-N 0 2 285.174 3.565 20 30 CHEDLN CC[C@@H]1CCCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000915113044 1128284276 /nfs/dbraw/zinc/28/42/76/1128284276.db2.gz MACFBDYGLCYGAX-HWSBYKFUSA-N 0 2 276.336 3.688 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cc3ccccc3o2)n1 ZINC000920104118 1128664739 /nfs/dbraw/zinc/66/47/39/1128664739.db2.gz OQUXHLYPXURBGW-CYBMUJFWSA-N 0 2 296.351 3.617 20 30 CHEDLN N#C[C@H](C(=O)CCC(F)(F)F)c1nc(C2CC2)cs1 ZINC000842940304 1118176436 /nfs/dbraw/zinc/17/64/36/1118176436.db2.gz AZCIZZRHLVIWCU-MRVPVSSYSA-N 0 2 288.294 3.539 20 30 CHEDLN CC[C@H](C)[C@@H](C(=O)Nc1nc(C)n[nH]1)c1ccccc1 ZINC000083683142 1118358704 /nfs/dbraw/zinc/35/87/04/1118358704.db2.gz URNUANJQFONHRJ-GXFFZTMASA-N 0 2 272.352 3.531 20 30 CHEDLN N#CC(C(=O)C1CC1)c1nc2cc(Cl)ccc2s1 ZINC000076606503 1128784786 /nfs/dbraw/zinc/78/47/86/1128784786.db2.gz MLNZEBDAQOJHTD-VIFPVBQESA-N 0 2 276.748 3.536 20 30 CHEDLN N#C[C@@H](C(=O)C1CC1)c1nc2cc(Cl)ccc2s1 ZINC000076606503 1128784789 /nfs/dbraw/zinc/78/47/89/1128784789.db2.gz MLNZEBDAQOJHTD-VIFPVBQESA-N 0 2 276.748 3.536 20 30 CHEDLN Cc1cncc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430597849 1118587298 /nfs/dbraw/zinc/58/72/98/1118587298.db2.gz BCOISMFVHVVFQZ-LBPRGKRZSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1cc[nH+]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430609721 1118615374 /nfs/dbraw/zinc/61/53/74/1118615374.db2.gz INRDLBVJBGNERN-LLVKDONJSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1ccncc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430609721 1118615376 /nfs/dbraw/zinc/61/53/76/1118615376.db2.gz INRDLBVJBGNERN-LLVKDONJSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000842677597 1128952402 /nfs/dbraw/zinc/95/24/02/1128952402.db2.gz FSEFYTVBOGVRBW-MGPQQGTHSA-N 0 2 288.416 3.844 20 30 CHEDLN CCOc1ccc(F)cc1NC1=C(C#N)C(=O)CS1 ZINC001175080161 1121175818 /nfs/dbraw/zinc/17/58/18/1121175818.db2.gz WTASBVCMYOYUAK-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN CCOc1cc(NC2=C(C#N)C(=O)CS2)c(F)cc1F ZINC001212529870 1121219400 /nfs/dbraw/zinc/21/94/00/1121219400.db2.gz XJKCUBMFLXMYBR-UHFFFAOYSA-N 0 2 296.298 3.746 20 30 CHEDLN Cn1ccc2c1cccc2NC1=C(C#N)C(=O)CS1 ZINC001175867055 1121485616 /nfs/dbraw/zinc/48/56/16/1121485616.db2.gz SCGVEKXDIOZHSS-UHFFFAOYSA-N 0 2 269.329 3.561 20 30 CHEDLN N#CC(C(=O)CCC1CCCC1)c1nc2ccccc2o1 ZINC000041545755 1122008839 /nfs/dbraw/zinc/00/88/39/1122008839.db2.gz USYWHJRPHZBFLG-CYBMUJFWSA-N 0 2 282.343 3.974 20 30 CHEDLN C=CCN(C(=O)c1ccc(F)c(F)c1O)C1CCCCC1 ZINC001192806964 1122658850 /nfs/dbraw/zinc/65/88/50/1122658850.db2.gz OCZKMDXVPSUNJS-UHFFFAOYSA-N 0 2 295.329 3.631 20 30 CHEDLN N#Cc1cccc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1O ZINC001193652377 1122706965 /nfs/dbraw/zinc/70/69/65/1122706965.db2.gz GKSHZZCNGAYGFJ-UHFFFAOYSA-N 0 2 296.301 3.533 20 30 CHEDLN C#CC[C@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000775789527 1122971303 /nfs/dbraw/zinc/97/13/03/1122971303.db2.gz RMJZRYMWNUISSA-HNNXBMFYSA-N 0 2 299.757 3.540 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCC2(C)C)n1 ZINC000850873979 1123307704 /nfs/dbraw/zinc/30/77/04/1123307704.db2.gz PUOVZCJILSLPIY-MNOVXSKESA-N 0 2 276.405 3.879 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1CCCC12CC2)c1nc(C2CC2)cs1 ZINC000860843993 1123753212 /nfs/dbraw/zinc/75/32/12/1123753212.db2.gz AHLRJBHVCQJCGW-NWDGAFQWSA-N 0 2 286.400 3.777 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1CCCC12CC2)c1nc(C2CC2)cs1 ZINC000860843995 1123753310 /nfs/dbraw/zinc/75/33/10/1123753310.db2.gz AHLRJBHVCQJCGW-VXGBXAGGSA-N 0 2 286.400 3.777 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC2(c3ccccc3)CC2)n1 ZINC000528910710 1124841635 /nfs/dbraw/zinc/84/16/35/1124841635.db2.gz UIMRCXQIAGLEJK-AWEZNQCLSA-N 0 2 296.395 3.750 20 30 CHEDLN C[C@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2O)C[C@H](C)C1 ZINC000739426360 1129403958 /nfs/dbraw/zinc/40/39/58/1129403958.db2.gz KMNIKXLAHOSRIV-OOIWVLDFSA-N 0 2 276.336 3.544 20 30 CHEDLN C=C(C)CCc1noc(-c2cccc(Cl)c2O)n1 ZINC000795763596 1129447825 /nfs/dbraw/zinc/44/78/25/1129447825.db2.gz AZVMMHAXBLLWFF-UHFFFAOYSA-N 0 2 264.712 3.604 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000741845675 1129456110 /nfs/dbraw/zinc/45/61/10/1129456110.db2.gz VIEUCVCOPHQGGB-UUMQHJJASA-N 0 2 288.347 3.688 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H]2CCCC(F)(F)C2)c1 ZINC000800721400 1129886015 /nfs/dbraw/zinc/88/60/15/1129886015.db2.gz MKQMKQYKZOIJBD-LGQZLYSRSA-N 0 2 298.289 3.545 20 30 CHEDLN CC(=NOC1CCC1)c1ccc(Cl)c(Cl)c1O ZINC000812236414 1130676666 /nfs/dbraw/zinc/67/66/66/1130676666.db2.gz LYKSYCNIPABCLM-UHFFFAOYSA-N 0 2 274.147 3.992 20 30 CHEDLN N#Cc1c[nH]c2cc(-c3c(F)cc(F)c(O)c3F)ccc12 ZINC001235997076 1130828123 /nfs/dbraw/zinc/82/81/23/1130828123.db2.gz ONGBOQBHRIJPMV-UHFFFAOYSA-N 0 2 288.228 3.829 20 30 CHEDLN Cc1ccc(F)c(-c2ncc(C#N)c3ccsc32)c1O ZINC001236390715 1130925493 /nfs/dbraw/zinc/92/54/93/1130925493.db2.gz HCWFUAJJNDGIME-UHFFFAOYSA-N 0 2 284.315 3.988 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C2CC(C)(C)C2)n1 ZINC000797094047 1130960285 /nfs/dbraw/zinc/96/02/85/1130960285.db2.gz OOFQOFVZERGSRN-NSHDSACASA-N 0 2 276.405 3.879 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2C[C@@H]2C2CC2)s1 ZINC000797572588 1130994072 /nfs/dbraw/zinc/99/40/72/1130994072.db2.gz CWVFKJBKBDHKFS-GRYCIOLGSA-N 0 2 288.416 3.663 20 30 CHEDLN C=CCN(Cc1c(F)cc(O)cc1F)C1CCCCC1 ZINC001144561821 1131659782 /nfs/dbraw/zinc/65/97/82/1131659782.db2.gz NTXZIZJTGYULLS-UHFFFAOYSA-N 0 2 281.346 3.991 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@]2(C)CCc3ccccc32)n1 ZINC000842678194 1132450480 /nfs/dbraw/zinc/45/04/80/1132450480.db2.gz ZWNRWKFWRHJMSG-DYVFJYSZSA-N 0 2 296.395 3.532 20 30 CHEDLN N#CC(C(=O)[C@H]1Cc2ccccc21)c1nc(C2CC2)cs1 ZINC000842942134 1132480188 /nfs/dbraw/zinc/48/01/88/1132480188.db2.gz WFZBLCUXUKVWOC-UONOGXRCSA-N 0 2 294.379 3.537 20 30 CHEDLN N#CC=C(O)c1ccccc1O[C@H]1CC2CCC1CC2 ZINC001233526123 1132632788 /nfs/dbraw/zinc/63/27/88/1132632788.db2.gz ZMHSBGZUHSVDTF-FVKWTLKZSA-N 0 2 269.344 3.740 20 30 CHEDLN CCC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@@H](C)CC ZINC001233915348 1132696971 /nfs/dbraw/zinc/69/69/71/1132696971.db2.gz JHJJVBJECMVXHK-GXFFZTMASA-N 0 2 262.353 3.561 20 30 CHEDLN CC[C@H](C[C@@H](C)CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915237 1132697623 /nfs/dbraw/zinc/69/76/23/1132697623.db2.gz BUNXPIACLGRUIQ-CMPLNLGQSA-N 0 2 262.353 3.561 20 30 CHEDLN N#CC1=C(Nc2cccc3cnccc32)SCC1=O ZINC001174136822 1132742982 /nfs/dbraw/zinc/74/29/82/1132742982.db2.gz ZDKZYMURDBVPMG-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN C=C(C)CONC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001164450805 1133219529 /nfs/dbraw/zinc/21/95/29/1133219529.db2.gz HDFZKWSKGUDTFE-UHFFFAOYSA-N 0 2 293.794 3.776 20 30 CHEDLN N#CC1=C(Nc2ccc3c(c2)C(=O)CCC3)SCC1=O ZINC001210931566 1134330683 /nfs/dbraw/zinc/33/06/83/1134330683.db2.gz RSXYDXIDWJQNKH-UHFFFAOYSA-N 0 2 284.340 3.588 20 30 CHEDLN CCOc1ccc(C)c(NC2=C(C#N)C(=O)CS2)c1 ZINC001216235743 1134816711 /nfs/dbraw/zinc/81/67/11/1134816711.db2.gz ATPAFVRCUJYCLI-UHFFFAOYSA-N 0 2 274.345 3.776 20 30 CHEDLN CCCc1sc(C(=O)[C@H](C#N)c2ccncn2)cc1CC ZINC000354461814 528806369 /nfs/dbraw/zinc/80/63/69/528806369.db2.gz GORBPXKGFGBVLS-GFCCVEGCSA-N 0 2 299.399 3.543 20 30 CHEDLN CCCc1sc(C(=O)C(C#N)c2ccncn2)cc1CC ZINC000354461814 528806371 /nfs/dbraw/zinc/80/63/71/528806371.db2.gz GORBPXKGFGBVLS-GFCCVEGCSA-N 0 2 299.399 3.543 20 30 CHEDLN CC(C)C[C@H](C/[NH+]=C\c1c(O)ccc2ccccc21)C(=O)[O-] ZINC000736403806 600816502 /nfs/dbraw/zinc/81/65/02/600816502.db2.gz KOKVTRMWCYPYOB-AXLWCPOOSA-N 0 2 299.370 3.711 20 30 CHEDLN CCCCCCCCCn1cc(C(=O)[O-])[nH+]c1C ZINC001595704372 982274079 /nfs/dbraw/zinc/27/40/79/982274079.db2.gz ISLXWVRHTRPGTL-UHFFFAOYSA-N 0 2 252.358 3.640 20 30 CHEDLN N#CC1=C(Nc2cccc(Cl)c2)SCC1=O ZINC001176222510 1121578675 /nfs/dbraw/zinc/57/86/75/1121578675.db2.gz WTFKWOLYHNXXIF-UHFFFAOYSA-N 0 2 250.710 3.722 20 30 CHEDLN Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000915981344 1128399720 /nfs/dbraw/zinc/39/97/20/1128399720.db2.gz QKJJTNWEEYHQAM-LICLKQGHSA-N 0 2 284.315 3.536 20 30 CHEDLN N#C[C@H](C(=O)C=C1CCCC1)c1nc2ccccc2s1 ZINC000918484297 1128548199 /nfs/dbraw/zinc/54/81/99/1128548199.db2.gz XAAMEXUOPXHYSV-GFCCVEGCSA-N 0 2 282.368 3.973 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@H]2CCCC[C@@H]2C)n1 ZINC000920788483 1128691354 /nfs/dbraw/zinc/69/13/54/1128691354.db2.gz CZQZJLYWIKRVTP-CYZMBNFOSA-N 0 2 276.405 3.844 20 30 CHEDLN N#CC1=C(Nc2cnc3sccc3c2)SCC1=O ZINC001210692256 1118367483 /nfs/dbraw/zinc/36/74/83/1118367483.db2.gz OFUQLBSSSUICJH-UHFFFAOYSA-N 0 2 273.342 3.679 20 30 CHEDLN CC[C@@H]1CCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000048456620 1118416524 /nfs/dbraw/zinc/41/65/24/1118416524.db2.gz MACFBDYGLCYGAX-RWJXEWCUSA-N 0 2 276.336 3.688 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)CC2CCC2)n1 ZINC000177756317 1118444505 /nfs/dbraw/zinc/44/45/05/1118444505.db2.gz QCMFCLHLXGTMMY-LLVKDONJSA-N 0 2 262.378 3.633 20 30 CHEDLN Cc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000255353911 1118661015 /nfs/dbraw/zinc/66/10/15/1118661015.db2.gz LEFMWKIFOPWLFF-CLFYSBASSA-N 0 2 283.283 3.505 20 30 CHEDLN O=C(/C=C\c1cnn2ccccc12)c1ccc(O)c(Cl)c1 ZINC000588480287 1118910987 /nfs/dbraw/zinc/91/09/87/1118910987.db2.gz PKNLWIPQUKOEAS-WAYWQWQTSA-N 0 2 298.729 3.589 20 30 CHEDLN CCCCN(CC#N)Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140831880 1119984507 /nfs/dbraw/zinc/98/45/07/1119984507.db2.gz AFRLQVWXFPNPAJ-UHFFFAOYSA-N 0 2 287.190 3.825 20 30 CHEDLN N#CC[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236796344 1128892153 /nfs/dbraw/zinc/89/21/53/1128892153.db2.gz OFMNUGGGBFQOGY-SNVBAGLBSA-N 0 2 299.201 3.825 20 30 CHEDLN Cc1ccccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000041545859 1120283912 /nfs/dbraw/zinc/28/39/12/1120283912.db2.gz LUJBIGBAWINOSL-CYBMUJFWSA-N 0 2 276.295 3.626 20 30 CHEDLN CCOc1ccc(NC2=C(C#N)C(=O)CS2)cc1C ZINC001175167422 1121214289 /nfs/dbraw/zinc/21/42/89/1121214289.db2.gz XUWSHGCQJIYYID-UHFFFAOYSA-N 0 2 274.345 3.776 20 30 CHEDLN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Cl)o3)[nH]c21 ZINC000345371437 1121877250 /nfs/dbraw/zinc/87/72/50/1121877250.db2.gz JXVKWMVCFYREDS-VIFPVBQESA-N 0 2 299.717 3.608 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H](C)CC(C)(C)C)n1 ZINC000773942837 1122076013 /nfs/dbraw/zinc/07/60/13/1122076013.db2.gz HVVHNUFVDVCDJI-KOLCDFICSA-N 0 2 264.394 3.700 20 30 CHEDLN C=C1CC=C(F)C=C1NC(=O)c1cc(Cl)c(F)cc1O ZINC001196477816 1122923081 /nfs/dbraw/zinc/92/30/81/1122923081.db2.gz HVOPYHFWIFJTCW-UHFFFAOYSA-N 0 2 297.688 3.612 20 30 CHEDLN CSCCON=C(C)c1ccc(Cl)c(Cl)c1O ZINC000794575064 1123904253 /nfs/dbraw/zinc/90/42/53/1123904253.db2.gz VWEGXHZVWGHNGL-UHFFFAOYSA-N 0 2 294.203 3.803 20 30 CHEDLN Cc1c[nH+]c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)c1 ZINC001122720775 1131302153 /nfs/dbraw/zinc/30/21/53/1131302153.db2.gz FRWZZKLAXJOBBK-GFCCVEGCSA-N 0 2 299.399 3.768 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC2(c3ccccc3)CC2)n1 ZINC000528910711 1124842499 /nfs/dbraw/zinc/84/24/99/1124842499.db2.gz UIMRCXQIAGLEJK-CQSZACIVSA-N 0 2 296.395 3.750 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)n1 ZINC000528966882 1124862752 /nfs/dbraw/zinc/86/27/52/1124862752.db2.gz OHBPSUAIHSOFQA-RMIQQSQVSA-N 0 2 288.416 3.735 20 30 CHEDLN Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000129525064 1125341526 /nfs/dbraw/zinc/34/15/26/1125341526.db2.gz FZIXUHLUYCVYOS-SOFGYWHQSA-N 0 2 283.283 3.505 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(Cc3ccccc3)CC2)n1 ZINC000092693659 1129404228 /nfs/dbraw/zinc/40/42/28/1129404228.db2.gz BBAXAUVWGQFWSA-AWEZNQCLSA-N 0 2 296.395 3.651 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2(Cc3ccccc3)CC2)n1 ZINC000092693659 1129404233 /nfs/dbraw/zinc/40/42/33/1129404233.db2.gz BBAXAUVWGQFWSA-AWEZNQCLSA-N 0 2 296.395 3.651 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000741465767 1129437027 /nfs/dbraw/zinc/43/70/27/1129437027.db2.gz YFXDNYOPPKVKAA-IGIWSDCRSA-N 0 2 288.347 3.688 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1C ZINC000303012278 1129519624 /nfs/dbraw/zinc/51/96/24/1129519624.db2.gz JUSYONRWAYPLQF-VMPITWQZSA-N 0 2 297.310 3.813 20 30 CHEDLN CCc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000254403532 1129692925 /nfs/dbraw/zinc/69/29/25/1129692925.db2.gz NSRFHBYMSZZJFQ-UHFFFAOYSA-N 0 2 270.288 3.613 20 30 CHEDLN Cc1ccc(-c2c(F)cc(F)c(O)c2F)c(C)c1C#N ZINC001236002910 1130828235 /nfs/dbraw/zinc/82/82/35/1130828235.db2.gz UTFXLYSFINLEJZ-UHFFFAOYSA-N 0 2 277.245 3.965 20 30 CHEDLN O/N=C1/CCc2cc(-c3c(F)cc(F)c(O)c3F)ccc21 ZINC001236000868 1130830570 /nfs/dbraw/zinc/83/05/70/1130830570.db2.gz YQXVOMKSXLUXID-UNOMPAQXSA-N 0 2 293.244 3.601 20 30 CHEDLN Cc1ccc(F)c(-c2ncc(C#N)c3ccccc32)c1O ZINC001236390338 1130925020 /nfs/dbraw/zinc/92/50/20/1130925020.db2.gz JJBVIAICDZPPFD-UHFFFAOYSA-N 0 2 278.286 3.927 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/CCCCc2ccccc2)c1 ZINC000798068801 1131023556 /nfs/dbraw/zinc/02/35/56/1131023556.db2.gz XEFUQOWQWMBWAM-QGOAFFKASA-N 0 2 298.342 3.742 20 30 CHEDLN C=CC[C@@H](CCCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972851 1131989699 /nfs/dbraw/zinc/98/96/99/1131989699.db2.gz DZSAQHQPZAPQAQ-NSHDSACASA-N 0 2 281.308 3.520 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)C2CCC2)n1 ZINC000838812234 1132149344 /nfs/dbraw/zinc/14/93/44/1132149344.db2.gz UWFPSPPSYHWDIS-CMPLNLGQSA-N 0 2 276.405 3.879 20 30 CHEDLN CCCCCCC[C@H](CC)n1[nH]c2ccnc(=O)c-2c1N ZINC001172356215 1132186151 /nfs/dbraw/zinc/18/61/51/1132186151.db2.gz GTQMBHJSIDEETD-LBPRGKRZSA-N 0 2 290.411 3.570 20 30 CHEDLN N#C[C@H](C(=O)C[C@@H]1C=CCC1)c1nc(C2CC2)cs1 ZINC000842938630 1132478709 /nfs/dbraw/zinc/47/87/09/1132478709.db2.gz OFURQHAQCZTVKV-ZYHUDNBSSA-N 0 2 272.373 3.553 20 30 CHEDLN C=C(C)[C@H]1CC=C(C)[C@H](Oc2[nH]c(=O)cc(C)c2C#N)C1 ZINC001233915707 1132696827 /nfs/dbraw/zinc/69/68/27/1132696827.db2.gz YSOLCMHCPPQURE-DZGCQCFKSA-N 0 2 284.359 3.647 20 30 CHEDLN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919466 1132698779 /nfs/dbraw/zinc/69/87/79/1132698779.db2.gz TZSCTKBPBBSXGE-OSAQELSMSA-N 0 2 286.375 3.727 20 30 CHEDLN C=C1CC=C(F)C=C1Nc1[nH]c2ncnc-2cc1Cl ZINC001160716266 1132979581 /nfs/dbraw/zinc/97/95/81/1132979581.db2.gz IKNNWKREEPUWNK-UHFFFAOYSA-N 0 2 276.702 3.720 20 30 CHEDLN N#Cc1ccc(C=CNc2ccc(S)cc2)cc1 ZINC001203305541 1133313073 /nfs/dbraw/zinc/31/30/73/1133313073.db2.gz JBQQARIMVCXTEP-MDZDMXLPSA-N 0 2 252.342 3.930 20 30 CHEDLN CC(C)(C)Oc1ncccc1NC1=C(C#N)C(=O)CS1 ZINC001206494815 1133710352 /nfs/dbraw/zinc/71/03/52/1133710352.db2.gz IYWGZRIIKNHKHI-UHFFFAOYSA-N 0 2 289.360 3.641 20 30 CHEDLN N#CC1=C(Nc2ccc3ccccc3n2)SCC1=O ZINC001210814399 1134302754 /nfs/dbraw/zinc/30/27/54/1134302754.db2.gz UYVJYQAVORZMJL-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN COc1cccc(C#N)c1Nc1ccc(Cl)c(O)c1F ZINC001214801314 1134574651 /nfs/dbraw/zinc/57/46/51/1134574651.db2.gz JDMLSVNHSDEIOD-UHFFFAOYSA-N 0 2 292.697 3.809 20 30 CHEDLN COCc1cc(C)c(NC2=C(C#N)C(=O)CS2)c(C)c1 ZINC001215529971 1134638563 /nfs/dbraw/zinc/63/85/63/1134638563.db2.gz COQLVIGWKAYHLE-UHFFFAOYSA-N 0 2 288.372 3.832 20 30 CHEDLN CSc1cc(NC2=C(C#N)C(=O)CS2)ccc1F ZINC001215794918 1134689314 /nfs/dbraw/zinc/68/93/14/1134689314.db2.gz ZCXVNHICTUJTOG-UHFFFAOYSA-N 0 2 280.349 3.930 20 30 CHEDLN N#Cc1cc(Nc2cc(Cl)cc3[nH]ncc32)ccc1O ZINC001215860836 1134705750 /nfs/dbraw/zinc/70/57/50/1134705750.db2.gz LLPIFGTTWMNGAC-UHFFFAOYSA-N 0 2 284.706 3.537 20 30 CHEDLN CCOc1cc(C)ccc1NC1=C(C#N)C(=O)CS1 ZINC001215875216 1134710748 /nfs/dbraw/zinc/71/07/48/1134710748.db2.gz RVCBHAXQUNJILZ-UHFFFAOYSA-N 0 2 274.345 3.776 20 30 CHEDLN Cc1c(CO)ccc(NC2=C(C#N)C(=O)CS2)c1Cl ZINC001216326608 1134856066 /nfs/dbraw/zinc/85/60/66/1134856066.db2.gz JBCMKMSTBXGHSI-UHFFFAOYSA-N 0 2 294.763 3.523 20 30 CHEDLN CCc1ccc(-c2noc(-c3cccc(C#N)c3O)n2)cc1 ZINC001216979981 1134957032 /nfs/dbraw/zinc/95/70/32/1134957032.db2.gz NSDYAQIQYPSWPS-UHFFFAOYSA-N 0 2 291.310 3.543 20 30 CHEDLN C=C[C@@H](CCCCC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620922 1135598286 /nfs/dbraw/zinc/59/82/86/1135598286.db2.gz XVRVLQRNGJMPRU-NSHDSACASA-N 0 2 265.309 3.814 20 30 CHEDLN C=C(C)C[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(=C)C ZINC001225625375 1135599235 /nfs/dbraw/zinc/59/92/35/1135599235.db2.gz JWQGDHBFCVZVCO-ZDUSSCGKSA-N 0 2 263.293 3.590 20 30 CHEDLN C=C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225625352 1135599411 /nfs/dbraw/zinc/59/94/11/1135599411.db2.gz JBMHQNKVOYQPQA-CYBMUJFWSA-N 0 2 271.272 3.607 20 30 CHEDLN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1F ZINC000171482371 329076344 /nfs/dbraw/zinc/07/63/44/329076344.db2.gz HJNSHSWEGMRXMD-LBPRGKRZSA-N 0 2 294.285 3.765 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1F ZINC000171482371 329076346 /nfs/dbraw/zinc/07/63/46/329076346.db2.gz HJNSHSWEGMRXMD-LBPRGKRZSA-N 0 2 294.285 3.765 20 30 CHEDLN CC(C)(CCC#N)CNc1nc(C2CCCCC2)ns1 ZINC000420641699 329780692 /nfs/dbraw/zinc/78/06/92/329780692.db2.gz SYPQMLBIICPPIP-UHFFFAOYSA-N 0 2 292.452 3.750 20 30 CHEDLN C=CCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000125121722 333563993 /nfs/dbraw/zinc/56/39/93/333563993.db2.gz GGGOXYLGZBYEDB-UHFFFAOYSA-N 0 2 260.120 3.604 20 30 CHEDLN N#C[C@@H](C(=O)CCC(F)(F)F)c1nc(C2CC2)cs1 ZINC000842940305 1118175932 /nfs/dbraw/zinc/17/59/32/1118175932.db2.gz AZCIZZRHLVIWCU-QMMMGPOBSA-N 0 2 288.294 3.539 20 30 CHEDLN C=CCCC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC000855299264 1123514354 /nfs/dbraw/zinc/51/43/54/1123514354.db2.gz JPMAYQNMXZNMOK-JTQLQIEISA-N 0 2 281.293 3.530 20 30 CHEDLN C=CCCC1(CNC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC000855299264 1123514358 /nfs/dbraw/zinc/51/43/58/1123514358.db2.gz JPMAYQNMXZNMOK-JTQLQIEISA-N 0 2 281.293 3.530 20 30 CHEDLN CCCN(CCC#N)Cc1cccc(C(F)(F)F)c1O ZINC001233418370 1132618764 /nfs/dbraw/zinc/61/87/64/1132618764.db2.gz DJYCUKIPSWHAQA-UHFFFAOYSA-N 0 2 286.297 3.537 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC(C)(C)c2ccccc2)n1 ZINC000067785523 1125788365 /nfs/dbraw/zinc/78/83/65/1125788365.db2.gz HBEKOCHXMDESMN-AWEZNQCLSA-N 0 2 298.411 3.996 20 30 CHEDLN Cc1occc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000361527194 1127569789 /nfs/dbraw/zinc/56/97/89/1127569789.db2.gz QUVKHPFGBVKQKI-HNNXBMFYSA-N 0 2 276.295 3.626 20 30 CHEDLN Cc1ccccc1C[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000917556873 1128507034 /nfs/dbraw/zinc/50/70/34/1128507034.db2.gz QDHVQRGDUQBWHQ-FHXOWUIVSA-N 0 2 298.342 3.659 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C[C@@H](C)c2ccccc2)n1 ZINC000041521804 1128546292 /nfs/dbraw/zinc/54/62/92/1128546292.db2.gz QQSCGQRJELOZJV-RISCZKNCSA-N 0 2 284.384 3.822 20 30 CHEDLN CCc1sc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cc1C ZINC000041574831 1128548045 /nfs/dbraw/zinc/54/80/45/1128548045.db2.gz ZYIHVGUZFRLARQ-LBPRGKRZSA-N 0 2 299.399 3.516 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C2CCCCCCC2)c1 ZINC000920942393 1128695459 /nfs/dbraw/zinc/69/54/59/1128695459.db2.gz BWLCJYPUJVAGGV-WJDWOHSUSA-N 0 2 276.336 3.832 20 30 CHEDLN CCCCCCCCCCC[C@H](C)[NH2+]CS(=O)(=O)[O-] ZINC001258052827 1128705142 /nfs/dbraw/zinc/70/51/42/1128705142.db2.gz SZKHXLBVEJGMNQ-AWEZNQCLSA-N 0 2 293.473 3.731 20 30 CHEDLN CCc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)s1 ZINC000048501863 1128713992 /nfs/dbraw/zinc/71/39/92/1128713992.db2.gz OXQFHEZMYOQLQD-OVCLIPMQSA-N 0 2 290.344 3.543 20 30 CHEDLN N#CC(=C(O)C=C(C1CC1)C1CC1)c1nc(C2CC2)cs1 ZINC000842943394 1118176251 /nfs/dbraw/zinc/17/62/51/1118176251.db2.gz WAIDDKFVFMLUQI-CQSZACIVSA-N 0 2 298.411 3.943 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H](C)c2cccc(F)c2)n1 ZINC000076763627 1128788084 /nfs/dbraw/zinc/78/80/84/1128788084.db2.gz GOHQIOHEMRRFBJ-GWCFXTLKSA-N 0 2 288.347 3.571 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H](C)c2cccc(F)c2)n1 ZINC000076763627 1128788091 /nfs/dbraw/zinc/78/80/91/1128788091.db2.gz GOHQIOHEMRRFBJ-GWCFXTLKSA-N 0 2 288.347 3.571 20 30 CHEDLN CC(=NOC(C)C)c1ccc(Cl)c(Cl)c1O ZINC000834999447 1118747038 /nfs/dbraw/zinc/74/70/38/1118747038.db2.gz BRLWIDQEXOJNAT-UHFFFAOYSA-N 0 2 262.136 3.848 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000835038296 1118811885 /nfs/dbraw/zinc/81/18/85/1118811885.db2.gz VHOOAZGCZWRUSW-XKAARJIMSA-N 0 2 276.405 3.700 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c(O)c1 ZINC000255405377 1118843073 /nfs/dbraw/zinc/84/30/73/1118843073.db2.gz MGRUEBAEYSTWIX-HYXAFXHYSA-N 0 2 269.325 3.530 20 30 CHEDLN N#CC(C(=O)c1ccc(F)s1)c1nc(C2CC2)cs1 ZINC000659116421 1120015769 /nfs/dbraw/zinc/01/57/69/1120015769.db2.gz VCMRNIAYDOGQQM-QMMMGPOBSA-N 0 2 292.360 3.711 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C2=CCCCC2)n1 ZINC000124594020 1120668435 /nfs/dbraw/zinc/66/84/35/1120668435.db2.gz XIAPJVQODXWDNL-GFCCVEGCSA-N 0 2 274.389 3.943 20 30 CHEDLN CCOc1cccc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001175224113 1121230996 /nfs/dbraw/zinc/23/09/96/1121230996.db2.gz QRSYRSYNILPSAQ-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN CCC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000729149725 1121757917 /nfs/dbraw/zinc/75/79/17/1121757917.db2.gz OGWROWSWZGZXOK-JVVDOCDTSA-N 0 2 299.330 3.656 20 30 CHEDLN Cc1ccc2c(c1)[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000730146974 1121795332 /nfs/dbraw/zinc/79/53/32/1121795332.db2.gz IYGCHKQNVBNJRL-VHWUNXFSSA-N 0 2 296.326 3.715 20 30 CHEDLN C=CCNN=C(CC)c1cc(Cl)cc(Cl)c1O ZINC000794998541 1124459933 /nfs/dbraw/zinc/45/99/33/1124459933.db2.gz LEADLQRQMWJIRX-UHFFFAOYSA-N 0 2 273.163 3.589 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2cc(C)c(C)s2)n1 ZINC000041520953 1125433797 /nfs/dbraw/zinc/43/37/97/1125433797.db2.gz QGQPWWQTKYJSCE-SNVBAGLBSA-N 0 2 276.386 3.620 20 30 CHEDLN Cc1cc(F)c2[nH]ccc2c1NC1=C(C#N)C(=O)CS1 ZINC001212974364 1129702166 /nfs/dbraw/zinc/70/21/66/1129702166.db2.gz VOILBEUMGZVIGS-UHFFFAOYSA-N 0 2 287.319 3.998 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2ccc(Cl)s2)n1 ZINC000802033130 1129968512 /nfs/dbraw/zinc/96/85/12/1129968512.db2.gz ZAIUSGHHQPEDOL-VIFPVBQESA-N 0 2 296.804 3.585 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)Cc2ccc(Cl)s2)n1 ZINC000802033130 1129968516 /nfs/dbraw/zinc/96/85/16/1129968516.db2.gz ZAIUSGHHQPEDOL-VIFPVBQESA-N 0 2 296.804 3.585 20 30 CHEDLN CC(=NNCC(C)C)c1ccc(Cl)c(Cl)c1O ZINC000771568348 1129984991 /nfs/dbraw/zinc/98/49/91/1129984991.db2.gz ZDOZNICLEZTHTJ-UHFFFAOYSA-N 0 2 275.179 3.669 20 30 CHEDLN C=C(C)CNN=C(C)c1ccc(Cl)c(Cl)c1O ZINC000811650471 1130628968 /nfs/dbraw/zinc/62/89/68/1130628968.db2.gz AYJSGKCUYZNKRR-UHFFFAOYSA-N 0 2 273.163 3.589 20 30 CHEDLN CC(C)[C@H](F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000784507159 1130908217 /nfs/dbraw/zinc/90/82/17/1130908217.db2.gz RIJIDQKDMKDFDM-CABZTGNLSA-N 0 2 294.326 3.606 20 30 CHEDLN Cc1ccc(F)c(-c2cc(C(F)(F)F)c(C#N)cn2)c1O ZINC001236392391 1130926961 /nfs/dbraw/zinc/92/69/61/1130926961.db2.gz OPSRWERVJHRRRD-UHFFFAOYSA-N 0 2 296.223 3.792 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CC=CCC2)s1 ZINC000797570378 1130993512 /nfs/dbraw/zinc/99/35/12/1130993512.db2.gz GKIOKBGBPSGPAN-VXGBXAGGSA-N 0 2 288.416 3.973 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000797785131 1131002257 /nfs/dbraw/zinc/00/22/57/1131002257.db2.gz UTPWEZVLFMTYIL-LALNJWKFSA-N 0 2 296.326 3.666 20 30 CHEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)C(F)=C1CCCC1 ZINC000815897961 1131031814 /nfs/dbraw/zinc/03/18/14/1131031814.db2.gz NMUKAWADWJHXLY-GFCCVEGCSA-N 0 2 297.333 3.547 20 30 CHEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)C(F)=C3CCCC3)nc21 ZINC000815954919 1131038923 /nfs/dbraw/zinc/03/89/23/1131038923.db2.gz NVRQFXGBCQWTRF-LBPRGKRZSA-N 0 2 297.333 3.845 20 30 CHEDLN Cc1cccc2nc([C@@H](C#N)C(=O)C(F)=C3CCCC3)[nH]c21 ZINC000815954919 1131038926 /nfs/dbraw/zinc/03/89/26/1131038926.db2.gz NVRQFXGBCQWTRF-LBPRGKRZSA-N 0 2 297.333 3.845 20 30 CHEDLN N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1nc(C2CC2)cs1 ZINC000842941517 1132480804 /nfs/dbraw/zinc/48/08/04/1132480804.db2.gz ARSPPXIYEVAECI-MROQNXINSA-N 0 2 286.400 3.633 20 30 CHEDLN N#CC(=C(O)C=C1CCCC1)c1nc(C2CC2)cs1 ZINC000842943242 1132480824 /nfs/dbraw/zinc/48/08/24/1132480824.db2.gz UCGSLVOGTOJJNV-LBPRGKRZSA-N 0 2 272.373 3.697 20 30 CHEDLN N#C[C@@H](C(=O)C1=CCCCC1)c1nc(C2CC2)cs1 ZINC000842944061 1132481607 /nfs/dbraw/zinc/48/16/07/1132481607.db2.gz ICEBBBJMIHGDPZ-LBPRGKRZSA-N 0 2 272.373 3.697 20 30 CHEDLN N#CC(=C(O)C1=CCCCC1)c1nc(C2CC2)cs1 ZINC000842944061 1132481612 /nfs/dbraw/zinc/48/16/12/1132481612.db2.gz ICEBBBJMIHGDPZ-LBPRGKRZSA-N 0 2 272.373 3.697 20 30 CHEDLN CC1(C#N)CCN(Cc2ccc(Cl)c(O)c2Cl)CC1 ZINC001232627528 1132498836 /nfs/dbraw/zinc/49/88/36/1132498836.db2.gz IZHFOBRHXAJJJG-UHFFFAOYSA-N 0 2 299.201 3.825 20 30 CHEDLN CCC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@@H](C)CC ZINC001233915347 1132697071 /nfs/dbraw/zinc/69/70/71/1132697071.db2.gz JHJJVBJECMVXHK-GWCFXTLKSA-N 0 2 262.353 3.561 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H]2C[C@@H](C)CC(C)(C)C2)c1C#N ZINC001233915249 1132697247 /nfs/dbraw/zinc/69/72/47/1132697247.db2.gz COLZVSVCAYEVKY-PWSUYJOCSA-N 0 2 274.364 3.561 20 30 CHEDLN CCC[C@H](C)[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)C ZINC001233919292 1132698809 /nfs/dbraw/zinc/69/88/09/1132698809.db2.gz DWDZOVQEILFXAD-NHYWBVRUSA-N 0 2 276.380 3.807 20 30 CHEDLN Cc1nc2cc(NC3=C(C#N)C(=O)CS3)ccc2s1 ZINC001213036258 1133032351 /nfs/dbraw/zinc/03/23/51/1133032351.db2.gz GOBJVELNRDXSEI-UHFFFAOYSA-N 0 2 287.369 3.987 20 30 CHEDLN N#Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC001210401786 1134209339 /nfs/dbraw/zinc/20/93/39/1134209339.db2.gz ZYGQASRLXXESHR-UHFFFAOYSA-N 0 2 289.678 3.569 20 30 CHEDLN Cc1cc2cc(NC3=C(C#N)C(=O)CS3)ccc2[nH]1 ZINC001213787123 1134483522 /nfs/dbraw/zinc/48/35/22/1134483522.db2.gz ONPSLARRNMIMLI-UHFFFAOYSA-N 0 2 269.329 3.859 20 30 CHEDLN N#Cc1ccsc1Nc1ccc(Cl)c(O)c1F ZINC001214791539 1134574103 /nfs/dbraw/zinc/57/41/03/1134574103.db2.gz WQCUMYLANDNFOM-UHFFFAOYSA-N 0 2 268.700 3.861 20 30 CHEDLN COCc1ccc(Cl)c(NC2=C(C#N)C(=O)CS2)c1 ZINC001215595718 1134650085 /nfs/dbraw/zinc/65/00/85/1134650085.db2.gz OWAXIDRXPBHUNI-UHFFFAOYSA-N 0 2 294.763 3.869 20 30 CHEDLN CC(C)c1cc(NC2=C(C#N)C(=O)CS2)ccc1N ZINC001216043232 1134759425 /nfs/dbraw/zinc/75/94/25/1134759425.db2.gz BDRZAIDUFWKLGB-UHFFFAOYSA-N 0 2 273.361 3.775 20 30 CHEDLN CC#CC[C@@H](CC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225885317 1135634114 /nfs/dbraw/zinc/63/41/14/1135634114.db2.gz LEHSGVJLLHUFCH-SSDOTTSWSA-N 0 2 276.229 3.519 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H](C)c2cccc(Cl)c2)c1C#N ZINC001226223771 1135673986 /nfs/dbraw/zinc/67/39/86/1135673986.db2.gz UEKKZCLUYNVCMN-JTQLQIEISA-N 0 2 288.734 3.761 20 30 CHEDLN CC(C)n1cccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000179611546 260058272 /nfs/dbraw/zinc/05/82/72/260058272.db2.gz XHXJVUGZWUWOKG-GFCCVEGCSA-N 0 2 293.326 3.700 20 30 CHEDLN CC(C)n1cccc1C(O)=C(C#N)c1nc2ccccc2o1 ZINC000179611546 260058274 /nfs/dbraw/zinc/05/82/74/260058274.db2.gz XHXJVUGZWUWOKG-GFCCVEGCSA-N 0 2 293.326 3.700 20 30 CHEDLN Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(F)cc1O ZINC000281054474 263066223 /nfs/dbraw/zinc/06/62/23/263066223.db2.gz SULKJEYRHZJOEK-QPJJXVBHSA-N 0 2 288.322 3.513 20 30 CHEDLN C=CCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000220320315 333165247 /nfs/dbraw/zinc/16/52/47/333165247.db2.gz FWKSVBSGSBWLGS-UHFFFAOYSA-N 0 2 260.120 3.604 20 30 CHEDLN Cc1cc(F)cc(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000076842861 334090091 /nfs/dbraw/zinc/09/00/91/334090091.db2.gz ZYNDARCTDLNLTL-CYBMUJFWSA-N 0 2 294.285 3.765 20 30 CHEDLN C=C(C)C[C@@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)C(=O)[O-] ZINC001573324611 962787656 /nfs/dbraw/zinc/78/76/56/962787656.db2.gz VUGFCCNKEWICQB-CYBMUJFWSA-N 0 2 291.395 3.555 20 30 CHEDLN N#CC(=C(O)C=Cc1ccccc1)c1nc2ccccc2o1 ZINC000054735117 1127138106 /nfs/dbraw/zinc/13/81/06/1127138106.db2.gz GBSIUMKICADNDN-PLSXKVAHSA-N 0 2 288.306 3.717 20 30 CHEDLN N#CC(C(=O)C=Cc1ccccc1)c1nc2ccccc2o1 ZINC000054735117 1127138108 /nfs/dbraw/zinc/13/81/08/1127138108.db2.gz GBSIUMKICADNDN-PLSXKVAHSA-N 0 2 288.306 3.717 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2ncsc2C(C)C)n1 ZINC000355116555 1127319121 /nfs/dbraw/zinc/31/91/21/1127319121.db2.gz GXCCXCDERYOYCO-VIFPVBQESA-N 0 2 291.401 3.522 20 30 CHEDLN CC[C@@H](C)C[C@@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915240 1128065065 /nfs/dbraw/zinc/06/50/65/1128065065.db2.gz BUNXPIACLGRUIQ-ZYHUDNBSSA-N 0 2 262.353 3.561 20 30 CHEDLN CCC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)(C)C ZINC001233915380 1128065750 /nfs/dbraw/zinc/06/57/50/1128065750.db2.gz KKQWJGUNVSGKKX-LBPRGKRZSA-N 0 2 262.353 3.561 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccc(Cl)s2)c1 ZINC000914557901 1128209488 /nfs/dbraw/zinc/20/94/88/1128209488.db2.gz OHHFEXIRDOIAFB-NSIKDUERSA-N 0 2 296.735 3.634 20 30 CHEDLN N#C[C@@H](C(=O)CC1CC1)c1nc(-c2ccccc2)cs1 ZINC000915101977 1128282822 /nfs/dbraw/zinc/28/28/22/1128282822.db2.gz LWBOMMXAECCHJH-ZDUSSCGKSA-N 0 2 282.368 3.786 20 30 CHEDLN C=CCCC[C@H](C)NC(=O)c1cccc(Cl)c1O ZINC001127429014 1128497087 /nfs/dbraw/zinc/49/70/87/1128497087.db2.gz AMXBBZAEWGMTKL-JTQLQIEISA-N 0 2 267.756 3.520 20 30 CHEDLN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041545225 1128547751 /nfs/dbraw/zinc/54/77/51/1128547751.db2.gz TZUPRMKQQCCFJB-CYBMUJFWSA-N 0 2 276.295 3.626 20 30 CHEDLN CCc1sc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)cc1C ZINC000041574832 1128548493 /nfs/dbraw/zinc/54/84/93/1128548493.db2.gz ZYIHVGUZFRLARQ-GFCCVEGCSA-N 0 2 299.399 3.516 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)o1 ZINC000048853263 1128732686 /nfs/dbraw/zinc/73/26/86/1128732686.db2.gz VJCLYNKVESSCKI-CYBMUJFWSA-N 0 2 276.295 3.626 20 30 CHEDLN N#Cc1ccccc1/C=C\C(=O)Nc1cccc(Cl)c1O ZINC000255031325 1118002567 /nfs/dbraw/zinc/00/25/67/1118002567.db2.gz UUVONMGNKMNEBB-HJWRWDBZSA-N 0 2 298.729 3.569 20 30 CHEDLN CC(C)n1cc(/C=C\C(=O)c2cc(Cl)ccc2O)cn1 ZINC000255060965 1118173040 /nfs/dbraw/zinc/17/30/40/1118173040.db2.gz OZGLHNMKFOFPKQ-HYXAFXHYSA-N 0 2 290.750 3.719 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccoc2)s1 ZINC000430614939 1118622765 /nfs/dbraw/zinc/62/27/65/1118622765.db2.gz ANUFVTWGHBYVPE-JTQLQIEISA-N 0 2 274.345 3.524 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000835038294 1118812013 /nfs/dbraw/zinc/81/20/13/1118812013.db2.gz VHOOAZGCZWRUSW-FPQZTECRSA-N 0 2 276.405 3.700 20 30 CHEDLN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3o2)c1C ZINC000041545680 1120284028 /nfs/dbraw/zinc/28/40/28/1120284028.db2.gz MJIQXYFKDQZEHW-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN C=C(C)CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC001353629705 1120414280 /nfs/dbraw/zinc/41/42/80/1120414280.db2.gz BVOPDJQKSMWVCP-UHFFFAOYSA-N 0 2 274.147 3.994 20 30 CHEDLN CC(CCC1CCCCC1)=NNc1cnnc(O)c1Cl ZINC000731926264 1121896110 /nfs/dbraw/zinc/89/61/10/1121896110.db2.gz TVSPCLVLTWQZPF-UHFFFAOYSA-N 0 2 296.802 3.984 20 30 CHEDLN CCc1ccc(F)cc1C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000633894504 1129093267 /nfs/dbraw/zinc/09/32/67/1129093267.db2.gz KMPXUDSLVYAOOD-CYBMUJFWSA-N 0 2 288.347 3.643 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2sc(C)cc2C)n1 ZINC000633894549 1129093515 /nfs/dbraw/zinc/09/35/15/1129093515.db2.gz MFNGENUCOJZDFH-SNVBAGLBSA-N 0 2 276.386 3.620 20 30 CHEDLN CC(C[C@H](C)CC(C)C)=NNc1cnnc(O)c1Cl ZINC000779765977 1129104665 /nfs/dbraw/zinc/10/46/65/1129104665.db2.gz BYGATUGSDKWMSX-SECBINFHSA-N 0 2 284.791 3.696 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2CCC(C3CC3)CC2)n1 ZINC000850737580 1123297229 /nfs/dbraw/zinc/29/72/29/1123297229.db2.gz YBEGTUMMYUSWOO-JXQTWKCFSA-N 0 2 288.416 3.844 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000850874195 1123307338 /nfs/dbraw/zinc/30/73/38/1123307338.db2.gz VTCGPRUKBPDNHN-UMSGYPCISA-N 0 2 288.416 3.879 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)c2cccs2)n1 ZINC000115901023 1123634461 /nfs/dbraw/zinc/63/44/61/1123634461.db2.gz ITZXSFQOCMCWLG-SNVBAGLBSA-N 0 2 290.413 3.667 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC000870226117 1124550388 /nfs/dbraw/zinc/55/03/88/1124550388.db2.gz ZSVNMHRGXRIJQD-SYLRKERUSA-N 0 2 288.416 3.735 20 30 CHEDLN N#CC(=C(O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381390 1131313347 /nfs/dbraw/zinc/31/33/47/1131313347.db2.gz ICIHQHFHIZWIKC-KTRBRXNASA-N 0 2 290.313 3.673 20 30 CHEDLN N#CC(C(=O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381390 1131313353 /nfs/dbraw/zinc/31/33/53/1131313353.db2.gz ICIHQHFHIZWIKC-KTRBRXNASA-N 0 2 290.313 3.673 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(C)CCC(F)(F)CC2)n1 ZINC000528909323 1124841275 /nfs/dbraw/zinc/84/12/75/1124841275.db2.gz NOMBFJXEFIDLJT-SNVBAGLBSA-N 0 2 298.358 3.843 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2(C)CCC(F)(F)CC2)n1 ZINC000528909323 1124841284 /nfs/dbraw/zinc/84/12/84/1124841284.db2.gz NOMBFJXEFIDLJT-SNVBAGLBSA-N 0 2 298.358 3.843 20 30 CHEDLN Cc1cc(C(=O)[C@@H](C#N)c2nc3c(cccc3C)[nH]2)oc1C ZINC000532267797 1125244882 /nfs/dbraw/zinc/24/48/82/1125244882.db2.gz FXBDONVBZKWHMQ-GFCCVEGCSA-N 0 2 293.326 3.571 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CC(F)(F)C2)s1 ZINC000797571861 1130993922 /nfs/dbraw/zinc/99/39/22/1130993922.db2.gz WGRFQZSYGYEEMX-VIFPVBQESA-N 0 2 298.358 3.662 20 30 CHEDLN C=CCC(C)(C)c1noc(-c2cccc(Cl)c2O)n1 ZINC000815704749 1131019859 /nfs/dbraw/zinc/01/98/59/1131019859.db2.gz OOYVTVZPUMJOBK-UHFFFAOYSA-N 0 2 278.739 3.949 20 30 CHEDLN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc2ccccc2s1 ZINC000845438568 1131634197 /nfs/dbraw/zinc/63/41/97/1131634197.db2.gz RDPRXDCXBPNAPW-XQQFMLRXSA-N 0 2 296.395 3.909 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc2ccccc2s1 ZINC000845438568 1131634207 /nfs/dbraw/zinc/63/42/07/1131634207.db2.gz RDPRXDCXBPNAPW-XQQFMLRXSA-N 0 2 296.395 3.909 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC000845480619 1131638970 /nfs/dbraw/zinc/63/89/70/1131638970.db2.gz JHMBPNNXWVZHOC-XQQFMLRXSA-N 0 2 288.416 3.879 20 30 CHEDLN N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1nc2ccccc2s1 ZINC000835040248 1131763014 /nfs/dbraw/zinc/76/30/14/1131763014.db2.gz OOPJNMWETNUGHX-WUHRBBMRSA-N 0 2 296.395 3.909 20 30 CHEDLN C=CC[C@H](Oc1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC001228697783 1131936652 /nfs/dbraw/zinc/93/66/52/1131936652.db2.gz LTWWIOAMUMIZDA-HNNXBMFYSA-N 0 2 292.342 3.563 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC=CCC1)c1nc(C2CC2)cs1 ZINC000842939512 1132480480 /nfs/dbraw/zinc/48/04/80/1132480480.db2.gz VMPMTZRKPNASCR-VXGBXAGGSA-N 0 2 272.373 3.553 20 30 CHEDLN N#CC(C(=O)Cc1ccsc1)c1nc(C2CC2)cs1 ZINC000842940124 1132480683 /nfs/dbraw/zinc/48/06/83/1132480683.db2.gz XQEMPBJKPGPQEY-NSHDSACASA-N 0 2 288.397 3.501 20 30 CHEDLN N#C[C@@H](C(=O)Cc1ccsc1)c1nc(C2CC2)cs1 ZINC000842940124 1132480687 /nfs/dbraw/zinc/48/06/87/1132480687.db2.gz XQEMPBJKPGPQEY-NSHDSACASA-N 0 2 288.397 3.501 20 30 CHEDLN N#Cc1cnc(Nc2ccc(Cl)c(O)c2F)c(Cl)c1 ZINC001214794045 1132552120 /nfs/dbraw/zinc/55/21/20/1132552120.db2.gz WMWMBGAVHKHUAS-UHFFFAOYSA-N 0 2 298.104 3.848 20 30 CHEDLN CC[C@@H](C)CC[C@H](C)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919279 1132698191 /nfs/dbraw/zinc/69/81/91/1132698191.db2.gz DJMCBYZBZKEROU-PWSUYJOCSA-N 0 2 262.353 3.561 20 30 CHEDLN N#CC1=C(Nc2cccc3[nH]ccc32)SCC1=O ZINC001174645355 1132938228 /nfs/dbraw/zinc/93/82/28/1132938228.db2.gz GYXLFSPYZFEYKZ-UHFFFAOYSA-N 0 2 255.302 3.550 20 30 CHEDLN O/N=C/c1ccc(-c2c(F)cc(F)c(F)c2F)cc1F ZINC001205192153 1133544506 /nfs/dbraw/zinc/54/45/06/1133544506.db2.gz WEQJYXSIBLJRCX-PTXOJBNSSA-N 0 2 287.187 3.857 20 30 CHEDLN CCCOc1ccc(NC2=C(C#N)C(=O)CS2)cc1 ZINC001209866290 1134089778 /nfs/dbraw/zinc/08/97/78/1134089778.db2.gz AOQBDXVGHGFUED-UHFFFAOYSA-N 0 2 274.345 3.858 20 30 CHEDLN N#Cc1ccc(Nc2ccc(Cl)c(O)c2F)cc1F ZINC001214801504 1134575416 /nfs/dbraw/zinc/57/54/16/1134575416.db2.gz MZSWWIJMUPFUTP-UHFFFAOYSA-N 0 2 280.661 3.939 20 30 CHEDLN CSc1ncc(NC2=C(C#N)C(=O)CS2)cc1Cl ZINC001216026498 1134753050 /nfs/dbraw/zinc/75/30/50/1134753050.db2.gz MWXTZUKGYGRJDV-UHFFFAOYSA-N 0 2 297.792 3.839 20 30 CHEDLN N#Cc1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1O ZINC001216979757 1134957062 /nfs/dbraw/zinc/95/70/62/1134957062.db2.gz IRCGVCNOZOJOHA-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN Cc1cc(F)ccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000178468727 261394268 /nfs/dbraw/zinc/39/42/68/261394268.db2.gz DBJRTMPZTRWBSN-ZDUSSCGKSA-N 0 2 294.285 3.765 20 30 CHEDLN Cc1cc(F)ccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178468727 261394269 /nfs/dbraw/zinc/39/42/69/261394269.db2.gz DBJRTMPZTRWBSN-ZDUSSCGKSA-N 0 2 294.285 3.765 20 30 CHEDLN N#C[C@@H](C(=O)c1cc[nH]c1C1CC1)c1nc2ccccc2o1 ZINC000340367773 263120085 /nfs/dbraw/zinc/12/00/85/263120085.db2.gz ZTLLXQSUSVKHPP-LBPRGKRZSA-N 0 2 291.310 3.523 20 30 CHEDLN C=C(C)C[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710566 1117900601 /nfs/dbraw/zinc/90/06/01/1117900601.db2.gz VDFSQMQCSJMBMN-JTQLQIEISA-N 0 2 263.772 3.785 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2CCCCCC2)n1 ZINC000102115457 1122882233 /nfs/dbraw/zinc/88/22/33/1122882233.db2.gz WBZROILROUJMTO-GFCCVEGCSA-N 0 2 262.378 3.598 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)c2cccs2)n1 ZINC000115901020 1123633902 /nfs/dbraw/zinc/63/39/02/1123633902.db2.gz ITZXSFQOCMCWLG-JTQLQIEISA-N 0 2 290.413 3.667 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)n1 ZINC000179376104 1126755862 /nfs/dbraw/zinc/75/58/62/1126755862.db2.gz GVFDUSIMMQWYFO-VXGBXAGGSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2CCCCCCC2)n1 ZINC000076763296 1127549570 /nfs/dbraw/zinc/54/95/70/1127549570.db2.gz PUTPIBUVFBGEGH-CYBMUJFWSA-N 0 2 276.405 3.988 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nccc3ccccc32)c(C)o1 ZINC000361519869 1127568971 /nfs/dbraw/zinc/56/89/71/1127568971.db2.gz QQUULVNZLPUKPM-MRXNPFEDSA-N 0 2 290.322 3.935 20 30 CHEDLN CCC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)(C)C ZINC001233915376 1128065547 /nfs/dbraw/zinc/06/55/47/1128065547.db2.gz KKQWJGUNVSGKKX-GFCCVEGCSA-N 0 2 262.353 3.561 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccc(Cl)cc2)c1 ZINC000920943496 1128695593 /nfs/dbraw/zinc/69/55/93/1128695593.db2.gz LUZABLAFDCGVCV-SXGWCWSVSA-N 0 2 290.706 3.573 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCCC[C@H]2C)n1 ZINC000920788484 1128691381 /nfs/dbraw/zinc/69/13/81/1128691381.db2.gz CZQZJLYWIKRVTP-KGYLQXTDSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)o1 ZINC000048853260 1128732457 /nfs/dbraw/zinc/73/24/57/1128732457.db2.gz VJCLYNKVESSCKI-ZDUSSCGKSA-N 0 2 276.295 3.626 20 30 CHEDLN CC[C@@H](C)[C@@H](C(=O)Nc1nc(C)n[nH]1)c1ccccc1 ZINC000083683139 1118358200 /nfs/dbraw/zinc/35/82/00/1118358200.db2.gz URNUANJQFONHRJ-ZWNOBZJWSA-N 0 2 272.352 3.531 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@H](c2ccccc2)C2CC2)n1 ZINC000161884028 1119415019 /nfs/dbraw/zinc/41/50/19/1119415019.db2.gz ZJWVASSDXHAMEH-LSDHHAIUSA-N 0 2 296.395 3.822 20 30 CHEDLN C=CC[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000617781549 1128869900 /nfs/dbraw/zinc/86/99/00/1128869900.db2.gz PHIYTBYMQWNOEW-JTQLQIEISA-N 0 2 297.757 3.613 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000842677595 1128952789 /nfs/dbraw/zinc/95/27/89/1128952789.db2.gz FSEFYTVBOGVRBW-HZSPNIEDSA-N 0 2 288.416 3.844 20 30 CHEDLN CCOc1ccc(F)c(F)c1NC1=C(C#N)C(=O)CS1 ZINC001175283218 1121252516 /nfs/dbraw/zinc/25/25/16/1121252516.db2.gz VJYMYCKYILSECS-UHFFFAOYSA-N 0 2 296.298 3.746 20 30 CHEDLN CSc1cccc(NC2=C(C#N)C(=O)CS2)c1 ZINC001175289102 1121255826 /nfs/dbraw/zinc/25/58/26/1121255826.db2.gz OETLDMIWFVPQNQ-UHFFFAOYSA-N 0 2 262.359 3.791 20 30 CHEDLN COc1cc(Cl)cc(NC2=C(C#N)C(=O)CS2)c1 ZINC001176342849 1121601180 /nfs/dbraw/zinc/60/11/80/1121601180.db2.gz RJWSCDVMHSCNSE-UHFFFAOYSA-N 0 2 280.736 3.731 20 30 CHEDLN N#CC1=C(Nc2cccc(OCC3CC3)c2)SCC1=O ZINC001176492866 1121639150 /nfs/dbraw/zinc/63/91/50/1121639150.db2.gz IJGSKGMVWQHNED-UHFFFAOYSA-N 0 2 286.356 3.858 20 30 CHEDLN Cc1oc(Nc2c(F)cc(F)c(O)c2F)c(C#N)c1C ZINC001176664562 1121671233 /nfs/dbraw/zinc/67/12/33/1121671233.db2.gz PPSQFAFRLUQIRL-UHFFFAOYSA-N 0 2 282.221 3.635 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2cc(F)ccc2Cl)c1 ZINC000727972883 1121758787 /nfs/dbraw/zinc/75/87/87/1121758787.db2.gz JIMLUIZUXHBULZ-UHFFFAOYSA-N 0 2 294.669 3.844 20 30 CHEDLN N#C[C@H](C(=O)C1CCC1)c1nc(-c2ccccc2)cs1 ZINC000041535767 1121995563 /nfs/dbraw/zinc/99/55/63/1121995563.db2.gz HPRHWFHIZCSPPJ-CYBMUJFWSA-N 0 2 282.368 3.786 20 30 CHEDLN CCc1cccc(CC)c1NC(=O)c1cccc(C#N)c1O ZINC001193652742 1122706491 /nfs/dbraw/zinc/70/64/91/1122706491.db2.gz NVVMUZSVUKNWOB-UHFFFAOYSA-N 0 2 294.354 3.641 20 30 CHEDLN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2s1 ZINC000850740634 1123298080 /nfs/dbraw/zinc/29/80/80/1123298080.db2.gz YWQVSOPPKMFNMD-QCNOEVLYSA-N 0 2 282.368 3.519 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2s1 ZINC000850740634 1123298084 /nfs/dbraw/zinc/29/80/84/1123298084.db2.gz YWQVSOPPKMFNMD-QCNOEVLYSA-N 0 2 282.368 3.519 20 30 CHEDLN N#CC(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc2ccccc2s1 ZINC000850740521 1123298429 /nfs/dbraw/zinc/29/84/29/1123298429.db2.gz XLIDKVUPDDPUJO-FVCCEPFGSA-N 0 2 296.395 3.909 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc2ccccc2s1 ZINC000850740521 1123298431 /nfs/dbraw/zinc/29/84/31/1123298431.db2.gz XLIDKVUPDDPUJO-FVCCEPFGSA-N 0 2 296.395 3.909 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CC[C@@H](C)C2)n1 ZINC000776528277 1123353808 /nfs/dbraw/zinc/35/38/08/1123353808.db2.gz NEXCNPMAKYUWEM-WOPDTQHZSA-N 0 2 276.405 3.879 20 30 CHEDLN CC[C@@H]1CCCC(N=Nc2cn[nH]c(=O)c2Cl)CC1 ZINC000853283931 1123431561 /nfs/dbraw/zinc/43/15/61/1123431561.db2.gz IJCXLGCTROPRNU-SECBINFHSA-N 0 2 282.775 3.594 20 30 CHEDLN CC[C@@H]1CCCC(=NNc2cnnc(O)c2Cl)CC1 ZINC000853283931 1123431562 /nfs/dbraw/zinc/43/15/62/1123431562.db2.gz IJCXLGCTROPRNU-SECBINFHSA-N 0 2 282.775 3.594 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)Cc2ccccc2)n1 ZINC000118141010 1123774344 /nfs/dbraw/zinc/77/43/44/1123774344.db2.gz DSJFLLUHHMUJMK-CQSZACIVSA-N 0 2 298.411 3.897 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C(C)(C)Cc2ccccc2)n1 ZINC000118141010 1123774348 /nfs/dbraw/zinc/77/43/48/1123774348.db2.gz DSJFLLUHHMUJMK-CQSZACIVSA-N 0 2 298.411 3.897 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C23CCC(CC2)C3(C)C)n1 ZINC001122395714 1131299625 /nfs/dbraw/zinc/29/96/25/1131299625.db2.gz WDVFZMRPBMAKPQ-BGMSHATGSA-N 0 2 288.416 3.844 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C23CCC(CC2)C3(C)C)n1 ZINC001122395714 1131299628 /nfs/dbraw/zinc/29/96/28/1131299628.db2.gz WDVFZMRPBMAKPQ-BGMSHATGSA-N 0 2 288.416 3.844 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H](C)Cc2ccccc2C)n1 ZINC000528907200 1124840595 /nfs/dbraw/zinc/84/05/95/1124840595.db2.gz GSQAOZQMJIUYLA-IUODEOHRSA-N 0 2 298.411 3.815 20 30 CHEDLN COc1c(F)c(F)c(-c2ccccc2C=NO)c(F)c1F ZINC001242738558 1129990475 /nfs/dbraw/zinc/99/04/75/1129990475.db2.gz UFCAZSZYJGCRPB-UHFFFAOYSA-N 0 2 299.223 3.727 20 30 CHEDLN Cc1c(C#N)c(-c2cc(F)ccc2O)nc2ccccc12 ZINC001240696007 1130422747 /nfs/dbraw/zinc/42/27/47/1130422747.db2.gz WAKBXZFWCODNSA-UHFFFAOYSA-N 0 2 278.286 3.927 20 30 CHEDLN C=CC[C@@H](CCC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234813022 1130678290 /nfs/dbraw/zinc/67/82/90/1130678290.db2.gz DGZVJQSFOPHRAJ-ZDUSSCGKSA-N 0 2 288.343 3.931 20 30 CHEDLN C=CC[C@@H](Oc1cc(O)cc2oc(C)cc(=O)c12)C(C)C ZINC001234819677 1130678967 /nfs/dbraw/zinc/67/89/67/1130678967.db2.gz MZYGDHRRYBHQRX-CQSZACIVSA-N 0 2 288.343 3.787 20 30 CHEDLN N#CC(C(=O)CCCC1CC1)c1nc2ccccc2o1 ZINC000813061654 1130733216 /nfs/dbraw/zinc/73/32/16/1130733216.db2.gz OOIKOVTXUFAJPZ-LBPRGKRZSA-N 0 2 268.316 3.584 20 30 CHEDLN Cc1nc(-c2c(F)cc(F)c(O)c2F)c(C#N)c(C)c1C ZINC001235991937 1130824403 /nfs/dbraw/zinc/82/44/03/1130824403.db2.gz FGTVRPHPIGLFQC-UHFFFAOYSA-N 0 2 292.260 3.668 20 30 CHEDLN Cc1ccc(F)c(-c2ccc(C#N)c(C(F)(F)F)n2)c1O ZINC001236391321 1130924933 /nfs/dbraw/zinc/92/49/33/1130924933.db2.gz IJTYQBPDMRDBHO-UHFFFAOYSA-N 0 2 296.223 3.792 20 30 CHEDLN N#CCc1cc(-c2cc(Cl)c(O)cc2F)ccc1C#N ZINC001245671000 1131122269 /nfs/dbraw/zinc/12/22/69/1131122269.db2.gz BHVIGPGJYHFBLR-UHFFFAOYSA-N 0 2 286.693 3.789 20 30 CHEDLN C=C[C@@H](C)ONC(=O)C1(c2ccccc2)CC2(CCC2)C1 ZINC001144589462 1131662289 /nfs/dbraw/zinc/66/22/89/1131662289.db2.gz NSYLEAYIUFIVOX-CQSZACIVSA-N 0 2 285.387 3.511 20 30 CHEDLN C=CC[C@H](CCCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972850 1131989464 /nfs/dbraw/zinc/98/94/64/1131989464.db2.gz DZSAQHQPZAPQAQ-LLVKDONJSA-N 0 2 281.308 3.520 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)C2CCC2)n1 ZINC000838812236 1132149079 /nfs/dbraw/zinc/14/90/79/1132149079.db2.gz UWFPSPPSYHWDIS-PWSUYJOCSA-N 0 2 276.405 3.879 20 30 CHEDLN CCCCCCC[C@@H](CC)n1[nH]c2ccnc(=O)c-2c1N ZINC001172356214 1132185799 /nfs/dbraw/zinc/18/57/99/1132185799.db2.gz GTQMBHJSIDEETD-GFCCVEGCSA-N 0 2 290.411 3.570 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H]2CCCCC2(F)F)c1 ZINC000840707156 1132273324 /nfs/dbraw/zinc/27/33/24/1132273324.db2.gz OAKIXZCALCDSIZ-FQKVVYMKSA-N 0 2 298.289 3.545 20 30 CHEDLN C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232627289 1132499002 /nfs/dbraw/zinc/49/90/02/1132499002.db2.gz IBUPRBZYIZVVRH-SNVBAGLBSA-N 0 2 284.186 3.544 20 30 CHEDLN C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232627289 1132499006 /nfs/dbraw/zinc/49/90/06/1132499006.db2.gz IBUPRBZYIZVVRH-SNVBAGLBSA-N 0 2 284.186 3.544 20 30 CHEDLN C=CCCONC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001149445887 1132543361 /nfs/dbraw/zinc/54/33/61/1132543361.db2.gz SZSGMWOAMWGZOC-UHFFFAOYSA-N 0 2 293.794 3.776 20 30 CHEDLN CCCCC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)C ZINC001233919460 1132698866 /nfs/dbraw/zinc/69/88/66/1132698866.db2.gz RZFQUJOTXYYTOW-CQSZACIVSA-N 0 2 276.380 3.951 20 30 CHEDLN COc1ccc(NC2=C(C#N)C(=O)CS2)cc1Cl ZINC001174152392 1132750576 /nfs/dbraw/zinc/75/05/76/1132750576.db2.gz SFQKKJGNMPVPMK-UHFFFAOYSA-N 0 2 280.736 3.731 20 30 CHEDLN Cc1cc(C)c(NC2=C(C#N)C(=O)CS2)cc1C ZINC001209831824 1134073019 /nfs/dbraw/zinc/07/30/19/1134073019.db2.gz RLVIQTOYACJHNR-UHFFFAOYSA-N 0 2 258.346 3.994 20 30 CHEDLN N#CC1=C(Nc2ccc3cccnc3c2)SCC1=O ZINC001210055003 1134137645 /nfs/dbraw/zinc/13/76/45/1134137645.db2.gz QRVFCSUWDLWLPP-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN N#CC1=C(Nc2ccc(OC(F)F)cc2)SCC1=O ZINC001210326552 1134193736 /nfs/dbraw/zinc/19/37/36/1134193736.db2.gz SJCCQOVPAUWSIG-UHFFFAOYSA-N 0 2 282.271 3.670 20 30 CHEDLN N#Cc1cc(Cl)cc(Nc2nnc(-c3ccco3)o2)c1 ZINC001210536860 1134241684 /nfs/dbraw/zinc/24/16/84/1134241684.db2.gz WXEJZZDPVOFDCL-UHFFFAOYSA-N 0 2 286.678 3.598 20 30 CHEDLN Cc1cc(F)cc(-c2cc(F)c(O)cc2F)c1C#N ZINC001211349850 1134411372 /nfs/dbraw/zinc/41/13/72/1134411372.db2.gz JDEAHQOBKCOIBT-UHFFFAOYSA-N 0 2 263.218 3.657 20 30 CHEDLN COCc1ccc(C)c(NC2=C(C#N)C(=O)CS2)c1 ZINC001213571553 1134463523 /nfs/dbraw/zinc/46/35/23/1134463523.db2.gz GANKSSNOBPOQKR-UHFFFAOYSA-N 0 2 274.345 3.524 20 30 CHEDLN N#CC1=C(Nc2ccc(CC(F)(F)F)nc2)SCC1=O ZINC001213911479 1134495761 /nfs/dbraw/zinc/49/57/61/1134495761.db2.gz OXBAMIOMHXOQRA-UHFFFAOYSA-N 0 2 299.277 3.569 20 30 CHEDLN N#Cc1cc(Nc2cc(F)c(O)c(Cl)c2)c(O)cc1F ZINC001214491751 1134545334 /nfs/dbraw/zinc/54/53/34/1134545334.db2.gz IUZDYVHOMSRTSC-UHFFFAOYSA-N 0 2 296.660 3.645 20 30 CHEDLN Cc1ccccc1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151842608 261055923 /nfs/dbraw/zinc/05/59/23/261055923.db2.gz VFZSIGSXOIMWEB-UHFFFAOYSA-N 0 2 297.402 3.699 20 30 CHEDLN C=CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1O ZINC000292742361 328273206 /nfs/dbraw/zinc/27/32/06/328273206.db2.gz HMYJGAQCNOVQOP-UHFFFAOYSA-N 0 2 285.174 3.601 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1F ZINC000041543360 329565983 /nfs/dbraw/zinc/56/59/83/329565983.db2.gz ICQLKPPCVOGYBS-GFCCVEGCSA-N 0 2 294.285 3.765 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2ccc(C(C)(C)C)cn2)n1 ZINC000422122048 330125616 /nfs/dbraw/zinc/12/56/16/330125616.db2.gz PIJZJSRRXGWRLN-GFCCVEGCSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)c[nH+]2)n1 ZINC000422122048 330125618 /nfs/dbraw/zinc/12/56/18/330125618.db2.gz PIJZJSRRXGWRLN-GFCCVEGCSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1cccc2c1CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000729641029 1125482099 /nfs/dbraw/zinc/48/20/99/1125482099.db2.gz ANXYUHIDUDIMLY-VHWUNXFSSA-N 0 2 296.326 3.715 20 30 CHEDLN N#Cc1ccc(Cl)nc1Nc1ccc(Cl)c(O)c1F ZINC001214796459 1134574146 /nfs/dbraw/zinc/57/41/46/1134574146.db2.gz WYPCCBVIVDFDHV-UHFFFAOYSA-N 0 2 298.104 3.848 20 30 CHEDLN N#C[C@H](C(=O)c1occc1-c1ccccc1)c1ccccn1 ZINC000073970338 1125639372 /nfs/dbraw/zinc/63/93/72/1125639372.db2.gz POIGEOJOBIFOHO-HNNXBMFYSA-N 0 2 288.306 3.832 20 30 CHEDLN CCC(=NNC1CC1)c1cc(Cl)cc(Cl)c1O ZINC000758126247 1126810504 /nfs/dbraw/zinc/81/05/04/1126810504.db2.gz CSMISBVWVILSOQ-UHFFFAOYSA-N 0 2 273.163 3.565 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2ccoc2C(C)C)n1 ZINC000361648647 1127579444 /nfs/dbraw/zinc/57/94/44/1127579444.db2.gz TXGQGZJHBWGRDW-LLVKDONJSA-N 0 2 274.345 3.658 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(c3ccccc3C)CC2)n1 ZINC000170709299 1127636146 /nfs/dbraw/zinc/63/61/46/1127636146.db2.gz SISWAFYNPIRTHB-ZDUSSCGKSA-N 0 2 296.395 3.668 20 30 CHEDLN Cc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000917559274 1128505956 /nfs/dbraw/zinc/50/59/56/1128505956.db2.gz JGIFLRVOAQAIGK-YXHQGMJNSA-N 0 2 284.315 3.789 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC2CCCCC2)n1 ZINC000041521495 1128546681 /nfs/dbraw/zinc/54/66/81/1128546681.db2.gz BSPNYNXMJYMGMG-LBPRGKRZSA-N 0 2 262.378 3.598 20 30 CHEDLN CCc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041545477 1128547286 /nfs/dbraw/zinc/54/72/86/1128547286.db2.gz RKRAEFMJNNIFAE-CQSZACIVSA-N 0 2 290.322 3.880 20 30 CHEDLN CCc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041545480 1128547378 /nfs/dbraw/zinc/54/73/78/1128547378.db2.gz RKRAEFMJNNIFAE-AWEZNQCLSA-N 0 2 290.322 3.880 20 30 CHEDLN N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 ZINC000041546315 1128547476 /nfs/dbraw/zinc/54/74/76/1128547476.db2.gz ULQYAZPJHYXXIB-LBPRGKRZSA-N 0 2 296.713 3.971 20 30 CHEDLN N#CC(C(=O)CCc1ccsc1)c1nc2ccccc2o1 ZINC000041544437 1128547572 /nfs/dbraw/zinc/54/75/72/1128547572.db2.gz AXEGCGJJKCMRCV-LBPRGKRZSA-N 0 2 296.351 3.698 20 30 CHEDLN Cc1ccc2c(c1)CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000920177953 1128670802 /nfs/dbraw/zinc/67/08/02/1128670802.db2.gz MLDVKUPLXHVCLC-VHWUNXFSSA-N 0 2 296.326 3.715 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(Cl)c2F)c1 ZINC000920944480 1128696329 /nfs/dbraw/zinc/69/63/29/1128696329.db2.gz MNVQZYCBSCLYTQ-UHFFFAOYSA-N 0 2 294.669 3.844 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC2CCCCCC2)n1 ZINC000175081459 1128715932 /nfs/dbraw/zinc/71/59/32/1128715932.db2.gz KWUTURCMWOPOBL-ZDUSSCGKSA-N 0 2 276.405 3.988 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C2CC(c3ccccc3)C2)c1 ZINC000728226594 1118033438 /nfs/dbraw/zinc/03/34/38/1118033438.db2.gz UTPWEZVLFMTYIL-WQRHYEAKSA-N 0 2 296.326 3.666 20 30 CHEDLN COc1ccccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 ZINC000588480354 1118910710 /nfs/dbraw/zinc/91/07/10/1118910710.db2.gz RVMLBCQOQGLAQD-VURMDHGXSA-N 0 2 288.730 3.950 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C(C2CC2)C2CC2)n1 ZINC000127611120 1119073395 /nfs/dbraw/zinc/07/33/95/1119073395.db2.gz RJEUKVPYWDNVJW-GFCCVEGCSA-N 0 2 288.416 3.879 20 30 CHEDLN CC(C)Oc1cccc(NC2=C(C#N)C(=O)CS2)c1F ZINC001212319762 1128843321 /nfs/dbraw/zinc/84/33/21/1128843321.db2.gz QZMRHTCHZONUOA-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN Cc1ncc(C(F)(F)F)cc1NC1=C(C#N)C(=O)CS1 ZINC001213826235 1119995422 /nfs/dbraw/zinc/99/54/22/1119995422.db2.gz ASQRQZIKYWEGOG-UHFFFAOYSA-N 0 2 299.277 3.791 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)C2(C3CC3)CC2)n1 ZINC000892803851 1120144480 /nfs/dbraw/zinc/14/44/80/1120144480.db2.gz WQYTUNNWXQHKGV-LLVKDONJSA-N 0 2 274.389 3.633 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C2(C3CC3)CC2)n1 ZINC000892803851 1120144483 /nfs/dbraw/zinc/14/44/83/1120144483.db2.gz WQYTUNNWXQHKGV-LLVKDONJSA-N 0 2 274.389 3.633 20 30 CHEDLN N#CC1=C(Nc2cc(F)c(O)c(Cl)c2)SCC1=O ZINC001214482602 1120245686 /nfs/dbraw/zinc/24/56/86/1120245686.db2.gz DEMQBDWUDRKGQJ-UHFFFAOYSA-N 0 2 284.699 3.567 20 30 CHEDLN CCCOc1ccc(NC2=C(C#N)C(=O)CS2)cc1F ZINC001211666168 1120750547 /nfs/dbraw/zinc/75/05/47/1120750547.db2.gz VTMRSVGFQXJHEZ-UHFFFAOYSA-N 0 2 292.335 3.997 20 30 CHEDLN CC(C)Oc1cc(F)cc(NC2=C(C#N)C(=O)CS2)c1 ZINC001175139914 1121199303 /nfs/dbraw/zinc/19/93/03/1121199303.db2.gz AIEPUGMZFHKKDY-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN N#CC1=C(Nc2cnn(C3CCCCC3)c2)SCC1=O ZINC001175877900 1121475334 /nfs/dbraw/zinc/47/53/34/1121475334.db2.gz CUZKKKHHJYCPET-UHFFFAOYSA-N 0 2 288.376 3.771 20 30 CHEDLN N#Cc1cc(F)ccc1Nc1c(F)cc(F)c(O)c1F ZINC001176673359 1121673209 /nfs/dbraw/zinc/67/32/09/1121673209.db2.gz UAUJYFRBLFBYRE-UHFFFAOYSA-N 0 2 282.196 3.564 20 30 CHEDLN C[C@@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 ZINC000733081222 1121956773 /nfs/dbraw/zinc/95/67/73/1121956773.db2.gz RGQGDJYWDWDXIZ-LOXUEPLVSA-N 0 2 276.336 3.544 20 30 CHEDLN C=CC[C@@H](Oc1c(F)c(F)c(O)c(F)c1F)C(C)C ZINC001225884123 1122620548 /nfs/dbraw/zinc/62/05/48/1122620548.db2.gz GMGBAHDVILECQJ-SSDOTTSWSA-N 0 2 278.245 3.928 20 30 CHEDLN C=CCOC(=O)Nc1cc(Cl)c(CC)c(Cl)c1O ZINC001194320170 1122765844 /nfs/dbraw/zinc/76/58/44/1122765844.db2.gz UMUAWKVYHSWBDS-UHFFFAOYSA-N 0 2 290.146 3.996 20 30 CHEDLN C=CCCCCCN(C)C(=O)c1cccc(Cl)c1O ZINC000775753331 1122939845 /nfs/dbraw/zinc/93/98/45/1122939845.db2.gz JGNJWPZNMSDLCU-UHFFFAOYSA-N 0 2 281.783 3.864 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000850736801 1123297255 /nfs/dbraw/zinc/29/72/55/1123297255.db2.gz NJZXQXHJHVGHIH-RFQIPJPRSA-N 0 2 288.416 3.844 20 30 CHEDLN N#CC(C(=O)C1CC2(CC2)C1)c1nc2ccccc2s1 ZINC000850738669 1123297474 /nfs/dbraw/zinc/29/74/74/1123297474.db2.gz FOZGIOJOHAOMOL-LLVKDONJSA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@H](C(=O)C1CC2(CC2)C1)c1nc2ccccc2s1 ZINC000850738669 1123297477 /nfs/dbraw/zinc/29/74/77/1123297477.db2.gz FOZGIOJOHAOMOL-LLVKDONJSA-N 0 2 282.368 3.663 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000041545430 1123592501 /nfs/dbraw/zinc/59/25/01/1123592501.db2.gz GVJPRLOUBQGTKX-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)c1 ZINC000041545430 1123592505 /nfs/dbraw/zinc/59/25/05/1123592505.db2.gz GVJPRLOUBQGTKX-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CCCC12CC2)c1nc(C2CC2)cs1 ZINC000860843992 1123753075 /nfs/dbraw/zinc/75/30/75/1123753075.db2.gz AHLRJBHVCQJCGW-NEPJUHHUSA-N 0 2 286.400 3.777 20 30 CHEDLN Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000734305022 1129300321 /nfs/dbraw/zinc/30/03/21/1129300321.db2.gz FLNLVXVNBWJCQZ-CLFYSBASSA-N 0 2 297.310 3.813 20 30 CHEDLN CCC(CC)(C/N=C/c1cc([N+](=O)[O-])ccc1O)SC ZINC000743044026 1129512121 /nfs/dbraw/zinc/51/21/21/1129512121.db2.gz CSQQFYGQMOUXOS-OQLLNIDSSA-N 0 2 296.392 3.641 20 30 CHEDLN N#Cc1cc(-c2ccc(F)cc2O)nc2ccccc12 ZINC001242218468 1129688586 /nfs/dbraw/zinc/68/85/86/1129688586.db2.gz VQBIVXWASGFNQV-UHFFFAOYSA-N 0 2 264.259 3.618 20 30 CHEDLN N#Cc1cccc(NC(=O)Nc2cccc(Cl)c2O)c1 ZINC001202786959 1129839449 /nfs/dbraw/zinc/83/94/49/1129839449.db2.gz HPJLJTXHQDCCOH-UHFFFAOYSA-N 0 2 287.706 3.561 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000115901041 1129843782 /nfs/dbraw/zinc/84/37/82/1129843782.db2.gz HLXTXRWCPCIPQX-DZGCQCFKSA-N 0 2 296.395 3.748 20 30 CHEDLN Cc1noc(C)c1/C=C/C(=O)c1ccc(O)c(Cl)c1 ZINC000119276073 1129847109 /nfs/dbraw/zinc/84/71/09/1129847109.db2.gz QUKCSBUBBMBZGZ-GQCTYLIASA-N 0 2 277.707 3.547 20 30 CHEDLN O=C(/C=C\c1ccc(Cl)nc1)c1ccc(O)c(Cl)c1 ZINC000768757646 1129872229 /nfs/dbraw/zinc/87/22/29/1129872229.db2.gz PRECFIJISLOLSY-RJRFIUFISA-N 0 2 294.137 3.990 20 30 CHEDLN CC(=NNc1ccc(C#N)c(Cl)c1)c1sccc1O ZINC000769800187 1129926383 /nfs/dbraw/zinc/92/63/83/1129926383.db2.gz CKGSNINGVWURTF-UHFFFAOYSA-N 0 2 291.763 3.815 20 30 CHEDLN C=C[C@@H](CCC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234814199 1130677439 /nfs/dbraw/zinc/67/74/39/1130677439.db2.gz NPJGWPXZWJIRNV-LBPRGKRZSA-N 0 2 274.316 3.541 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)C(C)(C)C)n1 ZINC000815897776 1131030855 /nfs/dbraw/zinc/03/08/55/1131030855.db2.gz GVEQIGQIDHLTKL-SNVBAGLBSA-N 0 2 264.394 3.700 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C(C)(C)C(C)(C)C)n1 ZINC000815897776 1131030859 /nfs/dbraw/zinc/03/08/59/1131030859.db2.gz GVEQIGQIDHLTKL-SNVBAGLBSA-N 0 2 264.394 3.700 20 30 CHEDLN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nc2ccccc2s1 ZINC000815899081 1131032115 /nfs/dbraw/zinc/03/21/15/1131032115.db2.gz DVAOMLQOHGMCEK-WOPDTQHZSA-N 0 2 282.368 3.519 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1C[C@@H]1C1CC1)c1nc2ccccc2s1 ZINC000815899081 1131032119 /nfs/dbraw/zinc/03/21/19/1131032119.db2.gz DVAOMLQOHGMCEK-WOPDTQHZSA-N 0 2 282.368 3.519 20 30 CHEDLN CC(C)CC[C@H]1CCC(N=Nc2cn[nH]c(=O)c2Cl)C1 ZINC000834937014 1131736583 /nfs/dbraw/zinc/73/65/83/1131736583.db2.gz GVTWODFGQRULGR-JTQLQIEISA-N 0 2 296.802 3.840 20 30 CHEDLN CC(C)CC[C@H]1CCC(=NNc2cnnc(O)c2Cl)C1 ZINC000834937014 1131736588 /nfs/dbraw/zinc/73/65/88/1131736588.db2.gz GVTWODFGQRULGR-JTQLQIEISA-N 0 2 296.802 3.840 20 30 CHEDLN CCCCCCCCC[C@H](CCC)[NH2+]CS(=O)(=O)[O-] ZINC001173283923 1132456276 /nfs/dbraw/zinc/45/62/76/1132456276.db2.gz AKUKOTUUGYVZRD-AWEZNQCLSA-N 0 2 293.473 3.731 20 30 CHEDLN N#C[C@H](C(=O)CC1CC(F)(F)C1)c1nc(C2CC2)cs1 ZINC000842941643 1132480672 /nfs/dbraw/zinc/48/06/72/1132480672.db2.gz CBPAJCQKEPYXHZ-SNVBAGLBSA-N 0 2 296.342 3.632 20 30 CHEDLN C=CCC[C@@H](CC)Oc1cc(O)cc2occc(=O)c12 ZINC001233835506 1132687208 /nfs/dbraw/zinc/68/72/08/1132687208.db2.gz ZRNWTAZGRLBSSK-GFCCVEGCSA-N 0 2 274.316 3.622 20 30 CHEDLN C=C[C@H](CCCC)Oc1cc(O)cc2occc(=O)c12 ZINC001233835494 1132687395 /nfs/dbraw/zinc/68/73/95/1132687395.db2.gz ZHCGOUWEPILFKS-GFCCVEGCSA-N 0 2 274.316 3.622 20 30 CHEDLN N#CC1=C(Nc2cc(Cl)cc(C#N)c2)SCC1=O ZINC001210537378 1134241891 /nfs/dbraw/zinc/24/18/91/1134241891.db2.gz WIYNSTKLYYEFFZ-UHFFFAOYSA-N 0 2 275.720 3.594 20 30 CHEDLN CCCOc1cc(F)ccc1NC1=C(C#N)C(=O)CS1 ZINC001214079742 1134509551 /nfs/dbraw/zinc/50/95/51/1134509551.db2.gz PUCWBYCMJYQORL-UHFFFAOYSA-N 0 2 292.335 3.997 20 30 CHEDLN N#Cc1cc(Nc2ccc(Cl)c(O)c2F)c(O)cc1F ZINC001214804742 1134576479 /nfs/dbraw/zinc/57/64/79/1134576479.db2.gz YICXDVDGBUFVOB-UHFFFAOYSA-N 0 2 296.660 3.645 20 30 CHEDLN N#Cc1cccc(-c2noc(-c3cc(Cl)ccc3O)n2)c1 ZINC001215152372 1134602138 /nfs/dbraw/zinc/60/21/38/1134602138.db2.gz VMVFWRNRWAQSLT-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN Cc1nc(OC(C)C)ccc1NC1=C(C#N)C(=O)CS1 ZINC001215918615 1134719395 /nfs/dbraw/zinc/71/93/95/1134719395.db2.gz IMDBTRRAGLLQMH-UHFFFAOYSA-N 0 2 289.360 3.560 20 30 CHEDLN N#CC1=C(Nc2ccc(N)c(C(F)(F)F)c2)SCC1=O ZINC001216050126 1134761069 /nfs/dbraw/zinc/76/10/69/1134761069.db2.gz HQEUDLHQCAWSGO-UHFFFAOYSA-N 0 2 299.277 3.670 20 30 CHEDLN N#Cc1cccc(-c2nc(-c3ccccc3Cl)no2)c1O ZINC001216978781 1134957022 /nfs/dbraw/zinc/95/70/22/1134957022.db2.gz KOPSRHOISYHPQW-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620110 1135598005 /nfs/dbraw/zinc/59/80/05/1135598005.db2.gz MRPPADYEDRPBJJ-WFASDCNBSA-N 0 2 289.331 3.980 20 30 CHEDLN C#C[C@H](CCCCC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225880266 1135633073 /nfs/dbraw/zinc/63/30/73/1135633073.db2.gz SGEBAFSNKGZUGP-MRVPVSSYSA-N 0 2 290.256 3.910 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2sccc2C2CC2)n1 ZINC000357508814 266313088 /nfs/dbraw/zinc/31/30/88/266313088.db2.gz GBXSLZIPNQDUFB-LLVKDONJSA-N 0 2 288.397 3.881 20 30 CHEDLN CC1CC(C#N)(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000546617152 334040662 /nfs/dbraw/zinc/04/06/62/334040662.db2.gz WIUPCRPSOQUOGE-UHFFFAOYSA-N 0 2 299.157 3.577 20 30 CHEDLN CC[C@H]1CCCC(=NNc2cnnc(O)c2Cl)CC1 ZINC000853283932 1123431416 /nfs/dbraw/zinc/43/14/16/1123431416.db2.gz IJCXLGCTROPRNU-VIFPVBQESA-N 0 2 282.775 3.594 20 30 CHEDLN C=C[C@@H](C)ONC(=O)CSc1ccc(C(C)C)cc1 ZINC000846551133 1131712833 /nfs/dbraw/zinc/71/28/33/1131712833.db2.gz STLZAYQIIWEOKP-GFCCVEGCSA-N 0 2 279.405 3.524 20 30 CHEDLN CCC[C@H](C)[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)C ZINC001233919293 1132698563 /nfs/dbraw/zinc/69/85/63/1132698563.db2.gz DWDZOVQEILFXAD-XHDPSFHLSA-N 0 2 276.380 3.807 20 30 CHEDLN CCC[C@H](C)[C@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919305 1132698573 /nfs/dbraw/zinc/69/85/73/1132698573.db2.gz GIHYBUZLHYRRDR-GWCFXTLKSA-N 0 2 262.353 3.561 20 30 CHEDLN N#Cc1cc(F)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214803898 1134574790 /nfs/dbraw/zinc/57/47/90/1134574790.db2.gz JZDYPPGMEFERAI-UHFFFAOYSA-N 0 2 280.661 3.939 20 30 CHEDLN N#C[C@@H](C(=O)c1occc1-c1ccccc1)c1ccccn1 ZINC000073970341 1125640176 /nfs/dbraw/zinc/64/01/76/1125640176.db2.gz POIGEOJOBIFOHO-OAHLLOKOSA-N 0 2 288.306 3.832 20 30 CHEDLN N#CC(=C(O)C=Cc1ccccc1)c1nc2ccccc2o1 ZINC000054735121 1127138198 /nfs/dbraw/zinc/13/81/98/1127138198.db2.gz GBSIUMKICADNDN-VNDWYCCKSA-N 0 2 288.306 3.717 20 30 CHEDLN N#CC(C(=O)C=Cc1ccccc1)c1nc2ccccc2o1 ZINC000054735121 1127138200 /nfs/dbraw/zinc/13/82/00/1127138200.db2.gz GBSIUMKICADNDN-VNDWYCCKSA-N 0 2 288.306 3.717 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2cc3occc3s2)n1 ZINC000606146182 1127751840 /nfs/dbraw/zinc/75/18/40/1127751840.db2.gz LJKYZRVMKAKUPO-MRVPVSSYSA-N 0 2 288.353 3.749 20 30 CHEDLN N#C[C@@H](C(=O)CC1CCC1)c1nc(-c2ccncc2)cs1 ZINC000174104339 1127875310 /nfs/dbraw/zinc/87/53/10/1127875310.db2.gz AELAYNKLSZQQGT-ZDUSSCGKSA-N 0 2 297.383 3.572 20 30 CHEDLN Cc1cc(=O)[nH]c(N=NC(CCc2ccccc2)C(C)C)n1 ZINC000917529356 1128505257 /nfs/dbraw/zinc/50/52/57/1128505257.db2.gz NFNQDJDZNUXDBZ-UHFFFAOYSA-N 0 2 298.390 3.547 20 30 CHEDLN Cc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000255020730 1117993153 /nfs/dbraw/zinc/99/31/53/1117993153.db2.gz OLIZQPYINMSPGI-HYXAFXHYSA-N 0 2 289.312 3.566 20 30 CHEDLN CC(C)c1cc(NC2=C(C#N)C(=O)CS2)ccc1O ZINC001215845035 1118610066 /nfs/dbraw/zinc/61/00/66/1118610066.db2.gz VNMPTAXORWTSPM-UHFFFAOYSA-N 0 2 274.345 3.898 20 30 CHEDLN C=CCCONC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 ZINC001168626936 1120089341 /nfs/dbraw/zinc/08/93/41/1120089341.db2.gz JKBZHMYIDCYZLY-UHFFFAOYSA-N 0 2 287.403 3.640 20 30 CHEDLN N#CC(C(=O)[C@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812664 1120549245 /nfs/dbraw/zinc/54/92/45/1120549245.db2.gz CBMUYJHUSKOUPQ-WDEREUQCSA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812664 1120549250 /nfs/dbraw/zinc/54/92/50/1120549250.db2.gz CBMUYJHUSKOUPQ-WDEREUQCSA-N 0 2 282.368 3.663 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cccc(Cl)c2)n1 ZINC000070031164 1128932953 /nfs/dbraw/zinc/93/29/53/1128932953.db2.gz KMXCFFDMGZCGMV-LBPRGKRZSA-N 0 2 290.775 3.524 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)Cc2cccc(Cl)c2)n1 ZINC000070031164 1128932955 /nfs/dbraw/zinc/93/29/55/1128932955.db2.gz KMXCFFDMGZCGMV-LBPRGKRZSA-N 0 2 290.775 3.524 20 30 CHEDLN Cc1cc(C)c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)o1 ZINC000674300098 1121115356 /nfs/dbraw/zinc/11/53/56/1121115356.db2.gz ZATMCKOAPIXVPT-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1cc(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)o1 ZINC000674300098 1121115360 /nfs/dbraw/zinc/11/53/60/1121115360.db2.gz ZATMCKOAPIXVPT-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN CCC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000729149727 1121757359 /nfs/dbraw/zinc/75/73/59/1121757359.db2.gz OGWROWSWZGZXOK-XWAFYUISSA-N 0 2 299.330 3.656 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C[C@H]2C=CCC2)n1 ZINC000080455213 1129100222 /nfs/dbraw/zinc/10/02/22/1129100222.db2.gz JDRDOWLOFASHKU-RYUDHWBXSA-N 0 2 274.389 3.799 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@H](C)c2ccccc2F)n1 ZINC000109038231 1123236406 /nfs/dbraw/zinc/23/64/06/1123236406.db2.gz UAAAVLXQMHWPBP-PWSUYJOCSA-N 0 2 288.347 3.571 20 30 CHEDLN CCCC[C@@](C)(F)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000850737369 1123297613 /nfs/dbraw/zinc/29/76/13/1123297613.db2.gz UJIOLWRBGKEZGO-GXFFZTMASA-N 0 2 268.357 3.546 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2CCC(C3CC3)CC2)n1 ZINC000850737582 1123297623 /nfs/dbraw/zinc/29/76/23/1123297623.db2.gz YBEGTUMMYUSWOO-RUXDESIVSA-N 0 2 288.416 3.844 20 30 CHEDLN CC[C@H]1CCCC(N=Nc2cn[nH]c(=O)c2Cl)CC1 ZINC000853283932 1123431413 /nfs/dbraw/zinc/43/14/13/1123431413.db2.gz IJCXLGCTROPRNU-VIFPVBQESA-N 0 2 282.775 3.594 20 30 CHEDLN N#CC(C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc(C2CC2)cs1 ZINC000860844263 1123753085 /nfs/dbraw/zinc/75/30/85/1123753085.db2.gz HEIIITJLJGKUDY-UTUOFQBUSA-N 0 2 298.367 3.593 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc(C2CC2)cs1 ZINC000860844263 1123753090 /nfs/dbraw/zinc/75/30/90/1123753090.db2.gz HEIIITJLJGKUDY-UTUOFQBUSA-N 0 2 298.367 3.593 20 30 CHEDLN Oc1ccc(F)c(C=NNc2ccc3ccccc3n2)c1F ZINC000794459916 1123834270 /nfs/dbraw/zinc/83/42/70/1123834270.db2.gz MJZGZXQDGLCVRT-UHFFFAOYSA-N 0 2 299.280 3.665 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2sccc2C(F)F)n1 ZINC000873495336 1124773121 /nfs/dbraw/zinc/77/31/21/1124773121.db2.gz KCVFORPVFWODFS-QMMMGPOBSA-N 0 2 298.339 3.941 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H](C)Cc2ccccc2C)n1 ZINC000528907197 1124840802 /nfs/dbraw/zinc/84/08/02/1124840802.db2.gz GSQAOZQMJIUYLA-DOMZBBRYSA-N 0 2 298.411 3.815 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C(C2CC2)C2CC2)n1 ZINC000127610917 1125205393 /nfs/dbraw/zinc/20/53/93/1125205393.db2.gz RJEUKVPYWDNVJW-LBPRGKRZSA-N 0 2 288.416 3.879 20 30 CHEDLN Cc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000129527154 1125341504 /nfs/dbraw/zinc/34/15/04/1125341504.db2.gz LEFMWKIFOPWLFF-VQHVLOKHSA-N 0 2 283.283 3.505 20 30 CHEDLN Cc1cccc([C@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000741165346 1129430868 /nfs/dbraw/zinc/43/08/68/1129430868.db2.gz LBFMDBCNNBJCKI-VBEHJTROSA-N 0 2 298.342 3.831 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000741465766 1129436936 /nfs/dbraw/zinc/43/69/36/1129436936.db2.gz YFXDNYOPPKVKAA-HGHQNMJOSA-N 0 2 288.347 3.688 20 30 CHEDLN CC[C@H](C)C[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000743041700 1129511295 /nfs/dbraw/zinc/51/12/95/1129511295.db2.gz BZWAIPJRHFAIFJ-DNNIXFFWSA-N 0 2 264.325 3.544 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/CC2CCC(F)(F)CC2)c1 ZINC000800721143 1129885830 /nfs/dbraw/zinc/88/58/30/1129885830.db2.gz KETQYMVBTDZJAD-RQZCQDPDSA-N 0 2 298.289 3.545 20 30 CHEDLN C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000800790076 1129887546 /nfs/dbraw/zinc/88/75/46/1129887546.db2.gz BEKDMYGOKVTGQO-UGHKADQRSA-N 0 2 276.317 3.542 20 30 CHEDLN O=C(/C=C\c1cccc2nccn21)c1cc(Cl)ccc1O ZINC000769610456 1129919193 /nfs/dbraw/zinc/91/91/93/1129919193.db2.gz QHDDCFOJUBDKQB-ALCCZGGFSA-N 0 2 298.729 3.589 20 30 CHEDLN CC[C@@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1O ZINC000790180845 1130294221 /nfs/dbraw/zinc/29/42/21/1130294221.db2.gz BBTFHGLSAAWQSD-SSDOTTSWSA-N 0 2 275.179 3.811 20 30 CHEDLN N#CC(=C(O)C1=CCCC1)c1nccc2ccccc21 ZINC000792096722 1130431384 /nfs/dbraw/zinc/43/13/84/1130431384.db2.gz QFHDUPJILCYDRK-HNNXBMFYSA-N 0 2 262.312 3.521 20 30 CHEDLN CC(=NNc1cc(C)ccc1C)c1cc([N+](=O)[O-])ccc1O ZINC000758094841 1130597159 /nfs/dbraw/zinc/59/71/59/1130597159.db2.gz GHFXWCUAARNLPE-UHFFFAOYSA-N 0 2 299.330 3.753 20 30 CHEDLN N#CC(C(=O)CCCC1CC1)c1nc2ccccc2o1 ZINC000813061653 1130732830 /nfs/dbraw/zinc/73/28/30/1130732830.db2.gz OOIKOVTXUFAJPZ-GFCCVEGCSA-N 0 2 268.316 3.584 20 30 CHEDLN N#C[C@H](C(=O)CCC(F)F)c1nc2cc(F)ccc2s1 ZINC000796694747 1130923445 /nfs/dbraw/zinc/92/34/45/1130923445.db2.gz XXJZGTSGLJYOOS-MRVPVSSYSA-N 0 2 298.289 3.657 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2coc3ccccc23)n1 ZINC000796739903 1130927326 /nfs/dbraw/zinc/92/73/26/1130927326.db2.gz VKZVRKYRUASYSH-ZDUSSCGKSA-N 0 2 296.351 3.617 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)Cc2coc3ccccc23)n1 ZINC000796739903 1130927332 /nfs/dbraw/zinc/92/73/32/1130927332.db2.gz VKZVRKYRUASYSH-ZDUSSCGKSA-N 0 2 296.351 3.617 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CC=CCC2)s1 ZINC000797570375 1130993952 /nfs/dbraw/zinc/99/39/52/1130993952.db2.gz GKIOKBGBPSGPAN-NEPJUHHUSA-N 0 2 288.416 3.973 20 30 CHEDLN C=CCC(F)(F)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000815905611 1131030277 /nfs/dbraw/zinc/03/02/77/1131030277.db2.gz SUGSYPHTVFRQKX-UHFFFAOYSA-N 0 2 296.100 3.849 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCCC2)s1 ZINC000797568378 1131806631 /nfs/dbraw/zinc/80/66/31/1131806631.db2.gz HUMDWWMQCXLITG-LLVKDONJSA-N 0 2 276.405 3.807 20 30 CHEDLN N#C[C@@H](C(=O)CCc1ccccc1)c1nc(C2CC2)cs1 ZINC000842936481 1132478720 /nfs/dbraw/zinc/47/87/20/1132478720.db2.gz AYKCBWYLGJRXKR-AWEZNQCLSA-N 0 2 296.395 3.830 20 30 CHEDLN CSc1ccc(NC2=C(C#N)C(=O)CS2)cc1 ZINC001173814582 1132518804 /nfs/dbraw/zinc/51/88/04/1132518804.db2.gz WNYMGICDBQLHIR-UHFFFAOYSA-N 0 2 262.359 3.791 20 30 CHEDLN N#CC1=C(Nc2ccc3[nH]ccc3c2)SCC1=O ZINC001173940687 1132651617 /nfs/dbraw/zinc/65/16/17/1132651617.db2.gz ZPAQLMTWJMLGPC-UHFFFAOYSA-N 0 2 255.302 3.550 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)c1C#N ZINC001233915251 1132697030 /nfs/dbraw/zinc/69/70/30/1132697030.db2.gz CQIROLNSYWUTCT-NDGTYSDOSA-N 0 2 286.375 3.561 20 30 CHEDLN CCCC[C@H](CCC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919441 1132698328 /nfs/dbraw/zinc/69/83/28/1132698328.db2.gz QFROPGDEVIWGRR-LBPRGKRZSA-N 0 2 262.353 3.705 20 30 CHEDLN COc1c(F)ccc(NC2=C(C#N)C(=O)CS2)c1Cl ZINC001209800982 1134068741 /nfs/dbraw/zinc/06/87/41/1134068741.db2.gz AUMVGQWWGZNQSS-UHFFFAOYSA-N 0 2 298.726 3.870 20 30 CHEDLN N#Cc1cccc(Cl)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210400176 1134209375 /nfs/dbraw/zinc/20/93/75/1134209375.db2.gz DOWHTCUINCFPKM-UHFFFAOYSA-N 0 2 289.678 3.569 20 30 CHEDLN COc1cc(F)c(NC2=C(C#N)C(=O)CS2)cc1Cl ZINC001214060444 1134507804 /nfs/dbraw/zinc/50/78/04/1134507804.db2.gz QVUKJJBAAFRDOB-UHFFFAOYSA-N 0 2 298.726 3.870 20 30 CHEDLN COc1c(F)cc(NC2=C(C#N)C(=O)CS2)cc1Cl ZINC001214969124 1134589468 /nfs/dbraw/zinc/58/94/68/1134589468.db2.gz PDGSWZDXAJUEBZ-UHFFFAOYSA-N 0 2 298.726 3.870 20 30 CHEDLN CCc1cc(Nc2nnc(C(C)(C)C)o2)ccc1C#N ZINC001216313069 1134846424 /nfs/dbraw/zinc/84/64/24/1134846424.db2.gz AHIPXSUCCWEVOF-UHFFFAOYSA-N 0 2 270.336 3.545 20 30 CHEDLN CC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)c1ccccc1F ZINC001226222686 1135673980 /nfs/dbraw/zinc/67/39/80/1135673980.db2.gz GOADTZJLKVCFLI-AWEZNQCLSA-N 0 2 286.306 3.637 20 30 CHEDLN CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000285775014 263095704 /nfs/dbraw/zinc/09/57/04/263095704.db2.gz JPQFZSGYXMFLQM-LBPRGKRZSA-N 0 2 287.146 3.577 20 30 CHEDLN C=CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000291275072 264818391 /nfs/dbraw/zinc/81/83/91/264818391.db2.gz LRPNNNOTLFKTGJ-NEPJUHHUSA-N 0 2 289.272 3.711 20 30 CHEDLN C=CCC[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000291275072 264818398 /nfs/dbraw/zinc/81/83/98/264818398.db2.gz LRPNNNOTLFKTGJ-NEPJUHHUSA-N 0 2 289.272 3.711 20 30 CHEDLN CC#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000468327033 331432474 /nfs/dbraw/zinc/43/24/74/331432474.db2.gz CRSCGAZYZLXYEI-UHFFFAOYSA-N 0 2 286.158 3.831 20 30 CHEDLN CC[C@@H](F)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC001346343975 1118075822 /nfs/dbraw/zinc/07/58/22/1118075822.db2.gz GOWFHZJYTYHKSR-RKDXNWHRSA-N 0 2 296.754 3.874 20 30 CHEDLN C=CCC[C@@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1ccccc1 ZINC001588778711 984162606 /nfs/dbraw/zinc/16/26/06/984162606.db2.gz JPBCSWAEDIEVNO-MRXNPFEDSA-N 0 2 296.370 3.828 20 30 CHEDLN COc1c(C)cc(NC2=C(C#N)C(=O)CS2)cc1C ZINC001174998420 1121125814 /nfs/dbraw/zinc/12/58/14/1121125814.db2.gz WPNSSXITMXBVGM-UHFFFAOYSA-N 0 2 274.345 3.694 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)CC(F)(F)F)n1 ZINC000850736969 1123296829 /nfs/dbraw/zinc/29/68/29/1123296829.db2.gz OZRJCWLQGLHQKU-QMMMGPOBSA-N 0 2 290.310 3.606 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C(C)(C)CC(F)(F)F)n1 ZINC000850736969 1123296834 /nfs/dbraw/zinc/29/68/34/1123296834.db2.gz OZRJCWLQGLHQKU-QMMMGPOBSA-N 0 2 290.310 3.606 20 30 CHEDLN N#Cc1ccc(F)cc1Nc1ccc(Cl)c(O)c1F ZINC001214802179 1134575608 /nfs/dbraw/zinc/57/56/08/1134575608.db2.gz WLXGEFMVANZNDY-UHFFFAOYSA-N 0 2 280.661 3.939 20 30 CHEDLN C=CCC(CC=C)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225880277 1135633229 /nfs/dbraw/zinc/63/32/29/1135633229.db2.gz SKGZIDPGOYGQCN-UHFFFAOYSA-N 0 2 276.229 3.848 20 30 CHEDLN CC(Cl)(Cl)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000777294542 1126785498 /nfs/dbraw/zinc/78/54/98/1126785498.db2.gz HOPWAYGENYFOTI-ZETCQYMHSA-N 0 2 299.182 3.666 20 30 CHEDLN CC(Cl)(Cl)C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000777294542 1126785500 /nfs/dbraw/zinc/78/55/00/1126785500.db2.gz HOPWAYGENYFOTI-ZETCQYMHSA-N 0 2 299.182 3.666 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c(O)c1 ZINC000156705167 1127165589 /nfs/dbraw/zinc/16/55/89/1127165589.db2.gz ZQHIUNRNYYTKDS-FNORWQNLSA-N 0 2 269.325 3.530 20 30 CHEDLN O/N=C/c1cccc(-c2cc(Cl)c(O)cc2F)c1 ZINC001245672765 1131123160 /nfs/dbraw/zinc/12/31/60/1131123160.db2.gz ZYXQEBMDIWVYTR-FRKPEAEDSA-N 0 2 265.671 3.660 20 30 CHEDLN N#C[C@H](C(=O)C1=CCCC1)c1nc2cc(F)ccc2s1 ZINC000761166156 1127488264 /nfs/dbraw/zinc/48/82/64/1127488264.db2.gz JSPOUYDDGLADAK-LLVKDONJSA-N 0 2 286.331 3.722 20 30 CHEDLN Cc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000917559272 1128505728 /nfs/dbraw/zinc/50/57/28/1128505728.db2.gz JGIFLRVOAQAIGK-NJPLLEPOSA-N 0 2 284.315 3.789 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@@H](C)c2ccccc2)n1 ZINC000041521806 1128546265 /nfs/dbraw/zinc/54/62/65/1128546265.db2.gz QQSCGQRJELOZJV-BXUZGUMPSA-N 0 2 284.384 3.822 20 30 CHEDLN N#C[C@@H](C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 ZINC000041546251 1128547388 /nfs/dbraw/zinc/54/73/88/1128547388.db2.gz NKNDSFZGXLZBKS-LBPRGKRZSA-N 0 2 296.713 3.971 20 30 CHEDLN N#CC(C(=O)CCc1ccccc1)c1nc2ccccc2o1 ZINC000041546136 1128547446 /nfs/dbraw/zinc/54/74/46/1128547446.db2.gz BYQOFMHSTMTYJA-CQSZACIVSA-N 0 2 290.322 3.637 20 30 CHEDLN CCc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)sc1C ZINC000041574574 1128548348 /nfs/dbraw/zinc/54/83/48/1128548348.db2.gz YUEYXMQCTJDZKA-CYBMUJFWSA-N 0 2 299.399 3.516 20 30 CHEDLN C[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)[C@@H]1C ZINC000920943103 1128695696 /nfs/dbraw/zinc/69/56/96/1128695696.db2.gz NMLWONCHPJZJMC-JFNAFIFTSA-N 0 2 276.336 3.544 20 30 CHEDLN Cc1noc(C)c1/C=C\C(=O)c1ccc(O)c(Cl)c1 ZINC000588480293 1118910513 /nfs/dbraw/zinc/91/05/13/1118910513.db2.gz QUKCSBUBBMBZGZ-XQRVVYSFSA-N 0 2 277.707 3.547 20 30 CHEDLN Cc1nc2ccc(NC3=C(C#N)C(=O)CS3)cc2o1 ZINC001213064845 1119511482 /nfs/dbraw/zinc/51/14/82/1119511482.db2.gz JXDLWIDXAYHKAV-UHFFFAOYSA-N 0 2 271.301 3.519 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2sc(C)cc2C)n1 ZINC000892417321 1119657769 /nfs/dbraw/zinc/65/77/69/1119657769.db2.gz HWTSYNRZFPGPNR-NSHDSACASA-N 0 2 290.413 3.549 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)Cc2sc(C)cc2C)n1 ZINC000892417321 1119657771 /nfs/dbraw/zinc/65/77/71/1119657771.db2.gz HWTSYNRZFPGPNR-NSHDSACASA-N 0 2 290.413 3.549 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)n1 ZINC000892418009 1119659131 /nfs/dbraw/zinc/65/91/31/1119659131.db2.gz OKLZCCPLAJYXCE-GRDNDAEWSA-N 0 2 296.395 3.606 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)n1 ZINC000892418009 1119659133 /nfs/dbraw/zinc/65/91/33/1119659133.db2.gz OKLZCCPLAJYXCE-GRDNDAEWSA-N 0 2 296.395 3.606 20 30 CHEDLN N#CC(C(=O)c1cccs1)c1nc(C2CC2)cs1 ZINC000647371725 1119699740 /nfs/dbraw/zinc/69/97/40/1119699740.db2.gz XJTRGPBTLLHKFM-SECBINFHSA-N 0 2 274.370 3.572 20 30 CHEDLN N#C[C@H](C(=O)c1cccs1)c1nc(C2CC2)cs1 ZINC000647371725 1119699742 /nfs/dbraw/zinc/69/97/42/1119699742.db2.gz XJTRGPBTLLHKFM-SECBINFHSA-N 0 2 274.370 3.572 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)C2(C3CC3)CC2)n1 ZINC000892803862 1120145063 /nfs/dbraw/zinc/14/50/63/1120145063.db2.gz WQYTUNNWXQHKGV-NSHDSACASA-N 0 2 274.389 3.633 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C2(C3CC3)CC2)n1 ZINC000892803862 1120145066 /nfs/dbraw/zinc/14/50/66/1120145066.db2.gz WQYTUNNWXQHKGV-NSHDSACASA-N 0 2 274.389 3.633 20 30 CHEDLN Cc1cc(C)c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)o1 ZINC000674300096 1121115394 /nfs/dbraw/zinc/11/53/94/1121115394.db2.gz ZATMCKOAPIXVPT-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1cc(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)o1 ZINC000674300096 1121115396 /nfs/dbraw/zinc/11/53/96/1121115396.db2.gz ZATMCKOAPIXVPT-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN COc1cc(C)c(NC2=C(C#N)C(=O)CS2)cc1C ZINC001175110219 1121169039 /nfs/dbraw/zinc/16/90/39/1121169039.db2.gz FPCBSCSSDFRYBT-UHFFFAOYSA-N 0 2 274.345 3.694 20 30 CHEDLN N#CC1=C(Nc2ccc3ccncc3c2)SCC1=O ZINC001175701529 1121419029 /nfs/dbraw/zinc/41/90/29/1121419029.db2.gz LDOGCNUWBYFRRU-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN CCOc1cc(F)c(F)cc1NC1=C(C#N)C(=O)CS1 ZINC001211798894 1121599133 /nfs/dbraw/zinc/59/91/33/1121599133.db2.gz MCZPEBIRAMXLIQ-UHFFFAOYSA-N 0 2 296.298 3.746 20 30 CHEDLN C=CC[C@@H](Oc1nc(Cl)cc(=O)[nH]1)c1ccccc1 ZINC001225563156 1121849007 /nfs/dbraw/zinc/84/90/07/1121849007.db2.gz RNIXQMFXICTNNN-LLVKDONJSA-N 0 2 276.723 3.532 20 30 CHEDLN N#C[C@H](C(=O)CCCF)c1nc(-c2ccccc2)cs1 ZINC000850766962 1123300599 /nfs/dbraw/zinc/30/05/99/1123300599.db2.gz YRLJMLWFMLWVMN-GFCCVEGCSA-N 0 2 288.347 3.736 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CC23CCC3)s1 ZINC000797571434 1123305355 /nfs/dbraw/zinc/30/53/55/1123305355.db2.gz RHJTWWSATJIPLE-MNOVXSKESA-N 0 2 288.416 3.807 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1CCCC12CC2)c1nc(C2CC2)cs1 ZINC000860843994 1123753191 /nfs/dbraw/zinc/75/31/91/1123753191.db2.gz AHLRJBHVCQJCGW-RYUDHWBXSA-N 0 2 286.400 3.777 20 30 CHEDLN CC(C)n1nccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 ZINC000794943906 1124093567 /nfs/dbraw/zinc/09/35/67/1124093567.db2.gz AHRKELQZQXWCJQ-XQRVVYSFSA-N 0 2 290.750 3.719 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000741845668 1129456097 /nfs/dbraw/zinc/45/60/97/1129456097.db2.gz VIEUCVCOPHQGGB-PZEKQYFXSA-N 0 2 288.347 3.688 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000741845672 1129456227 /nfs/dbraw/zinc/45/62/27/1129456227.db2.gz VIEUCVCOPHQGGB-RQSUVKSXSA-N 0 2 288.347 3.688 20 30 CHEDLN N#C[C@H](C(=O)CCC1CC1)c1nc(-c2ccncc2)cs1 ZINC000115909126 1129843698 /nfs/dbraw/zinc/84/36/98/1129843698.db2.gz BOSKDUVIJQZRTI-CYBMUJFWSA-N 0 2 297.383 3.572 20 30 CHEDLN Cc1nn(C(C)C)cc1/C=C/C(=O)c1c(O)cccc1F ZINC000901561039 1129936572 /nfs/dbraw/zinc/93/65/72/1129936572.db2.gz LWVMIGVHKXNFDU-BQYQJAHWSA-N 0 2 288.322 3.513 20 30 CHEDLN C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)[C@@H](C)c1ccccc1 ZINC000746815360 1130252933 /nfs/dbraw/zinc/25/29/33/1130252933.db2.gz HVBYJULAJLQNDT-NLKYIXICSA-N 0 2 298.342 3.912 20 30 CHEDLN C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H](C)c1ccccc1 ZINC000746815359 1130253493 /nfs/dbraw/zinc/25/34/93/1130253493.db2.gz HVBYJULAJLQNDT-LDQMOMIISA-N 0 2 298.342 3.912 20 30 CHEDLN N#CC(=C(O)C1=CCCC1)c1nccc2ccccc21 ZINC000792096723 1130431743 /nfs/dbraw/zinc/43/17/43/1130431743.db2.gz QFHDUPJILCYDRK-OAHLLOKOSA-N 0 2 262.312 3.521 20 30 CHEDLN Oc1c(Cl)cc(Cl)cc1C=NOC/C=C/Cl ZINC000811668336 1130631757 /nfs/dbraw/zinc/63/17/57/1130631757.db2.gz DTXXOFCJUIJIQR-XOWKLHRESA-N 0 2 280.538 3.802 20 30 CHEDLN Cc1nc(F)ccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 ZINC000782352955 1130774633 /nfs/dbraw/zinc/77/46/33/1130774633.db2.gz XUZPIDALZFXBIG-DJWKRKHSSA-N 0 2 291.709 3.784 20 30 CHEDLN N#C[C@@H](C(=O)C1=CCCCC1)c1nc2ccccc2s1 ZINC000783067939 1130795826 /nfs/dbraw/zinc/79/58/26/1130795826.db2.gz BQELBMIUALFNRN-LBPRGKRZSA-N 0 2 282.368 3.973 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2coc3ccccc23)n1 ZINC000796739901 1130926709 /nfs/dbraw/zinc/92/67/09/1130926709.db2.gz VKZVRKYRUASYSH-CYBMUJFWSA-N 0 2 296.351 3.617 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)Cc2coc3ccccc23)n1 ZINC000796739901 1130926715 /nfs/dbraw/zinc/92/67/15/1130926715.db2.gz VKZVRKYRUASYSH-CYBMUJFWSA-N 0 2 296.351 3.617 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)C2CCC2)n1 ZINC000838812235 1132149069 /nfs/dbraw/zinc/14/90/69/1132149069.db2.gz UWFPSPPSYHWDIS-JQWIXIFHSA-N 0 2 276.405 3.879 20 30 CHEDLN N#C[C@@H](C(=O)C=Cc1ccco1)c1nc(C2CC2)cs1 ZINC000842939809 1132479322 /nfs/dbraw/zinc/47/93/22/1132479322.db2.gz XXHVIYZQEPQKQV-FYJFLYSWSA-N 0 2 284.340 3.503 20 30 CHEDLN C=C(C)C[C@@H](Oc1cc(O)cc2occc(=O)c12)C(=C)C ZINC001233835166 1132688032 /nfs/dbraw/zinc/68/80/32/1132688032.db2.gz VNGDGAXISQODPY-CQSZACIVSA-N 0 2 286.327 3.788 20 30 CHEDLN Cc1cc(=O)[nH]c(OC2CCC(C(C)(C)C)CC2)c1C#N ZINC001233915605 1132697259 /nfs/dbraw/zinc/69/72/59/1132697259.db2.gz RBYUPUXRORGERE-UHFFFAOYSA-N 0 2 288.391 3.951 20 30 CHEDLN N#CC1=C(Nc2ccc3ncsc3c2)SCC1=O ZINC001174365320 1132822223 /nfs/dbraw/zinc/82/22/23/1132822223.db2.gz WRKXJXBIFAASPL-UHFFFAOYSA-N 0 2 273.342 3.679 20 30 CHEDLN Cn1cc(NC2=C(C#N)C(=O)CS2)c2ccccc21 ZINC001203419613 1133324681 /nfs/dbraw/zinc/32/46/81/1133324681.db2.gz PXVSGVILHBFPOD-UHFFFAOYSA-N 0 2 269.329 3.561 20 30 CHEDLN N#CC1=C(Nc2cccc3cc[nH]c32)SCC1=O ZINC001210210566 1134166881 /nfs/dbraw/zinc/16/68/81/1134166881.db2.gz ZTJCLNRGEAOMST-UHFFFAOYSA-N 0 2 255.302 3.550 20 30 CHEDLN COc1cccc(NC2=C(C#N)C(=O)CS2)c1C1CC1 ZINC001213800629 1134485503 /nfs/dbraw/zinc/48/55/03/1134485503.db2.gz DQACKXHIDVCGAS-UHFFFAOYSA-N 0 2 286.356 3.955 20 30 CHEDLN COc1c(C)ccc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001214530144 1134547321 /nfs/dbraw/zinc/54/73/21/1134547321.db2.gz RFPBLRPKENVNLN-UHFFFAOYSA-N 0 2 278.308 3.525 20 30 CHEDLN CSc1ccc(F)cc1NC1=C(C#N)C(=O)CS1 ZINC001215448262 1134628660 /nfs/dbraw/zinc/62/86/60/1134628660.db2.gz ARZHWFDTQKJDJC-UHFFFAOYSA-N 0 2 280.349 3.930 20 30 CHEDLN C=CC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)c1ccccc1 ZINC001226220982 1135673949 /nfs/dbraw/zinc/67/39/49/1135673949.db2.gz DSHVWTGLVLMCEN-OAHLLOKOSA-N 0 2 280.327 3.664 20 30 CHEDLN N#CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000397130322 329342700 /nfs/dbraw/zinc/34/27/00/329342700.db2.gz URKYWXQPLXLQJI-GVDBMIGSSA-N 0 2 288.435 3.745 20 30 CHEDLN CCc1cc(C(=O)C(C#N)c2nc(C)cs2)sc1C ZINC000041520923 329565700 /nfs/dbraw/zinc/56/57/00/329565700.db2.gz HVLPJMRLZFZITB-NSHDSACASA-N 0 2 290.413 3.874 20 30 CHEDLN C=CCCC[C@H](C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436994792 330690572 /nfs/dbraw/zinc/69/05/72/330690572.db2.gz FYTAQEXUTCXHOE-VIFPVBQESA-N 0 2 285.746 3.659 20 30 CHEDLN N#CC[C@@H]1CC[C@H](Nc2nc(C3CCCCC3)ns2)C1 ZINC000333890856 534711535 /nfs/dbraw/zinc/71/15/35/534711535.db2.gz XBDPMBPTAOYBAZ-AAEUAGOBSA-N 0 2 290.436 3.502 20 30 CHEDLN Cc1cccc2c1CC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000729641023 1125482083 /nfs/dbraw/zinc/48/20/83/1125482083.db2.gz ANXYUHIDUDIMLY-LTKMBJGESA-N 0 2 296.326 3.715 20 30 CHEDLN CC(C)c1csc(C(C#N)=C(O)C2=CCCC2)n1 ZINC000121738726 1118973869 /nfs/dbraw/zinc/97/38/69/1118973869.db2.gz LSAHQBCIMDZNMO-NSHDSACASA-N 0 2 260.362 3.553 20 30 CHEDLN CCC[C@@H](C)[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)C ZINC001233919291 1132698825 /nfs/dbraw/zinc/69/88/25/1132698825.db2.gz DWDZOVQEILFXAD-IAQYHMDHSA-N 0 2 276.380 3.807 20 30 CHEDLN N#Cc1ncc(Nc2ccc(Cl)c(O)c2F)cc1Cl ZINC001214797928 1134573666 /nfs/dbraw/zinc/57/36/66/1134573666.db2.gz KEXCREZWPDKIHP-UHFFFAOYSA-N 0 2 298.104 3.848 20 30 CHEDLN C[C@@H](CC(C)(C)S)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225884522 1135634260 /nfs/dbraw/zinc/63/42/60/1135634260.db2.gz HZDRCNAOZNZSTH-YFKPBYRVSA-N 0 2 298.301 3.814 20 30 CHEDLN Cn1c(NC2=C(C#N)C(=O)CS2)cc2ccccc21 ZINC001212042927 1125659532 /nfs/dbraw/zinc/65/95/32/1125659532.db2.gz CXJBIFLZSYQGIW-UHFFFAOYSA-N 0 2 269.329 3.561 20 30 CHEDLN COc1c(Cl)ccc(NC2=C(C#N)C(=O)CS2)c1F ZINC001212583157 1129687771 /nfs/dbraw/zinc/68/77/71/1129687771.db2.gz IPLCFUPFOGIESD-UHFFFAOYSA-N 0 2 298.726 3.870 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2CCCC(C)(C)C2)n1 ZINC000179376125 1126756208 /nfs/dbraw/zinc/75/62/08/1126756208.db2.gz GVFDUSIMMQWYFO-NWDGAFQWSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(CC(C)C)CCC2)n1 ZINC000151039654 1127120445 /nfs/dbraw/zinc/12/04/45/1127120445.db2.gz YFLDIXDZGOXFPQ-GFCCVEGCSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2(CC(C)C)CCC2)n1 ZINC000151039654 1127120448 /nfs/dbraw/zinc/12/04/48/1127120448.db2.gz YFLDIXDZGOXFPQ-GFCCVEGCSA-N 0 2 276.405 3.844 20 30 CHEDLN C=CCC[C@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000291275078 1127414912 /nfs/dbraw/zinc/41/49/12/1127414912.db2.gz LRPNNNOTLFKTGJ-NWDGAFQWSA-N 0 2 289.272 3.711 20 30 CHEDLN C=CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 ZINC000291275078 1127414914 /nfs/dbraw/zinc/41/49/14/1127414914.db2.gz LRPNNNOTLFKTGJ-NWDGAFQWSA-N 0 2 289.272 3.711 20 30 CHEDLN Cc1ccccc1C[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000917556872 1128506994 /nfs/dbraw/zinc/50/69/94/1128506994.db2.gz QDHVQRGDUQBWHQ-FHNWIRHTSA-N 0 2 298.342 3.659 20 30 CHEDLN N#CC(C(=O)CC1CCCCC1)c1nc2ccccc2o1 ZINC000041547848 1128546990 /nfs/dbraw/zinc/54/69/90/1128546990.db2.gz JEWSVJJKQLUWDX-CYBMUJFWSA-N 0 2 282.343 3.974 20 30 CHEDLN CCc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)sc1C ZINC000041574573 1128548141 /nfs/dbraw/zinc/54/81/41/1128548141.db2.gz YUEYXMQCTJDZKA-ZDUSSCGKSA-N 0 2 299.399 3.516 20 30 CHEDLN C[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)[C@H]1C ZINC000920943100 1128695683 /nfs/dbraw/zinc/69/56/83/1128695683.db2.gz NMLWONCHPJZJMC-BQESUSLJSA-N 0 2 276.336 3.544 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)cc1C ZINC000748147804 1118378830 /nfs/dbraw/zinc/37/88/30/1118378830.db2.gz JUSYONRWAYPLQF-YVMONPNESA-N 0 2 297.310 3.813 20 30 CHEDLN CSc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000255389588 1118748073 /nfs/dbraw/zinc/74/80/73/1118748073.db2.gz WMMFRJLEUOQFBH-UHFFFAOYSA-N 0 2 288.328 3.773 20 30 CHEDLN C[C@H](CCc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000022727117 1118822846 /nfs/dbraw/zinc/82/28/46/1118822846.db2.gz WFBQPYSKLGBAAL-RNEAKCBISA-N 0 2 298.342 3.741 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C2=CCCC2)n1 ZINC000121738726 1118973868 /nfs/dbraw/zinc/97/38/68/1118973868.db2.gz LSAHQBCIMDZNMO-NSHDSACASA-N 0 2 260.362 3.553 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C=Cc2ccco2)n1 ZINC000255480374 1119013367 /nfs/dbraw/zinc/01/33/67/1119013367.db2.gz HOIZJSZGSYHWQA-FOQNGQEVSA-N 0 2 286.356 3.749 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)c2ccc(F)s2)n1 ZINC000659115208 1120068141 /nfs/dbraw/zinc/06/81/41/1120068141.db2.gz RAGFWEOIMNSIKN-QMMMGPOBSA-N 0 2 294.376 3.957 20 30 CHEDLN N#CC1=C(Nc2ccc3c(c2)CCCC3=O)SCC1=O ZINC001213102242 1120679024 /nfs/dbraw/zinc/67/90/24/1120679024.db2.gz QZRIOGCSENWDMC-UHFFFAOYSA-N 0 2 284.340 3.588 20 30 CHEDLN C=CCCCCCCNC(=O)c1cccc(Cl)c1O ZINC001128749056 1121145947 /nfs/dbraw/zinc/14/59/47/1121145947.db2.gz XFOKBUFVENHODM-UHFFFAOYSA-N 0 2 281.783 3.912 20 30 CHEDLN N#Cc1cccc(F)c1Nc1c(F)cc(F)c(O)c1F ZINC001176670487 1121671144 /nfs/dbraw/zinc/67/11/44/1121671144.db2.gz WHFWTXMWDCNMRT-UHFFFAOYSA-N 0 2 282.196 3.564 20 30 CHEDLN N#Cc1c(F)cccc1Nc1c(F)cc(F)c(O)c1F ZINC001176670105 1121671201 /nfs/dbraw/zinc/67/12/01/1121671201.db2.gz RIQUXWBVFLCIEV-UHFFFAOYSA-N 0 2 282.196 3.564 20 30 CHEDLN CCCC(=NNc1cnnc(O)c1Cl)C1CCCCC1 ZINC000727777364 1121738678 /nfs/dbraw/zinc/73/86/78/1121738678.db2.gz NDKHUINMVNWXEF-UHFFFAOYSA-N 0 2 296.802 3.984 20 30 CHEDLN CCC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000729149723 1121757659 /nfs/dbraw/zinc/75/76/59/1121757659.db2.gz OGWROWSWZGZXOK-DZBQEORWSA-N 0 2 299.330 3.656 20 30 CHEDLN N#Cc1cc(NC(=O)c2ccc(F)cc2O)ccc1C1CC1 ZINC001184191340 1122258020 /nfs/dbraw/zinc/25/80/20/1122258020.db2.gz UWQLQLATHQZFLH-UHFFFAOYSA-N 0 2 296.301 3.533 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC=CCC2)n1 ZINC000080459093 1129101549 /nfs/dbraw/zinc/10/15/49/1129101549.db2.gz PQWXQKZULIVZCK-NWDGAFQWSA-N 0 2 274.389 3.799 20 30 CHEDLN Cc1csc(C(C#N)C(=O)CC2=CCCCC2)n1 ZINC000106982279 1123215777 /nfs/dbraw/zinc/21/57/77/1123215777.db2.gz ONJLKRPBXOSWTH-LBPRGKRZSA-N 0 2 260.362 3.518 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC2=CCCCC2)n1 ZINC000106982279 1123215779 /nfs/dbraw/zinc/21/57/79/1123215779.db2.gz ONJLKRPBXOSWTH-LBPRGKRZSA-N 0 2 260.362 3.518 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C2CC3(CC3)C2)n1 ZINC000850874354 1123307436 /nfs/dbraw/zinc/30/74/36/1123307436.db2.gz ZEOVTEQZWUIXAS-NSHDSACASA-N 0 2 274.389 3.633 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H](C)CC2CCCC2)n1 ZINC000114617302 1123569747 /nfs/dbraw/zinc/56/97/47/1123569747.db2.gz FUNHPMGFPPEQRJ-GWCFXTLKSA-N 0 2 276.405 3.844 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C2CCC(C(F)F)CC2)c1 ZINC000840710558 1123715085 /nfs/dbraw/zinc/71/50/85/1123715085.db2.gz KEGHLVJZJVDWHD-CAOOACKPSA-N 0 2 298.289 3.543 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC000870226115 1124550335 /nfs/dbraw/zinc/55/03/35/1124550335.db2.gz ZSVNMHRGXRIJQD-KIJLLGNVSA-N 0 2 288.416 3.735 20 30 CHEDLN CC[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000026302442 1125363813 /nfs/dbraw/zinc/36/38/13/1125363813.db2.gz LTYXEMVHKWAYLO-RNEAKCBISA-N 0 2 298.342 3.913 20 30 CHEDLN N#C[C@@H](C(=O)CCC1CC1)c1nc2cc(F)ccc2s1 ZINC000734713419 1129319245 /nfs/dbraw/zinc/31/92/45/1129319245.db2.gz NPNIKJIKTFLWAV-NSHDSACASA-N 0 2 288.347 3.802 20 30 CHEDLN Cc1cc(C)c(C#N)c(-c2cc(C(F)(F)F)ccc2O)n1 ZINC001242126149 1129659226 /nfs/dbraw/zinc/65/92/26/1129659226.db2.gz HBXWWYRFEXZGGC-UHFFFAOYSA-N 0 2 292.260 3.962 20 30 CHEDLN Cc1nn(C(C)C)cc1/C=C\C(=O)c1c(O)cccc1F ZINC000901561042 1129936535 /nfs/dbraw/zinc/93/65/35/1129936535.db2.gz LWVMIGVHKXNFDU-FPLPWBNLSA-N 0 2 288.322 3.513 20 30 CHEDLN N#Cc1ccc(NC(=O)c2cccc(F)c2O)c(C2CC2)c1 ZINC001134159661 1130843774 /nfs/dbraw/zinc/84/37/74/1130843774.db2.gz XNSZZMSLJHPXHL-UHFFFAOYSA-N 0 2 296.301 3.533 20 30 CHEDLN CCc1cnc(/C=C/C(=O)c2cc(Cl)ccc2O)s1 ZINC000783710645 1130851455 /nfs/dbraw/zinc/85/14/55/1130851455.db2.gz KYZZUMPIIIDDFE-AATRIKPKSA-N 0 2 293.775 3.961 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000817720807 1131181991 /nfs/dbraw/zinc/18/19/91/1131181991.db2.gz VIQNQLOQFKKJFS-QNWHQSFQSA-N 0 2 288.416 3.879 20 30 CHEDLN N#C[C@@H](C(=O)C[C@@H]1C=CCCC1)c1nc(C2CC2)cs1 ZINC000842946862 1132482075 /nfs/dbraw/zinc/48/20/75/1132482075.db2.gz XRUGAZGGNYANQM-YPMHNXCESA-N 0 2 286.400 3.943 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1C#N ZINC001233919265 1132698595 /nfs/dbraw/zinc/69/85/95/1132698595.db2.gz CKWAPZSMXVIGBF-HZSPNIEDSA-N 0 2 286.375 3.705 20 30 CHEDLN N#Cc1cc(Cl)cc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210398753 1134209236 /nfs/dbraw/zinc/20/92/36/1134209236.db2.gz OWAAQBDQRMOJHP-UHFFFAOYSA-N 0 2 289.678 3.569 20 30 CHEDLN Cc1cnc(C#N)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214796496 1134573244 /nfs/dbraw/zinc/57/32/44/1134573244.db2.gz YQKBBFCQCIPIRH-UHFFFAOYSA-N 0 2 277.686 3.503 20 30 CHEDLN N#Cc1ccc(Nc2ccc(Cl)c(O)c2F)cc1C#N ZINC001214801168 1134574986 /nfs/dbraw/zinc/57/49/86/1134574986.db2.gz BTDQROYFKRZQSA-UHFFFAOYSA-N 0 2 287.681 3.672 20 30 CHEDLN COc1cc(Nc2ccc(Cl)c(O)c2F)ccc1C#N ZINC001214804420 1134576040 /nfs/dbraw/zinc/57/60/40/1134576040.db2.gz RSPBSLBKZYFCTP-UHFFFAOYSA-N 0 2 292.697 3.809 20 30 CHEDLN CCOc1cc(C)cc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001216367409 1134869644 /nfs/dbraw/zinc/86/96/44/1134869644.db2.gz KBEPNLHCUHFHRL-UHFFFAOYSA-N 0 2 292.335 3.915 20 30 CHEDLN C=CC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225620646 1135597928 /nfs/dbraw/zinc/59/79/28/1135597928.db2.gz RZFPAGRMFDFJTO-CQSZACIVSA-N 0 2 285.299 3.997 20 30 CHEDLN C=CC[C@H](CCCC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225626486 1135599251 /nfs/dbraw/zinc/59/92/51/1135599251.db2.gz SACVRIONSUEHIC-LLVKDONJSA-N 0 2 265.309 3.814 20 30 CHEDLN CC[C@@H](C#Cc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624497 1135599265 /nfs/dbraw/zinc/59/92/65/1135599265.db2.gz CUKGGPGVAHLSAF-AWEZNQCLSA-N 0 2 297.310 3.510 20 30 CHEDLN C[C@@H](C#N)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000347121269 226034071 /nfs/dbraw/zinc/03/40/71/226034071.db2.gz ZAHXYIWOQRKJJS-ZDUSSCGKSA-N 0 2 296.395 3.614 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2c(C)oc3ccccc32)n1 ZINC000186186627 333156522 /nfs/dbraw/zinc/15/65/22/333156522.db2.gz NVBSMRHCOMCWBH-LBPRGKRZSA-N 0 2 296.351 3.996 20 30 CHEDLN Cc1cc(F)cc(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000076842863 334090133 /nfs/dbraw/zinc/09/01/33/334090133.db2.gz ZYNDARCTDLNLTL-ZDUSSCGKSA-N 0 2 294.285 3.765 20 30 CHEDLN CC(C)(C)c1[nH]n(CC2=CCCCC2)c(=O)c1CCC#N ZINC000577120556 335303756 /nfs/dbraw/zinc/30/37/56/335303756.db2.gz YOZGRBPLPKGKHK-UHFFFAOYSA-N 0 2 287.407 3.843 20 30 CHEDLN N#C[C@@H](C(=O)C=C1CCCC1)c1nc2ccccc2s1 ZINC000918484298 1128548420 /nfs/dbraw/zinc/54/84/20/1128548420.db2.gz XAAMEXUOPXHYSV-LBPRGKRZSA-N 0 2 282.368 3.973 20 30 CHEDLN Cc1ccc2c(c1)CC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000920177937 1128670485 /nfs/dbraw/zinc/67/04/85/1128670485.db2.gz MLDVKUPLXHVCLC-HKJBKDEOSA-N 0 2 296.326 3.715 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2cc(Cl)ccc2F)c1 ZINC000920945162 1128696431 /nfs/dbraw/zinc/69/64/31/1128696431.db2.gz RDLPZGCTDCQOTP-UHFFFAOYSA-N 0 2 294.669 3.844 20 30 CHEDLN CCCCCCCCCCC[C@@H](C)[NH2+]CS(=O)(=O)[O-] ZINC001258052828 1128705205 /nfs/dbraw/zinc/70/52/05/1128705205.db2.gz SZKHXLBVEJGMNQ-CQSZACIVSA-N 0 2 293.473 3.731 20 30 CHEDLN Cc1ccoc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000048855083 1128732359 /nfs/dbraw/zinc/73/23/59/1128732359.db2.gz KBPJMCUUYSMSSH-ZDUSSCGKSA-N 0 2 276.295 3.626 20 30 CHEDLN CC[C@@H](C)[C@H](C(=O)Nc1nc(C)n[nH]1)c1ccccc1 ZINC000083683135 1118358667 /nfs/dbraw/zinc/35/86/67/1118358667.db2.gz URNUANJQFONHRJ-MFKMUULPSA-N 0 2 272.352 3.531 20 30 CHEDLN Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000255330623 1118641569 /nfs/dbraw/zinc/64/15/69/1118641569.db2.gz FZIXUHLUYCVYOS-VURMDHGXSA-N 0 2 283.283 3.505 20 30 CHEDLN COc1ccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000588480248 1118910999 /nfs/dbraw/zinc/91/09/99/1118910999.db2.gz FWGUCQPHMOGYBE-YWEYNIOJSA-N 0 2 288.730 3.950 20 30 CHEDLN N#CC1=C(Nc2ccc(F)c3ccoc32)SCC1=O ZINC001216296700 1118965921 /nfs/dbraw/zinc/96/59/21/1118965921.db2.gz UVOIJVWRFLDZNF-UHFFFAOYSA-N 0 2 274.276 3.954 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C2CCCC2)n1 ZINC000177742332 1119851447 /nfs/dbraw/zinc/85/14/47/1119851447.db2.gz ULYGVUCMGXTTTR-LLVKDONJSA-N 0 2 262.378 3.633 20 30 CHEDLN Cc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)s1 ZINC000122226586 1120073517 /nfs/dbraw/zinc/07/35/17/1120073517.db2.gz UTOZQMHPPBGMMH-XBLUXWHVSA-N 0 2 290.344 3.850 20 30 CHEDLN N#CC(C(=O)CCc1cccs1)c1nc2ccccc2o1 ZINC000073977289 1120681832 /nfs/dbraw/zinc/68/18/32/1120681832.db2.gz BGWAUWUCMOGCDA-GFCCVEGCSA-N 0 2 296.351 3.698 20 30 CHEDLN N#CC1=C(Nc2cccc3ncccc32)SCC1=O ZINC001174906295 1121086369 /nfs/dbraw/zinc/08/63/69/1121086369.db2.gz ISUXXJORYRYEHS-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN N#CC1=C(Nc2ccc3ncccc3c2)SCC1=O ZINC001175375526 1121304362 /nfs/dbraw/zinc/30/43/62/1121304362.db2.gz KOMWEUCHUNEILM-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN Cc1csc(Nc2c(F)cc(F)c(O)c2F)c1C#N ZINC001176662746 1121679033 /nfs/dbraw/zinc/67/90/33/1121679033.db2.gz WBTOLVGZVMHKIB-UHFFFAOYSA-N 0 2 284.262 3.795 20 30 CHEDLN CC(=NNC1CCCC1)c1ccc(Cl)c(Cl)c1O ZINC000727651474 1121729418 /nfs/dbraw/zinc/72/94/18/1121729418.db2.gz ACCCMRKGJRERMK-UHFFFAOYSA-N 0 2 287.190 3.955 20 30 CHEDLN Cc1cc(C)cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000730435778 1121809304 /nfs/dbraw/zinc/80/93/04/1121809304.db2.gz BQYZHDPXQDWKJM-XQRVVYSFSA-N 0 2 297.310 3.813 20 30 CHEDLN CCCCCCCCS(=O)(=O)Nc1ccccc1C#N ZINC001188013382 1122452321 /nfs/dbraw/zinc/45/23/21/1122452321.db2.gz VYRLFAWEURGTSM-UHFFFAOYSA-N 0 2 294.420 3.660 20 30 CHEDLN C=CCN(C(=O)c1cc(F)c(O)cc1F)C1CCCCC1 ZINC001192872863 1122660317 /nfs/dbraw/zinc/66/03/17/1122660317.db2.gz UQENRALDZOTEAJ-UHFFFAOYSA-N 0 2 295.329 3.631 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CC=CCC2)n1 ZINC000080459086 1129101085 /nfs/dbraw/zinc/10/10/85/1129101085.db2.gz PQWXQKZULIVZCK-RYUDHWBXSA-N 0 2 274.389 3.799 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2CC3(C2)CCCCC3)n1 ZINC000850735641 1123296923 /nfs/dbraw/zinc/29/69/23/1123296923.db2.gz AXMAWEJVECHMOI-CYBMUJFWSA-N 0 2 288.416 3.988 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000850736799 1123297494 /nfs/dbraw/zinc/29/74/94/1123297494.db2.gz NJZXQXHJHVGHIH-JHJVBQTASA-N 0 2 288.416 3.844 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc(C2CC2)cs1 ZINC000851100974 1123324099 /nfs/dbraw/zinc/32/40/99/1123324099.db2.gz QMVLPVWDTGHFBL-FVCCEPFGSA-N 0 2 286.400 3.633 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H](C)Cc2ccccc2)n1 ZINC000112148627 1123482143 /nfs/dbraw/zinc/48/21/43/1123482143.db2.gz NIIYJQMWFUKIRH-RISCZKNCSA-N 0 2 284.384 3.507 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2cc(C)cc(Cl)c2)n1 ZINC000336298392 1123757832 /nfs/dbraw/zinc/75/78/32/1123757832.db2.gz CKLSVQLIRJZECD-LBPRGKRZSA-N 0 2 290.775 3.903 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n1 ZINC000870226118 1124550938 /nfs/dbraw/zinc/55/09/38/1124550938.db2.gz ZSVNMHRGXRIJQD-ZOLYEBIHSA-N 0 2 288.416 3.735 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C23CCC(CC2)C3(C)C)n1 ZINC001122395715 1131299374 /nfs/dbraw/zinc/29/93/74/1131299374.db2.gz WDVFZMRPBMAKPQ-BWBHSNQOSA-N 0 2 288.416 3.844 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C23CCC(CC2)C3(C)C)n1 ZINC001122395715 1131299379 /nfs/dbraw/zinc/29/93/79/1131299379.db2.gz WDVFZMRPBMAKPQ-BWBHSNQOSA-N 0 2 288.416 3.844 20 30 CHEDLN Cc1cc(C)cc(CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000740763561 1129417735 /nfs/dbraw/zinc/41/77/35/1129417735.db2.gz KWXDWBXQMOLMDC-WOJGMQOQSA-N 0 2 298.342 3.579 20 30 CHEDLN N#C[C@H](C(=O)CC1CCC1)c1nc2cc(F)ccc2s1 ZINC000744117853 1129553376 /nfs/dbraw/zinc/55/33/76/1129553376.db2.gz CMQHKDOZBKAIFO-LLVKDONJSA-N 0 2 288.347 3.802 20 30 CHEDLN Cc1cc(C)cc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000254705105 1129705634 /nfs/dbraw/zinc/70/56/34/1129705634.db2.gz ONGGLRPGYSKLST-UHFFFAOYSA-N 0 2 270.288 3.668 20 30 CHEDLN COc1cccc(/C=C/C(=O)c2ccc(O)c(Cl)c2)c1 ZINC000119257544 1129847749 /nfs/dbraw/zinc/84/77/49/1129847749.db2.gz YEJRGKNFCUWGDO-FNORWQNLSA-N 0 2 288.730 3.950 20 30 CHEDLN C[C@H](c1ccccc1)[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000746815361 1130253208 /nfs/dbraw/zinc/25/32/08/1130253208.db2.gz HVBYJULAJLQNDT-PWONOCEESA-N 0 2 298.342 3.912 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CC=CCC2)s1 ZINC000797570377 1130994014 /nfs/dbraw/zinc/99/40/14/1130994014.db2.gz GKIOKBGBPSGPAN-RYUDHWBXSA-N 0 2 288.416 3.973 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000835201095 1131791237 /nfs/dbraw/zinc/79/12/37/1131791237.db2.gz SJWOJIFLYUEWED-MROQNXINSA-N 0 2 288.416 3.879 20 30 CHEDLN N#C[C@H](C(=O)C[C@H]1C=CCC1)c1nc(C2CC2)cs1 ZINC000842938625 1132479644 /nfs/dbraw/zinc/47/96/44/1132479644.db2.gz OFURQHAQCZTVKV-CMPLNLGQSA-N 0 2 272.373 3.553 20 30 CHEDLN C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232627286 1132499132 /nfs/dbraw/zinc/49/91/32/1132499132.db2.gz IBUPRBZYIZVVRH-JTQLQIEISA-N 0 2 284.186 3.544 20 30 CHEDLN C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232627286 1132499136 /nfs/dbraw/zinc/49/91/36/1132499136.db2.gz IBUPRBZYIZVVRH-JTQLQIEISA-N 0 2 284.186 3.544 20 30 CHEDLN Cc1ccnc(C#N)c1Nc1ccc(Cl)c(O)c1F ZINC001214798215 1132552925 /nfs/dbraw/zinc/55/29/25/1132552925.db2.gz NQNQFXYQUDRKFE-UHFFFAOYSA-N 0 2 277.686 3.503 20 30 CHEDLN CCC[C@@H](C)[C@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919308 1132698078 /nfs/dbraw/zinc/69/80/78/1132698078.db2.gz GIHYBUZLHYRRDR-MFKMUULPSA-N 0 2 262.353 3.561 20 30 CHEDLN N#Cc1cc(Cl)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210401170 1134209518 /nfs/dbraw/zinc/20/95/18/1134209518.db2.gz QPONTEQPBLDMGH-UHFFFAOYSA-N 0 2 289.678 3.569 20 30 CHEDLN CSc1ccc(NC2=C(C#N)C(=O)CS2)cc1F ZINC001211107749 1134369384 /nfs/dbraw/zinc/36/93/84/1134369384.db2.gz AKNCHPYKNPNOAZ-UHFFFAOYSA-N 0 2 280.349 3.930 20 30 CHEDLN N#Cc1c2cccnc2ccc1-c1cc(F)c(O)cc1F ZINC001211360832 1134412180 /nfs/dbraw/zinc/41/21/80/1134412180.db2.gz XLSAOYSGCOUROA-UHFFFAOYSA-N 0 2 282.249 3.757 20 30 CHEDLN COc1ccc(C#N)c(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214802107 1134574695 /nfs/dbraw/zinc/57/46/95/1134574695.db2.gz VQYKHPGOUZIDGP-UHFFFAOYSA-N 0 2 292.697 3.809 20 30 CHEDLN COc1ccc(NC2=C(C#N)C(=O)CS2)cc1SC ZINC001215933396 1134724680 /nfs/dbraw/zinc/72/46/80/1134724680.db2.gz OLEDDJWKOGEVJA-UHFFFAOYSA-N 0 2 292.385 3.799 20 30 CHEDLN N#CC1=C(Nc2cccc(Cl)c2C#N)SCC1=O ZINC001216127285 1134785592 /nfs/dbraw/zinc/78/55/92/1134785592.db2.gz PXCQHUHVADAYQN-UHFFFAOYSA-N 0 2 275.720 3.594 20 30 CHEDLN Cc1ccc(-c2noc(-c3cccc(C#N)c3O)n2)cc1C ZINC001216979499 1134956214 /nfs/dbraw/zinc/95/62/14/1134956214.db2.gz ABAGTSDDWKUDKR-UHFFFAOYSA-N 0 2 291.310 3.598 20 30 CHEDLN C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620108 1135597828 /nfs/dbraw/zinc/59/78/28/1135597828.db2.gz MRPPADYEDRPBJJ-IUODEOHRSA-N 0 2 289.331 3.980 20 30 CHEDLN C=C(C)[C@H]1CC=C(C)[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620109 1135598255 /nfs/dbraw/zinc/59/82/55/1135598255.db2.gz MRPPADYEDRPBJJ-SWLSCSKDSA-N 0 2 289.331 3.980 20 30 CHEDLN CCc1ccsc1C(=O)C(C#N)c1nc(C)cs1 ZINC000049004228 329633921 /nfs/dbraw/zinc/63/39/21/329633921.db2.gz DNRLCGJRIIUUNN-SNVBAGLBSA-N 0 2 276.386 3.566 20 30 CHEDLN Cc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)[nH+]1 ZINC000430600746 330569598 /nfs/dbraw/zinc/56/95/98/330569598.db2.gz YJAKQCOWJKYJFH-LLVKDONJSA-N 0 2 299.399 3.634 20 30 CHEDLN CCOc1ccc(NC2=C(C#N)C(=O)CS2)cc1F ZINC001175067670 1121147079 /nfs/dbraw/zinc/14/70/79/1121147079.db2.gz HENCQPPDLXGYBK-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2CC(C(C)(C)C)C2)n1 ZINC000838783346 1132145749 /nfs/dbraw/zinc/14/57/49/1132145749.db2.gz GKQIHFJULBGPJD-HTAVTVPLSA-N 0 2 276.405 3.700 20 30 CHEDLN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2o1 ZINC000054735034 1127138026 /nfs/dbraw/zinc/13/80/26/1127138026.db2.gz ILDYJBDNNWGLKF-ABZNLYFFSA-N 0 2 294.335 3.779 20 30 CHEDLN Cc1ccccc1C[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000917556874 1128507423 /nfs/dbraw/zinc/50/74/23/1128507423.db2.gz QDHVQRGDUQBWHQ-NCUBORBFSA-N 0 2 298.342 3.659 20 30 CHEDLN N#C[C@@H](C(=O)C1CCC1)c1nc(-c2ccccc2)cs1 ZINC000041535761 1128547395 /nfs/dbraw/zinc/54/73/95/1128547395.db2.gz HPRHWFHIZCSPPJ-ZDUSSCGKSA-N 0 2 282.368 3.786 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cc3ccccc3o2)n1 ZINC000920104119 1128664742 /nfs/dbraw/zinc/66/47/42/1128664742.db2.gz OQUXHLYPXURBGW-ZDUSSCGKSA-N 0 2 296.351 3.617 20 30 CHEDLN N#CC(C(=O)CCC1CCC1)c1nc2ccccc2o1 ZINC000175123110 1128717383 /nfs/dbraw/zinc/71/73/83/1128717383.db2.gz ORHXODGXPFCCTN-LBPRGKRZSA-N 0 2 268.316 3.584 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C2CC(c3ccccc3)C2)c1 ZINC000728226592 1118032813 /nfs/dbraw/zinc/03/28/13/1118032813.db2.gz UTPWEZVLFMTYIL-WOJGMQOQSA-N 0 2 296.326 3.666 20 30 CHEDLN Cc1ncccc1/C=C\C(=O)c1cc(Cl)ccc1O ZINC000255192047 1118416181 /nfs/dbraw/zinc/41/61/81/1118416181.db2.gz YWUCJMKDCVTPFP-XQRVVYSFSA-N 0 2 273.719 3.645 20 30 CHEDLN Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccn1 ZINC000342378116 1118996151 /nfs/dbraw/zinc/99/61/51/1118996151.db2.gz XYODAQAIDYKHEC-GFCCVEGCSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC(C)(C)CC(F)F)n1 ZINC000892419190 1119660469 /nfs/dbraw/zinc/66/04/69/1119660469.db2.gz ZJQCOPJJIBDMLQ-SECBINFHSA-N 0 2 286.347 3.699 20 30 CHEDLN N#CC(C(=O)c1occ2c1CCC2)c1nc(C2CC2)cs1 ZINC000647379695 1119712379 /nfs/dbraw/zinc/71/23/79/1119712379.db2.gz FCOLNQBRGPVUPY-LBPRGKRZSA-N 0 2 298.367 3.592 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C=Cc2ccco2)n1 ZINC000177742235 1119851591 /nfs/dbraw/zinc/85/15/91/1119851591.db2.gz HOIZJSZGSYHWQA-FYJFLYSWSA-N 0 2 286.356 3.749 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC000892803747 1120144383 /nfs/dbraw/zinc/14/43/83/1120144383.db2.gz VWJZKDBMHVXYOE-AVGNSLFASA-N 0 2 288.416 3.879 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cccc(Cl)c2)n1 ZINC000070031165 1128932929 /nfs/dbraw/zinc/93/29/29/1128932929.db2.gz KMXCFFDMGZCGMV-GFCCVEGCSA-N 0 2 290.775 3.524 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)Cc2cccc(Cl)c2)n1 ZINC000070031165 1128932932 /nfs/dbraw/zinc/93/29/32/1128932932.db2.gz KMXCFFDMGZCGMV-GFCCVEGCSA-N 0 2 290.775 3.524 20 30 CHEDLN CCOc1ccc(NC2=C(C#N)C(=O)CS2)c(F)c1F ZINC001175149591 1121185889 /nfs/dbraw/zinc/18/58/89/1121185889.db2.gz ADYMHQAXMGNIGG-UHFFFAOYSA-N 0 2 296.298 3.746 20 30 CHEDLN N#CC1=C(Nc2cc(Cl)ccc2F)SCC1=O ZINC001175298897 1121260965 /nfs/dbraw/zinc/26/09/65/1121260965.db2.gz SPZRVBWFEIDUQG-UHFFFAOYSA-N 0 2 268.700 3.861 20 30 CHEDLN CCCCNN=C(C)c1ccc(Cl)c(Cl)c1O ZINC000727651315 1121728725 /nfs/dbraw/zinc/72/87/25/1121728725.db2.gz SRAWZDIXVCLOSN-UHFFFAOYSA-N 0 2 275.179 3.813 20 30 CHEDLN Oc1c(Cl)cc(Cl)cc1C=NNC1CCCC1 ZINC000727652607 1121731071 /nfs/dbraw/zinc/73/10/71/1121731071.db2.gz TVUDKHUFEWXCSD-UHFFFAOYSA-N 0 2 273.163 3.565 20 30 CHEDLN CCCC(N=Nc1nc(C)cc(=O)[nH]1)C1CCCCC1 ZINC000727779408 1121740036 /nfs/dbraw/zinc/74/00/36/1121740036.db2.gz ASVKTEMHXZRHRM-UHFFFAOYSA-N 0 2 276.384 3.639 20 30 CHEDLN N#Cc1ccc(F)c(-c2cc(F)c(O)c(Cl)c2)c1 ZINC001250633728 1122865755 /nfs/dbraw/zinc/86/57/55/1122865755.db2.gz DELDBEQGMPYDSY-UHFFFAOYSA-N 0 2 265.646 3.862 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)C(C)C)n1 ZINC000080460287 1129101315 /nfs/dbraw/zinc/10/13/15/1129101315.db2.gz NWMLTVICRFYMBS-GHMZBOCLSA-N 0 2 264.394 3.735 20 30 CHEDLN CCCCCCCCCCS(=O)(=O)Nc1ccon1 ZINC001201831414 1123154004 /nfs/dbraw/zinc/15/40/04/1123154004.db2.gz RGHBWZYFXXMVBC-UHFFFAOYSA-N 0 2 288.413 3.557 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H](C)c2ccccc2F)n1 ZINC000109038228 1123236418 /nfs/dbraw/zinc/23/64/18/1123236418.db2.gz UAAAVLXQMHWPBP-JQWIXIFHSA-N 0 2 288.347 3.571 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCC3(CC3)C2)n1 ZINC000850737073 1123297391 /nfs/dbraw/zinc/29/73/91/1123297391.db2.gz QERCSIROGDCBDV-VXGBXAGGSA-N 0 2 274.389 3.598 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CC23CCC3)s1 ZINC000797571435 1123305185 /nfs/dbraw/zinc/30/51/85/1123305185.db2.gz RHJTWWSATJIPLE-QWRGUYRKSA-N 0 2 288.416 3.807 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC[C@@H](C)C2)n1 ZINC000776528276 1123354092 /nfs/dbraw/zinc/35/40/92/1123354092.db2.gz NEXCNPMAKYUWEM-UTUOFQBUSA-N 0 2 276.405 3.879 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H](C)Cc2ccccc2)n1 ZINC000112148624 1123482059 /nfs/dbraw/zinc/48/20/59/1123482059.db2.gz NIIYJQMWFUKIRH-FZMZJTMJSA-N 0 2 284.384 3.507 20 30 CHEDLN N#C[C@@H](C(=O)C1CCCC1)c1nc(-c2ccncc2)cs1 ZINC000114620076 1123569636 /nfs/dbraw/zinc/56/96/36/1123569636.db2.gz HXXCWMAWQFMZMI-ZDUSSCGKSA-N 0 2 297.383 3.572 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC2CCC(F)(F)CC2)n1 ZINC000860450200 1123733021 /nfs/dbraw/zinc/73/30/21/1123733021.db2.gz OKQXRKDUKCIZTE-NSHDSACASA-N 0 2 298.358 3.843 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC000870226116 1124550537 /nfs/dbraw/zinc/55/05/37/1124550537.db2.gz ZSVNMHRGXRIJQD-NZEXEKPDSA-N 0 2 288.416 3.735 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)C2(C)CC=CC2)n1 ZINC001122685338 1131302907 /nfs/dbraw/zinc/30/29/07/1131302907.db2.gz MMOXXHVNHURIPV-LLVKDONJSA-N 0 2 274.389 3.799 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C2(C)CC=CC2)n1 ZINC001122685338 1131302914 /nfs/dbraw/zinc/30/29/14/1131302914.db2.gz MMOXXHVNHURIPV-LLVKDONJSA-N 0 2 274.389 3.799 20 30 CHEDLN CCCCCCCS(=O)(=O)Nc1noc2ccccc21 ZINC000795588854 1129378419 /nfs/dbraw/zinc/37/84/19/1129378419.db2.gz XIPUBFUCNZTVFS-UHFFFAOYSA-N 0 2 296.392 3.540 20 30 CHEDLN N#C[C@H](C(=O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035851 1129968624 /nfs/dbraw/zinc/96/86/24/1129968624.db2.gz MGWMDZNHOXJCTK-ABZNLYFFSA-N 0 2 293.351 3.514 20 30 CHEDLN N#CC(=C(O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035851 1129968627 /nfs/dbraw/zinc/96/86/27/1129968627.db2.gz MGWMDZNHOXJCTK-ABZNLYFFSA-N 0 2 293.351 3.514 20 30 CHEDLN C=CCCCCCCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000811590642 1130623682 /nfs/dbraw/zinc/62/36/82/1130623682.db2.gz BDCSGUNUTUNART-UHFFFAOYSA-N 0 2 297.345 3.927 20 30 CHEDLN C=CCC[C@@H](CC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234822397 1130678646 /nfs/dbraw/zinc/67/86/46/1130678646.db2.gz WNCADOPNLPAYKV-CYBMUJFWSA-N 0 2 288.343 3.931 20 30 CHEDLN N#Cc1cc2[nH]ccc2c(-c2c(F)cc(F)c(O)c2F)c1 ZINC001236002241 1130829288 /nfs/dbraw/zinc/82/92/88/1130829288.db2.gz LLUGKGQLACOLMP-UHFFFAOYSA-N 0 2 288.228 3.829 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(C3CCC3)CCC2)n1 ZINC000835036592 1131760288 /nfs/dbraw/zinc/76/02/88/1131760288.db2.gz MPBBYJIDPMUBFS-GFCCVEGCSA-N 0 2 274.389 3.598 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2(C3CCC3)CCC2)n1 ZINC000835036592 1131760292 /nfs/dbraw/zinc/76/02/92/1131760292.db2.gz MPBBYJIDPMUBFS-GFCCVEGCSA-N 0 2 274.389 3.598 20 30 CHEDLN N#C[C@@H]1CCCCN1Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140832106 1131941558 /nfs/dbraw/zinc/94/15/58/1131941558.db2.gz AMFCGZCATBDZGQ-JTQLQIEISA-N 0 2 285.174 3.577 20 30 CHEDLN N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001140834462 1131942118 /nfs/dbraw/zinc/94/21/18/1131942118.db2.gz MGJQTVUMFCXGLS-JTQLQIEISA-N 0 2 299.201 3.825 20 30 CHEDLN N#C[C@H]1CCC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001140834462 1131942121 /nfs/dbraw/zinc/94/21/21/1131942121.db2.gz MGJQTVUMFCXGLS-JTQLQIEISA-N 0 2 299.201 3.825 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000842678002 1132451124 /nfs/dbraw/zinc/45/11/24/1132451124.db2.gz QKKONGSAQRPLDV-TUAOUCFPSA-N 0 2 276.405 3.700 20 30 CHEDLN N#CC(C(=O)[C@@H]1Cc2ccccc21)c1nc(C2CC2)cs1 ZINC000842942132 1132480460 /nfs/dbraw/zinc/48/04/60/1132480460.db2.gz WFZBLCUXUKVWOC-KGLIPLIRSA-N 0 2 294.379 3.537 20 30 CHEDLN C=C[C@@H](CCCC)Oc1cc(O)cc2occc(=O)c12 ZINC001233835495 1132688049 /nfs/dbraw/zinc/68/80/49/1132688049.db2.gz ZHCGOUWEPILFKS-LBPRGKRZSA-N 0 2 274.316 3.622 20 30 CHEDLN Cc1cc(=O)[nH]c(OC(CC(C)C)CC(C)C)c1C#N ZINC001233915269 1132697581 /nfs/dbraw/zinc/69/75/81/1132697581.db2.gz GFMAREBADWFGJQ-UHFFFAOYSA-N 0 2 276.380 3.807 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC001233919263 1132698480 /nfs/dbraw/zinc/69/84/80/1132698480.db2.gz CKWAPZSMXVIGBF-BFHYXJOUSA-N 0 2 286.375 3.705 20 30 CHEDLN CC(C)Oc1ccc(NC2=C(C#N)C(=O)CS2)cc1 ZINC001174107990 1132723800 /nfs/dbraw/zinc/72/38/00/1132723800.db2.gz WLGUVBWQXDWZPW-UHFFFAOYSA-N 0 2 274.345 3.856 20 30 CHEDLN ON=Cc1ccccc1-c1c(F)cc(F)c(F)c1F ZINC001205198632 1133544871 /nfs/dbraw/zinc/54/48/71/1133544871.db2.gz QGULABHYZNCGEB-UHFFFAOYSA-N 0 2 269.197 3.718 20 30 CHEDLN N#Cc1sccc1Nc1ccc(Cl)c(O)c1F ZINC001214795860 1134573095 /nfs/dbraw/zinc/57/30/95/1134573095.db2.gz AHYQWYZXETUSIT-UHFFFAOYSA-N 0 2 268.700 3.861 20 30 CHEDLN N#Cc1nc(Cl)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214790974 1134573490 /nfs/dbraw/zinc/57/34/90/1134573490.db2.gz DOYMEYOTIVEMSY-UHFFFAOYSA-N 0 2 298.104 3.848 20 30 CHEDLN CCOc1ccc(C)c(F)c1NC1=C(C#N)C(=O)CS1 ZINC001215761706 1134678903 /nfs/dbraw/zinc/67/89/03/1134678903.db2.gz LVUAEORZBSQUEA-UHFFFAOYSA-N 0 2 292.335 3.915 20 30 CHEDLN CSc1cccc(NC2=C(C#N)C(=O)CS2)c1F ZINC001215867773 1134707541 /nfs/dbraw/zinc/70/75/41/1134707541.db2.gz OLRURYMMCRLIFL-UHFFFAOYSA-N 0 2 280.349 3.930 20 30 CHEDLN N#Cc1cccc(-c2noc(-c3ccc(Cl)cc3O)n2)c1 ZINC001215916387 1134718304 /nfs/dbraw/zinc/71/83/04/1134718304.db2.gz BWJGQMFNPIVBEL-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN CCc1ccc(-c2noc(-c3ccc(C#N)cc3O)n2)cc1 ZINC001217038782 1134959443 /nfs/dbraw/zinc/95/94/43/1134959443.db2.gz GWJIBCLBROIMGM-UHFFFAOYSA-N 0 2 291.310 3.543 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccc(Cl)cc2)c1C#N ZINC001226220838 1135673895 /nfs/dbraw/zinc/67/38/95/1135673895.db2.gz CRIKAMWRWICFSF-JTQLQIEISA-N 0 2 288.734 3.761 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H](c2ccccc2)C(C)C)c1C#N ZINC001226221610 1135673995 /nfs/dbraw/zinc/67/39/95/1135673995.db2.gz NWJLRDHYBBDFOF-MRXNPFEDSA-N 0 2 282.343 3.743 20 30 CHEDLN Cc1ccc(Cn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)cc1 ZINC000151841589 261055860 /nfs/dbraw/zinc/05/58/60/261055860.db2.gz HGBOIWIUJHIVJJ-UHFFFAOYSA-N 0 2 297.402 3.699 20 30 CHEDLN CCc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000178257287 261383453 /nfs/dbraw/zinc/38/34/53/261383453.db2.gz HQUZOHWNLKEOQE-CQSZACIVSA-N 0 2 290.322 3.880 20 30 CHEDLN CCc1ccccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178257287 261383454 /nfs/dbraw/zinc/38/34/54/261383454.db2.gz HQUZOHWNLKEOQE-CQSZACIVSA-N 0 2 290.322 3.880 20 30 CHEDLN Cc1ccc(F)cc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000073977154 329862959 /nfs/dbraw/zinc/86/29/59/329862959.db2.gz RHOYMZMOWJEPOP-ZDUSSCGKSA-N 0 2 294.285 3.765 20 30 CHEDLN O=C([O-])C1(C/[NH+]=C/c2c(O)ccc3ccccc32)CCCC1 ZINC000833174520 601366075 /nfs/dbraw/zinc/36/60/75/601366075.db2.gz QYOKNCUJYRUKET-YBFXNURJSA-N 0 2 297.354 3.609 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC23CCC3)n1 ZINC000759852274 1120585046 /nfs/dbraw/zinc/58/50/46/1120585046.db2.gz XEUGBXCKXXALTF-GHMZBOCLSA-N 0 2 274.389 3.633 20 30 CHEDLN CCC[C@@H](C)[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C(C)C ZINC001233919290 1132697959 /nfs/dbraw/zinc/69/79/59/1132697959.db2.gz DWDZOVQEILFXAD-ABAIWWIYSA-N 0 2 276.380 3.807 20 30 CHEDLN CCc1oc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1C ZINC000161174783 1126803283 /nfs/dbraw/zinc/80/32/83/1126803283.db2.gz HUIMUYIJXKAWIC-LLVKDONJSA-N 0 2 293.326 3.517 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2cc3occc3s2)n1 ZINC000606146183 1127752026 /nfs/dbraw/zinc/75/20/26/1127752026.db2.gz LJKYZRVMKAKUPO-QMMMGPOBSA-N 0 2 288.353 3.749 20 30 CHEDLN CC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C1CCCCC1 ZINC001233919333 1128065121 /nfs/dbraw/zinc/06/51/21/1128065121.db2.gz GTYIKQUPKFOSFC-CQSZACIVSA-N 0 2 274.364 3.705 20 30 CHEDLN N#CC(C(=O)C1CCC1)c1nc2cc(Cl)ccc2s1 ZINC000917045096 1128469037 /nfs/dbraw/zinc/46/90/37/1128469037.db2.gz XHOMIGMCIJDFNC-JTQLQIEISA-N 0 2 290.775 3.926 20 30 CHEDLN N#C[C@@H](C(=O)C1CCC1)c1nc2cc(Cl)ccc2s1 ZINC000917045096 1128469041 /nfs/dbraw/zinc/46/90/41/1128469041.db2.gz XHOMIGMCIJDFNC-JTQLQIEISA-N 0 2 290.775 3.926 20 30 CHEDLN Cc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000917559273 1128505971 /nfs/dbraw/zinc/50/59/71/1128505971.db2.gz JGIFLRVOAQAIGK-VAKHEIKFSA-N 0 2 284.315 3.789 20 30 CHEDLN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2o1 ZINC000255086474 1118192645 /nfs/dbraw/zinc/19/26/45/1118192645.db2.gz ILDYJBDNNWGLKF-KRZKBDHCSA-N 0 2 294.335 3.779 20 30 CHEDLN CCC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000255423005 1118907193 /nfs/dbraw/zinc/90/71/93/1118907193.db2.gz GQBMJIXFRAEBOD-UHFFFAOYSA-N 0 2 298.298 3.644 20 30 CHEDLN CC(C)Oc1cc(F)ccc1NC1=C(C#N)C(=O)CS1 ZINC001212292024 1128823901 /nfs/dbraw/zinc/82/39/01/1128823901.db2.gz JLDMRPBSJKALLH-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN N#CC(C(=O)C1(C2CC2)CC1)c1nc2ccccc2s1 ZINC000892425025 1119699745 /nfs/dbraw/zinc/69/97/45/1119699745.db2.gz LLWICRWSFCCZKJ-NSHDSACASA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@@H](C(=O)C1(C2CC2)CC1)c1nc2ccccc2s1 ZINC000892425025 1119699746 /nfs/dbraw/zinc/69/97/46/1119699746.db2.gz LLWICRWSFCCZKJ-NSHDSACASA-N 0 2 282.368 3.663 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)CC(C)(C)C)n1 ZINC000177742385 1119851682 /nfs/dbraw/zinc/85/16/82/1119851682.db2.gz FIVIBWPRNJPMJR-SNVBAGLBSA-N 0 2 264.394 3.879 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CC2CCC2)n1 ZINC000177756305 1119854964 /nfs/dbraw/zinc/85/49/64/1119854964.db2.gz QCMFCLHLXGTMMY-NSHDSACASA-N 0 2 262.378 3.633 20 30 CHEDLN N#CC(C(=O)c1ccc(F)s1)c1nc(C2CC2)cs1 ZINC000659116416 1120016507 /nfs/dbraw/zinc/01/65/07/1120016507.db2.gz VCMRNIAYDOGQQM-MRVPVSSYSA-N 0 2 292.360 3.711 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@H]2CCC[C@H](C)C2)n1 ZINC000122406381 1120168322 /nfs/dbraw/zinc/16/83/22/1120168322.db2.gz VIBFNCBWRGUGEO-WCFLWFBJSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1ccc(NC2=C(C#N)C(=O)CS2)c(F)c1F ZINC001176093188 1121538116 /nfs/dbraw/zinc/53/81/16/1121538116.db2.gz HNAVEANXOCQHJA-UHFFFAOYSA-N 0 2 266.272 3.656 20 30 CHEDLN N#CC(C(=O)C1CCCC1)c1nc2cc(F)ccc2s1 ZINC000730421776 1121807462 /nfs/dbraw/zinc/80/74/62/1121807462.db2.gz PJRNGIRLNQYBMC-NSHDSACASA-N 0 2 288.347 3.802 20 30 CHEDLN N#C[C@@H](C(=O)C1CCCC1)c1nc2cc(F)ccc2s1 ZINC000730421776 1121807469 /nfs/dbraw/zinc/80/74/69/1121807469.db2.gz PJRNGIRLNQYBMC-NSHDSACASA-N 0 2 288.347 3.802 20 30 CHEDLN CCCC[C@](C)(F)C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000850737370 1123297579 /nfs/dbraw/zinc/29/75/79/1123297579.db2.gz UJIOLWRBGKEZGO-MFKMUULPSA-N 0 2 268.357 3.546 20 30 CHEDLN N#CC(C(=O)C1(C(F)(F)F)CCCCC1)c1ccccn1 ZINC000850757176 1123300667 /nfs/dbraw/zinc/30/06/67/1123300667.db2.gz XGRUXOMIKIFWPZ-NSHDSACASA-N 0 2 296.292 3.771 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1nc(C2CC2)cs1 ZINC000851100976 1123324161 /nfs/dbraw/zinc/32/41/61/1123324161.db2.gz QMVLPVWDTGHFBL-UMSGYPCISA-N 0 2 286.400 3.633 20 30 CHEDLN CC(=NNc1ccccn1)c1ccc(Cl)c(Cl)c1O ZINC000727648517 1123509778 /nfs/dbraw/zinc/50/97/78/1123509778.db2.gz INENTERRMCYZIM-UHFFFAOYSA-N 0 2 296.157 3.930 20 30 CHEDLN Cc1ccc(C)c(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041545787 1123592493 /nfs/dbraw/zinc/59/24/93/1123592493.db2.gz QXPXPBPOZBWNFP-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN CCC(CC1CCCCC1)N=Nc1cn[nH]c(=O)c1Cl ZINC000872339430 1124705009 /nfs/dbraw/zinc/70/50/09/1124705009.db2.gz KPIBMNOGHUHOSK-UHFFFAOYSA-N 0 2 296.802 3.984 20 30 CHEDLN CCC(CC1CCCCC1)=NNc1cnnc(O)c1Cl ZINC000872339430 1124705015 /nfs/dbraw/zinc/70/50/15/1124705015.db2.gz KPIBMNOGHUHOSK-UHFFFAOYSA-N 0 2 296.802 3.984 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2coc3ccccc23)c1 ZINC000733902862 1129283094 /nfs/dbraw/zinc/28/30/94/1129283094.db2.gz BVRSJMANPZFWRO-CAOOACKPSA-N 0 2 296.282 3.666 20 30 CHEDLN C[C@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)C1 ZINC000739426359 1129404060 /nfs/dbraw/zinc/40/40/60/1129404060.db2.gz KMNIKXLAHOSRIV-MXNOBRNFSA-N 0 2 276.336 3.544 20 30 CHEDLN CC[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000740763281 1129418730 /nfs/dbraw/zinc/41/87/30/1129418730.db2.gz FGKDOUKMUXFLBT-HJCXSIFHSA-N 0 2 276.336 3.688 20 30 CHEDLN Cc1ccc([C@@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000737440102 1129448161 /nfs/dbraw/zinc/44/81/61/1129448161.db2.gz CBYDJXPIULAXJS-FHXOWUIVSA-N 0 2 298.342 3.831 20 30 CHEDLN CC(=NNc1ccc(Cl)cc1)c1sccc1O ZINC000769766970 1129922615 /nfs/dbraw/zinc/92/26/15/1129922615.db2.gz WNWINDREJNZQSR-UHFFFAOYSA-N 0 2 266.753 3.943 20 30 CHEDLN N#C[C@@H](C(=O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035852 1129968551 /nfs/dbraw/zinc/96/85/51/1129968551.db2.gz MGWMDZNHOXJCTK-GUOLPTJISA-N 0 2 293.351 3.514 20 30 CHEDLN N#CC(=C(O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035852 1129968555 /nfs/dbraw/zinc/96/85/55/1129968555.db2.gz MGWMDZNHOXJCTK-GUOLPTJISA-N 0 2 293.351 3.514 20 30 CHEDLN N#C[C@H](C(=O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035854 1129968730 /nfs/dbraw/zinc/96/87/30/1129968730.db2.gz MGWMDZNHOXJCTK-QDZRJHCZSA-N 0 2 293.351 3.514 20 30 CHEDLN N#CC(=C(O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035854 1129968731 /nfs/dbraw/zinc/96/87/31/1129968731.db2.gz MGWMDZNHOXJCTK-QDZRJHCZSA-N 0 2 293.351 3.514 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C=Cc2ccc[nH]2)s1 ZINC000802249614 1129985968 /nfs/dbraw/zinc/98/59/68/1129985968.db2.gz CJLIFQWHBFIBQR-NNNHXZLVSA-N 0 2 299.399 3.658 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C(C2CCC2)C2CCC2)n1 ZINC000796739302 1130927112 /nfs/dbraw/zinc/92/71/12/1130927112.db2.gz QNNZSOKAGDWAPV-ZDUSSCGKSA-N 0 2 288.416 3.844 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC2(C)C)s1 ZINC000797568409 1130993990 /nfs/dbraw/zinc/99/39/90/1130993990.db2.gz RIQJQFXEXUULAL-NXEZZACHSA-N 0 2 276.405 3.663 20 30 CHEDLN N#CC(C(=O)[C@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712149 1131180253 /nfs/dbraw/zinc/18/02/53/1131180253.db2.gz JIPIWJFSWBKNMX-CHWSQXEVSA-N 0 2 294.379 3.786 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712149 1131180257 /nfs/dbraw/zinc/18/02/57/1131180257.db2.gz JIPIWJFSWBKNMX-CHWSQXEVSA-N 0 2 294.379 3.786 20 30 CHEDLN CC(C)n1nccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 ZINC000794943904 1131775926 /nfs/dbraw/zinc/77/59/26/1131775926.db2.gz AHRKELQZQXWCJQ-GQCTYLIASA-N 0 2 290.750 3.719 20 30 CHEDLN N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140832097 1131941225 /nfs/dbraw/zinc/94/12/25/1131941225.db2.gz AJJACXGQCDPFLM-JTQLQIEISA-N 0 2 299.201 3.825 20 30 CHEDLN N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140832097 1131941230 /nfs/dbraw/zinc/94/12/30/1131941230.db2.gz AJJACXGQCDPFLM-JTQLQIEISA-N 0 2 299.201 3.825 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000842281418 1132415662 /nfs/dbraw/zinc/41/56/62/1132415662.db2.gz LLFGQNGSIXBCMB-VBQJREDUSA-N 0 2 296.395 3.822 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000842281418 1132415667 /nfs/dbraw/zinc/41/56/67/1132415667.db2.gz LLFGQNGSIXBCMB-VBQJREDUSA-N 0 2 296.395 3.822 20 30 CHEDLN N#C[C@H](C(=O)C=Cc1ccco1)c1nc(C2CC2)cs1 ZINC000842939806 1132479503 /nfs/dbraw/zinc/47/95/03/1132479503.db2.gz XXHVIYZQEPQKQV-BTDICHCPSA-N 0 2 284.340 3.503 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1CC=CCC1)c1nc(C2CC2)cs1 ZINC000842939510 1132480403 /nfs/dbraw/zinc/48/04/03/1132480403.db2.gz VMPMTZRKPNASCR-NWDGAFQWSA-N 0 2 272.373 3.553 20 30 CHEDLN N#C[C@H](C(=O)C1CCCCC1)c1nc(C2CC2)cs1 ZINC000842939004 1132480848 /nfs/dbraw/zinc/48/08/48/1132480848.db2.gz PQKXSYBETXYQBG-GFCCVEGCSA-N 0 2 274.389 3.777 20 30 CHEDLN C=C(C)C[C@H](Oc1cc(O)cc2occc(=O)c12)C(=C)C ZINC001233835165 1132688107 /nfs/dbraw/zinc/68/81/07/1132688107.db2.gz VNGDGAXISQODPY-AWEZNQCLSA-N 0 2 286.327 3.788 20 30 CHEDLN CCC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@H](C)CC ZINC001233915352 1132696886 /nfs/dbraw/zinc/69/68/86/1132696886.db2.gz JHJJVBJECMVXHK-ZWNOBZJWSA-N 0 2 262.353 3.561 20 30 CHEDLN CCC[C@@H](C)[C@@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919309 1132698037 /nfs/dbraw/zinc/69/80/37/1132698037.db2.gz GIHYBUZLHYRRDR-ZWNOBZJWSA-N 0 2 262.353 3.561 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H]2CC[C@H](C(C)(C)C)CC2)c1C#N ZINC001233919448 1132698587 /nfs/dbraw/zinc/69/85/87/1132698587.db2.gz RBYUPUXRORGERE-JOCQHMNTSA-N 0 2 288.391 3.951 20 30 CHEDLN CCCCN(CC#N)Cc1cc(Cl)cc(Cl)c1O ZINC001203581959 1133343093 /nfs/dbraw/zinc/34/30/93/1133343093.db2.gz IOHVHYDYIZMJHU-UHFFFAOYSA-N 0 2 287.190 3.825 20 30 CHEDLN N#Cc1cnc(-c2cc(F)c(O)cc2F)c2sccc21 ZINC001206775882 1133747144 /nfs/dbraw/zinc/74/71/44/1133747144.db2.gz PMAIBDAHANHGDD-UHFFFAOYSA-N 0 2 288.278 3.819 20 30 CHEDLN N#Cc1ccc(Nc2cc(F)c(O)c(Cl)c2)cc1C#N ZINC001214490197 1134545269 /nfs/dbraw/zinc/54/52/69/1134545269.db2.gz QLGCUMQUNFUBDA-UHFFFAOYSA-N 0 2 287.681 3.672 20 30 CHEDLN N#Cc1cccc(F)c1Nc1ccc(Cl)c(O)c1F ZINC001214799338 1134574669 /nfs/dbraw/zinc/57/46/69/1134574669.db2.gz SBUOWFLTMPFXQW-UHFFFAOYSA-N 0 2 280.661 3.939 20 30 CHEDLN CC(=O)c1ccc(NC2=C(C#N)C(=O)CS2)c(F)c1F ZINC001214980056 1134590180 /nfs/dbraw/zinc/59/01/80/1134590180.db2.gz BEOLJLWBVSZNTJ-UHFFFAOYSA-N 0 2 294.282 3.550 20 30 CHEDLN CSc1cc(F)cc(NC2=C(C#N)C(=O)CS2)c1 ZINC001215901785 1134712881 /nfs/dbraw/zinc/71/28/81/1134712881.db2.gz AJGLPQJEPSOSSH-UHFFFAOYSA-N 0 2 280.349 3.930 20 30 CHEDLN N#CC1=C(Nc2c(Cl)ccnc2Cl)SCC1=O ZINC001216301243 1134842614 /nfs/dbraw/zinc/84/26/14/1134842614.db2.gz JRRSWBCBSFEWCW-UHFFFAOYSA-N 0 2 286.143 3.771 20 30 CHEDLN Cc1cc(C)cc(-c2noc(-c3ccc(C#N)cc3O)n2)c1 ZINC001217038516 1134959305 /nfs/dbraw/zinc/95/93/05/1134959305.db2.gz BEJJHWQBEXWDSA-UHFFFAOYSA-N 0 2 291.310 3.598 20 30 CHEDLN C=C[C@@H](CCC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225886118 1135634125 /nfs/dbraw/zinc/63/41/25/1135634125.db2.gz SGZVXIUPVPRWPT-LURJTMIESA-N 0 2 264.218 3.682 20 30 CHEDLN C=CC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)c1ccccc1 ZINC001226220981 1135673611 /nfs/dbraw/zinc/67/36/11/1135673611.db2.gz DSHVWTGLVLMCEN-HNNXBMFYSA-N 0 2 280.327 3.664 20 30 CHEDLN N#Cc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)[nH]1 ZINC000347123267 226033544 /nfs/dbraw/zinc/03/35/44/226033544.db2.gz HEZITVKWAKYLJP-UHFFFAOYSA-N 0 2 285.391 3.509 20 30 CHEDLN C=CCCCCCNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000568223452 334806062 /nfs/dbraw/zinc/80/60/62/334806062.db2.gz OPIJSPOHHZPCIH-UHFFFAOYSA-N 0 2 285.746 3.661 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2CCC(C)(C)CC2)n1 ZINC000131921545 1125412795 /nfs/dbraw/zinc/41/27/95/1125412795.db2.gz AUACPZXHFDLMPC-LBPRGKRZSA-N 0 2 276.405 3.844 20 30 CHEDLN N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140832100 1131941619 /nfs/dbraw/zinc/94/16/19/1131941619.db2.gz AJJACXGQCDPFLM-SNVBAGLBSA-N 0 2 299.201 3.825 20 30 CHEDLN N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140832100 1131941624 /nfs/dbraw/zinc/94/16/24/1131941624.db2.gz AJJACXGQCDPFLM-SNVBAGLBSA-N 0 2 299.201 3.825 20 30 CHEDLN C=CCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000185473133 1126900700 /nfs/dbraw/zinc/90/07/00/1126900700.db2.gz RBXBBBOSVWREEK-UHFFFAOYSA-N 0 2 274.147 3.994 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C=C2CCC2)s1 ZINC000797572620 1130994303 /nfs/dbraw/zinc/99/43/03/1130994303.db2.gz DQGQHGUNDDVXAR-LLVKDONJSA-N 0 2 274.389 3.727 20 30 CHEDLN N#C[C@H](C(=O)CC1CCC1)c1nc(-c2ccncc2)cs1 ZINC000174104349 1127875174 /nfs/dbraw/zinc/87/51/74/1127875174.db2.gz AELAYNKLSZQQGT-CYBMUJFWSA-N 0 2 297.383 3.572 20 30 CHEDLN CC[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000048456625 1128711202 /nfs/dbraw/zinc/71/12/02/1128711202.db2.gz MACFBDYGLCYGAX-MDHSVXEESA-N 0 2 276.336 3.688 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(c3ccccc3)CCC2)n1 ZINC000048787544 1128730069 /nfs/dbraw/zinc/73/00/69/1128730069.db2.gz QYFPGVOTRHGTDR-AWEZNQCLSA-N 0 2 296.395 3.750 20 30 CHEDLN CC(C)Oc1ccc(F)c(NC2=C(C#N)C(=O)CS2)c1 ZINC001212310684 1128839128 /nfs/dbraw/zinc/83/91/28/1128839128.db2.gz RRFBANYRKRWQBI-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2sc(C)cc2C)n1 ZINC000892417305 1119657589 /nfs/dbraw/zinc/65/75/89/1119657589.db2.gz HWTSYNRZFPGPNR-LLVKDONJSA-N 0 2 290.413 3.549 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)Cc2sc(C)cc2C)n1 ZINC000892417305 1119657592 /nfs/dbraw/zinc/65/75/92/1119657592.db2.gz HWTSYNRZFPGPNR-LLVKDONJSA-N 0 2 290.413 3.549 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)n1 ZINC000892418012 1119659061 /nfs/dbraw/zinc/65/90/61/1119659061.db2.gz OKLZCCPLAJYXCE-JKIFEVAISA-N 0 2 296.395 3.606 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)n1 ZINC000892418012 1119659063 /nfs/dbraw/zinc/65/90/63/1119659063.db2.gz OKLZCCPLAJYXCE-JKIFEVAISA-N 0 2 296.395 3.606 20 30 CHEDLN N#CC(C(=O)c1cccs1)c1nc(C2CC2)cs1 ZINC000647371726 1119699591 /nfs/dbraw/zinc/69/95/91/1119699591.db2.gz XJTRGPBTLLHKFM-VIFPVBQESA-N 0 2 274.370 3.572 20 30 CHEDLN N#C[C@@H](C(=O)c1cccs1)c1nc(C2CC2)cs1 ZINC000647371726 1119699596 /nfs/dbraw/zinc/69/95/96/1119699596.db2.gz XJTRGPBTLLHKFM-VIFPVBQESA-N 0 2 274.370 3.572 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)cs1 ZINC000647379911 1119712605 /nfs/dbraw/zinc/71/26/05/1119712605.db2.gz XTLHVTHWNHBAPN-NSHDSACASA-N 0 2 288.397 3.881 20 30 CHEDLN N#CC(C(=O)C1CC=CC1)c1nc(-c2ccccc2)cs1 ZINC000077941220 1128886375 /nfs/dbraw/zinc/88/63/75/1128886375.db2.gz ANFWZRODRARYOE-CQSZACIVSA-N 0 2 294.379 3.953 20 30 CHEDLN N#C[C@H](C(=O)C1CC=CC1)c1nc(-c2ccccc2)cs1 ZINC000077941220 1128886379 /nfs/dbraw/zinc/88/63/79/1128886379.db2.gz ANFWZRODRARYOE-CQSZACIVSA-N 0 2 294.379 3.953 20 30 CHEDLN C=CC[C@H](Oc1nc(Cl)cc(=O)[nH]1)c1ccccc1 ZINC001225563160 1121847608 /nfs/dbraw/zinc/84/76/08/1121847608.db2.gz RNIXQMFXICTNNN-NSHDSACASA-N 0 2 276.723 3.532 20 30 CHEDLN C=CCN(C(=O)c1cccc(S)c1)C1CCCCC1 ZINC001186148267 1122376924 /nfs/dbraw/zinc/37/69/24/1122376924.db2.gz BUOKXZFJRHQTRH-UHFFFAOYSA-N 0 2 275.417 3.936 20 30 CHEDLN N#CC(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1nc2ccccc2s1 ZINC000850740525 1123297817 /nfs/dbraw/zinc/29/78/17/1123297817.db2.gz XLIDKVUPDDPUJO-UMSGYPCISA-N 0 2 296.395 3.909 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1nc2ccccc2s1 ZINC000850740525 1123297821 /nfs/dbraw/zinc/29/78/21/1123297821.db2.gz XLIDKVUPDDPUJO-UMSGYPCISA-N 0 2 296.395 3.909 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C2CC3(CC3)C2)n1 ZINC000850874353 1123307283 /nfs/dbraw/zinc/30/72/83/1123307283.db2.gz ZEOVTEQZWUIXAS-LLVKDONJSA-N 0 2 274.389 3.633 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC[C@@H](C)C2)n1 ZINC000776528226 1123358268 /nfs/dbraw/zinc/35/82/68/1123358268.db2.gz NEXCNPMAKYUWEM-GRYCIOLGSA-N 0 2 276.405 3.879 20 30 CHEDLN Cc1ccsc1C(=O)/C=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000113771983 1123541412 /nfs/dbraw/zinc/54/14/12/1123541412.db2.gz OLIZQPYINMSPGI-HWKANZROSA-N 0 2 289.312 3.566 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H](C)CC2CCCC2)n1 ZINC000114617308 1123569871 /nfs/dbraw/zinc/56/98/71/1123569871.db2.gz FUNHPMGFPPEQRJ-ZWNOBZJWSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC2(C)CCCCC2)n1 ZINC000125899053 1124942772 /nfs/dbraw/zinc/94/27/72/1124942772.db2.gz AWATZEFUUVTYAI-GFCCVEGCSA-N 0 2 276.405 3.988 20 30 CHEDLN CCCCCC[C@H](C)NN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000743449079 1129524281 /nfs/dbraw/zinc/52/42/81/1129524281.db2.gz MNIFFNWRNODVED-LBPRGKRZSA-N 0 2 293.367 3.583 20 30 CHEDLN CC(=NNc1cccc2cnccc21)c1sccc1O ZINC000769781443 1129925227 /nfs/dbraw/zinc/92/52/27/1129925227.db2.gz HFNROKMKBWTQFU-UHFFFAOYSA-N 0 2 283.356 3.838 20 30 CHEDLN N#CC(C(=O)CCCC(F)(F)F)c1nc2ccccc2o1 ZINC000771262344 1129975390 /nfs/dbraw/zinc/97/53/90/1129975390.db2.gz WJCCFKLNJQIWFQ-SECBINFHSA-N 0 2 296.248 3.737 20 30 CHEDLN Cc1ccc(F)c(-c2nccc3ccc(C#N)cc32)c1O ZINC001236389997 1130925753 /nfs/dbraw/zinc/92/57/53/1130925753.db2.gz CCWFKUFUPRBFON-UHFFFAOYSA-N 0 2 278.286 3.927 20 30 CHEDLN N#C[C@@H](C(=O)C(F)=CC1CCCCC1)c1ccccn1 ZINC000815907196 1131030154 /nfs/dbraw/zinc/03/01/54/1131030154.db2.gz VIPPLRRJEAWKOS-JFBXQDQPSA-N 0 2 272.323 3.692 20 30 CHEDLN N#CC[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080345 1131046614 /nfs/dbraw/zinc/04/66/14/1131046614.db2.gz APBUVNFKFVCKBO-JTQLQIEISA-N 0 2 299.201 3.825 20 30 CHEDLN N#CC(C(=O)[C@@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712156 1131180700 /nfs/dbraw/zinc/18/07/00/1131180700.db2.gz JIPIWJFSWBKNMX-STQMWFEESA-N 0 2 294.379 3.786 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712156 1131180704 /nfs/dbraw/zinc/18/07/04/1131180704.db2.gz JIPIWJFSWBKNMX-STQMWFEESA-N 0 2 294.379 3.786 20 30 CHEDLN CC(C)CC[C@@H]1CCC(N=Nc2cn[nH]c(=O)c2Cl)C1 ZINC000834937015 1131736815 /nfs/dbraw/zinc/73/68/15/1131736815.db2.gz GVTWODFGQRULGR-SNVBAGLBSA-N 0 2 296.802 3.840 20 30 CHEDLN CC(C)CC[C@@H]1CCC(=NNc2cnnc(O)c2Cl)C1 ZINC000834937015 1131736822 /nfs/dbraw/zinc/73/68/22/1131736822.db2.gz GVTWODFGQRULGR-SNVBAGLBSA-N 0 2 296.802 3.840 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CCc2ccccc2C)n1 ZINC000103635645 1131854625 /nfs/dbraw/zinc/85/46/25/1131854625.db2.gz HGNUYFFHKVNYGF-AWEZNQCLSA-N 0 2 284.384 3.569 20 30 CHEDLN N#CC(=C(O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694233 1132451912 /nfs/dbraw/zinc/45/19/12/1132451912.db2.gz TUVIDOLAXZENII-WTNCMQEWSA-N 0 2 280.327 3.750 20 30 CHEDLN N#CC(C(=O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694233 1132451916 /nfs/dbraw/zinc/45/19/16/1132451916.db2.gz TUVIDOLAXZENII-WTNCMQEWSA-N 0 2 280.327 3.750 20 30 CHEDLN N#C[C@@H](C(=O)CC1CCCC1)c1nc(C2CC2)cs1 ZINC000842937594 1132479383 /nfs/dbraw/zinc/47/93/83/1132479383.db2.gz FXHOSTAYJVOZHS-LBPRGKRZSA-N 0 2 274.389 3.777 20 30 CHEDLN CCCCN(CC#N)Cc1ccc(Cl)c(O)c1Cl ZINC001232627585 1132498912 /nfs/dbraw/zinc/49/89/12/1132498912.db2.gz KKQOOTPTJLPXAY-UHFFFAOYSA-N 0 2 287.190 3.825 20 30 CHEDLN CCCN(CCC#N)Cc1ccc(Cl)c(O)c1Cl ZINC001232632123 1132499311 /nfs/dbraw/zinc/49/93/11/1132499311.db2.gz VLOONFMGRJHRIQ-UHFFFAOYSA-N 0 2 287.190 3.825 20 30 CHEDLN Cc1cc(C)c(NC2=C(C#N)C(=O)CS2)c(C)c1 ZINC001173842955 1132545569 /nfs/dbraw/zinc/54/55/69/1132545569.db2.gz IHTAJRAGVDTMPN-UHFFFAOYSA-N 0 2 258.346 3.994 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1C#N ZINC001233915252 1132697046 /nfs/dbraw/zinc/69/70/46/1132697046.db2.gz CQIROLNSYWUTCT-XTQGRXLLSA-N 0 2 286.375 3.561 20 30 CHEDLN CO[C@@H](C)c1cccc(NC2=C(C#N)C(=O)CS2)c1 ZINC001209946594 1134106833 /nfs/dbraw/zinc/10/68/33/1134106833.db2.gz DSZYBDIWOAOMOW-VIFPVBQESA-N 0 2 274.345 3.776 20 30 CHEDLN N#Cc1ccc(OC(F)F)cc1-c1cc(F)c(O)cc1F ZINC001211359428 1134412211 /nfs/dbraw/zinc/41/22/11/1134412211.db2.gz HBNHKNMMYGVILU-UHFFFAOYSA-N 0 2 297.207 3.810 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)co1 ZINC000430604457 330569625 /nfs/dbraw/zinc/56/96/25/330569625.db2.gz NGLNQPTWHFPFQH-NSHDSACASA-N 0 2 288.372 3.832 20 30 CHEDLN C=CCC1(NC(=O)c2cc(F)c(O)c(F)c2)CCCCC1 ZINC000456367408 331191340 /nfs/dbraw/zinc/19/13/40/331191340.db2.gz NXQCCYNALWWOQU-UHFFFAOYSA-N 0 2 295.329 3.679 20 30 CHEDLN CCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000043692988 1127011238 /nfs/dbraw/zinc/01/12/38/1127011238.db2.gz RTFRRVJKCTXJOR-UHFFFAOYSA-N 0 2 280.324 3.599 20 30 CHEDLN O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccccc1O ZINC000156599676 1127160017 /nfs/dbraw/zinc/16/00/17/1127160017.db2.gz JZROLQJDPNXUGU-FNORWQNLSA-N 0 2 274.703 3.647 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCCC(F)(F)C2)c1 ZINC000800721397 1128032740 /nfs/dbraw/zinc/03/27/40/1128032740.db2.gz MKQMKQYKZOIJBD-IYPWXLATSA-N 0 2 298.289 3.545 20 30 CHEDLN CCCCCCCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000762625708 1128311811 /nfs/dbraw/zinc/31/18/11/1128311811.db2.gz MRUCFOMOISCMQQ-UHFFFAOYSA-N 0 2 285.334 3.761 20 30 CHEDLN CCCNN=C(CC)c1cc(Cl)cc(Cl)c1O ZINC000915965908 1128401341 /nfs/dbraw/zinc/40/13/41/1128401341.db2.gz RONGRAOXNFZIEG-UHFFFAOYSA-N 0 2 275.179 3.813 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/CCCC2CCCC2)c1 ZINC000918154060 1128538149 /nfs/dbraw/zinc/53/81/49/1128538149.db2.gz BFBHBNLRSWYXHE-LFIBNONCSA-N 0 2 276.336 3.690 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC2CCCCC2)n1 ZINC000041521497 1128546208 /nfs/dbraw/zinc/54/62/08/1128546208.db2.gz BSPNYNXMJYMGMG-GFCCVEGCSA-N 0 2 262.378 3.598 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000920788486 1128691243 /nfs/dbraw/zinc/69/12/43/1128691243.db2.gz CZQZJLYWIKRVTP-WCFLWFBJSA-N 0 2 276.405 3.844 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1CCC(F)(F)C1)c1nc(C2CC2)cs1 ZINC000842945387 1118177240 /nfs/dbraw/zinc/17/72/40/1118177240.db2.gz QGQURUKXUDLWHN-VHSXEESVSA-N 0 2 296.342 3.632 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000748149480 1118383747 /nfs/dbraw/zinc/38/37/47/1118383747.db2.gz ZKUNGOGYTLVRIN-YVMONPNESA-N 0 2 297.310 3.813 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)Cc2ccsc2)n1 ZINC000177757440 1118445477 /nfs/dbraw/zinc/44/54/77/1118445477.db2.gz URJJFQDPKGRCIU-NSHDSACASA-N 0 2 290.413 3.747 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)Cc2ccsc2)n1 ZINC000177757440 1118445481 /nfs/dbraw/zinc/44/54/81/1118445481.db2.gz URJJFQDPKGRCIU-NSHDSACASA-N 0 2 290.413 3.747 20 30 CHEDLN Cc1cc[nH+]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430609722 1118615682 /nfs/dbraw/zinc/61/56/82/1118615682.db2.gz INRDLBVJBGNERN-NSHDSACASA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1ccncc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430609722 1118615685 /nfs/dbraw/zinc/61/56/85/1118615685.db2.gz INRDLBVJBGNERN-NSHDSACASA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1ncsc1/C=C\C(=O)c1cc(Cl)ccc1O ZINC000255419942 1118904087 /nfs/dbraw/zinc/90/40/87/1118904087.db2.gz DCZFTSWVSWNIGW-PLNGDYQASA-N 0 2 279.748 3.707 20 30 CHEDLN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000617041805 1128812757 /nfs/dbraw/zinc/81/27/57/1128812757.db2.gz JCNHDAQQHPFPRE-QMTHXVAHSA-N 0 2 295.329 3.535 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C=Cc2ccco2)n1 ZINC000255480372 1119013486 /nfs/dbraw/zinc/01/34/86/1119013486.db2.gz HOIZJSZGSYHWQA-FJOGCWAESA-N 0 2 286.356 3.749 20 30 CHEDLN N#CC(C(=O)c1ccoc1C1CC1)c1nc2ccccc2o1 ZINC000342649002 1119112086 /nfs/dbraw/zinc/11/20/86/1119112086.db2.gz FSJATEBXMVUEIP-GFCCVEGCSA-N 0 2 292.294 3.788 20 30 CHEDLN CC(C)n1cc(/C=C/C(=O)c2cc(Cl)ccc2O)cn1 ZINC000176955714 1119671705 /nfs/dbraw/zinc/67/17/05/1119671705.db2.gz OZGLHNMKFOFPKQ-HWKANZROSA-N 0 2 290.750 3.719 20 30 CHEDLN N#C[C@H](C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc2ccccc2s1 ZINC000892424777 1119698777 /nfs/dbraw/zinc/69/87/77/1119698777.db2.gz RPLUVIYAJWGKOX-RWMBFGLXSA-N 0 2 296.395 3.909 20 30 CHEDLN N#CC1=C(Nc2ccc3cc(O)ccc3c2)SCC1=O ZINC001176388473 1121609632 /nfs/dbraw/zinc/60/96/32/1121609632.db2.gz XJHMUHQZKOTVME-UHFFFAOYSA-N 0 2 282.324 3.928 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3ncccc23)c1 ZINC000254602136 1121683961 /nfs/dbraw/zinc/68/39/61/1121683961.db2.gz ZTJJRSBYMLJRGS-UHFFFAOYSA-N 0 2 293.282 3.599 20 30 CHEDLN CC#CCCCCCCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC001182769756 1122189306 /nfs/dbraw/zinc/18/93/06/1122189306.db2.gz SNPIYDUZIBJLAS-UHFFFAOYSA-N 0 2 298.390 3.650 20 30 CHEDLN C=CCN(C(=O)Cc1ccc(S)cc1)C1CCCCC1 ZINC001183190079 1122210234 /nfs/dbraw/zinc/21/02/34/1122210234.db2.gz AZMOZFJJMQUBBW-UHFFFAOYSA-N 0 2 289.444 3.865 20 30 CHEDLN CCOc1ncc(Cl)cc1NC1=C(C#N)C(=O)CS1 ZINC001201507230 1123113354 /nfs/dbraw/zinc/11/33/54/1123113354.db2.gz FCTCEJZBHBZSBZ-UHFFFAOYSA-N 0 2 295.751 3.516 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CCc2ccco2)n1 ZINC000080452673 1129100242 /nfs/dbraw/zinc/10/02/42/1129100242.db2.gz LCUQIGMXTWUIDA-LBPRGKRZSA-N 0 2 288.372 3.669 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)CC(F)(F)F)n1 ZINC000850736957 1123296906 /nfs/dbraw/zinc/29/69/06/1123296906.db2.gz OZRJCWLQGLHQKU-MRVPVSSYSA-N 0 2 290.310 3.606 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C(C)(C)CC(F)(F)F)n1 ZINC000850736957 1123296911 /nfs/dbraw/zinc/29/69/11/1123296911.db2.gz OZRJCWLQGLHQKU-MRVPVSSYSA-N 0 2 290.310 3.606 20 30 CHEDLN CCCC[C@@](C)(F)C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000850737371 1123297215 /nfs/dbraw/zinc/29/72/15/1123297215.db2.gz UJIOLWRBGKEZGO-ZWNOBZJWSA-N 0 2 268.357 3.546 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H](C)Cc2ccccc2)n1 ZINC000112148629 1123482217 /nfs/dbraw/zinc/48/22/17/1123482217.db2.gz NIIYJQMWFUKIRH-BXUZGUMPSA-N 0 2 284.384 3.507 20 30 CHEDLN Cc1coc(C(=O)[C@H](C#N)c2nc3c(cccc3C)[nH]2)c1C ZINC001122505663 1131300451 /nfs/dbraw/zinc/30/04/51/1131300451.db2.gz FDNOKAVXUQFTJC-LBPRGKRZSA-N 0 2 293.326 3.571 20 30 CHEDLN Cc1coc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1C ZINC001122505663 1131300456 /nfs/dbraw/zinc/30/04/56/1131300456.db2.gz FDNOKAVXUQFTJC-LBPRGKRZSA-N 0 2 293.326 3.571 20 30 CHEDLN Cc1c[nH+]c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)c1 ZINC001122720776 1131302784 /nfs/dbraw/zinc/30/27/84/1131302784.db2.gz FRWZZKLAXJOBBK-LBPRGKRZSA-N 0 2 299.399 3.768 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2coc3ccccc23)c1 ZINC000733902863 1129283530 /nfs/dbraw/zinc/28/35/30/1129283530.db2.gz BVRSJMANPZFWRO-IUXPMGMMSA-N 0 2 296.282 3.666 20 30 CHEDLN C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000741466474 1129436780 /nfs/dbraw/zinc/43/67/80/1129436780.db2.gz SRXSBSNFVLSHLD-FFCYNSPCSA-N 0 2 276.336 3.688 20 30 CHEDLN CC(=NNc1ccc(OC(F)F)cc1)c1sccc1O ZINC000769781050 1129924954 /nfs/dbraw/zinc/92/49/54/1129924954.db2.gz CLMLQBGLBCWKBJ-UHFFFAOYSA-N 0 2 298.314 3.891 20 30 CHEDLN CC(=NNc1cc(C)cc(C)c1)c1sccc1O ZINC000769780536 1129925082 /nfs/dbraw/zinc/92/50/82/1129925082.db2.gz ASYJLLIHNQCBGM-UHFFFAOYSA-N 0 2 260.362 3.907 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C=Cc2ccc[nH]2)s1 ZINC000802249616 1129986088 /nfs/dbraw/zinc/98/60/88/1129986088.db2.gz CJLIFQWHBFIBQR-ZHRWSRJISA-N 0 2 299.399 3.658 20 30 CHEDLN COc1cc(NN=C(C)c2sccc2O)ccc1Cl ZINC000788471783 1130188813 /nfs/dbraw/zinc/18/88/13/1130188813.db2.gz HOXYXVWRPFAIDC-UHFFFAOYSA-N 0 2 296.779 3.952 20 30 CHEDLN N#Cc1cc2ccccc2nc1-c1cc(F)ccc1O ZINC001240693830 1130421464 /nfs/dbraw/zinc/42/14/64/1130421464.db2.gz ZWCPRQAOWICIMM-UHFFFAOYSA-N 0 2 264.259 3.618 20 30 CHEDLN C/C(=N\O)c1ccc(-c2c(F)cc(F)c(O)c2F)cc1 ZINC001236000708 1130829499 /nfs/dbraw/zinc/82/94/99/1130829499.db2.gz LISAWQPTUZJTIJ-CNHKJKLMSA-N 0 2 281.233 3.675 20 30 CHEDLN N#C[C@@H](C(=O)CCC(F)F)c1nc2cc(F)ccc2s1 ZINC000796694751 1130924017 /nfs/dbraw/zinc/92/40/17/1130924017.db2.gz XXJZGTSGLJYOOS-QMMMGPOBSA-N 0 2 298.289 3.657 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC000815971032 1131038032 /nfs/dbraw/zinc/03/80/32/1131038032.db2.gz QWCYJCHVSGVKPG-AZKPJATDSA-N 0 2 288.416 3.879 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC000815971032 1131038036 /nfs/dbraw/zinc/03/80/36/1131038036.db2.gz QWCYJCHVSGVKPG-AZKPJATDSA-N 0 2 288.416 3.879 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)C(=O)CSC2CC2)s1 ZINC000835387857 1131829803 /nfs/dbraw/zinc/82/98/03/1131829803.db2.gz MCZCKMMCIBVLTK-JTQLQIEISA-N 0 2 294.445 3.512 20 30 CHEDLN N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001140834463 1131942061 /nfs/dbraw/zinc/94/20/61/1131942061.db2.gz MGJQTVUMFCXGLS-SNVBAGLBSA-N 0 2 299.201 3.825 20 30 CHEDLN N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001140834463 1131942067 /nfs/dbraw/zinc/94/20/67/1131942067.db2.gz MGJQTVUMFCXGLS-SNVBAGLBSA-N 0 2 299.201 3.825 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cccc(C3CC3)c2)n1 ZINC000842280268 1132415186 /nfs/dbraw/zinc/41/51/86/1132415186.db2.gz AIGHGRGHIKDYIZ-OAHLLOKOSA-N 0 2 296.395 3.748 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)Cc2cccc(C3CC3)c2)n1 ZINC000842280268 1132415191 /nfs/dbraw/zinc/41/51/91/1132415191.db2.gz AIGHGRGHIKDYIZ-OAHLLOKOSA-N 0 2 296.395 3.748 20 30 CHEDLN N#CC(=C(O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694234 1132452382 /nfs/dbraw/zinc/45/23/82/1132452382.db2.gz TUVIDOLAXZENII-XPSMFNQNSA-N 0 2 280.327 3.750 20 30 CHEDLN N#CC(C(=O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694234 1132452388 /nfs/dbraw/zinc/45/23/88/1132452388.db2.gz TUVIDOLAXZENII-XPSMFNQNSA-N 0 2 280.327 3.750 20 30 CHEDLN N#C[C@@H](C(=O)C1CC2(CCC2)C1)c1nc(C2CC2)cs1 ZINC000842942259 1132480859 /nfs/dbraw/zinc/48/08/59/1132480859.db2.gz IBKUEBOUDPWBMP-LBPRGKRZSA-N 0 2 286.400 3.777 20 30 CHEDLN N#C[C@H](C(=O)C1=CCCCC1)c1nc(C2CC2)cs1 ZINC000842944059 1132482206 /nfs/dbraw/zinc/48/22/06/1132482206.db2.gz ICEBBBJMIHGDPZ-GFCCVEGCSA-N 0 2 272.373 3.697 20 30 CHEDLN N#CC(=C(O)C1=CCCCC1)c1nc(C2CC2)cs1 ZINC000842944059 1132482208 /nfs/dbraw/zinc/48/22/08/1132482208.db2.gz ICEBBBJMIHGDPZ-GFCCVEGCSA-N 0 2 272.373 3.697 20 30 CHEDLN CCC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@H](C)CC ZINC001233915350 1132697274 /nfs/dbraw/zinc/69/72/74/1132697274.db2.gz JHJJVBJECMVXHK-MFKMUULPSA-N 0 2 262.353 3.561 20 30 CHEDLN CCC[C@@H]1CCCC[C@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919304 1132698817 /nfs/dbraw/zinc/69/88/17/1132698817.db2.gz FWHDJZPDZYAPFK-TZMCWYRMSA-N 0 2 274.364 3.705 20 30 CHEDLN N#CC1=C(Nc2ccc3occc3c2)SCC1=O ZINC001174416074 1132855638 /nfs/dbraw/zinc/85/56/38/1132855638.db2.gz DGUYBNZAGJBGBU-UHFFFAOYSA-N 0 2 256.286 3.815 20 30 CHEDLN Cn1ccc2ccc(NC3=C(C#N)C(=O)CS3)cc21 ZINC001174515928 1132908995 /nfs/dbraw/zinc/90/89/95/1132908995.db2.gz UBJUXKWZLJBZEX-UHFFFAOYSA-N 0 2 269.329 3.561 20 30 CHEDLN N#Cc1cncc(Nc2ccc(Cl)c(Cl)c2O)c1 ZINC001210089697 1134144069 /nfs/dbraw/zinc/14/40/69/1134144069.db2.gz SFIXTXNWJVUHEM-UHFFFAOYSA-N 0 2 280.114 3.709 20 30 CHEDLN Cc1cc(NC2=C(C#N)C(=O)CS2)cnc1OC(C)C ZINC001214938404 1134583489 /nfs/dbraw/zinc/58/34/89/1134583489.db2.gz GITJJTHLSUJHHY-UHFFFAOYSA-N 0 2 289.360 3.560 20 30 CHEDLN COc1c(NC2=C(C#N)C(=O)CS2)ccc(C)c1F ZINC001215599939 1134651038 /nfs/dbraw/zinc/65/10/38/1134651038.db2.gz HERRZMPRPRLAOT-UHFFFAOYSA-N 0 2 278.308 3.525 20 30 CHEDLN CSc1ncc(Cl)cc1NC1=C(C#N)C(=O)CS1 ZINC001215915178 1134718529 /nfs/dbraw/zinc/71/85/29/1134718529.db2.gz MLYWZWVAOSBUTH-UHFFFAOYSA-N 0 2 297.792 3.839 20 30 CHEDLN N#CC1=C(Nc2ccc(Cl)c3n[nH]cc32)SCC1=O ZINC001215941729 1134726370 /nfs/dbraw/zinc/72/63/70/1134726370.db2.gz YENGIWCPZCPZFZ-UHFFFAOYSA-N 0 2 290.735 3.599 20 30 CHEDLN COc1c(C)cc(C)cc1NC1=C(C#N)C(=O)CS1 ZINC001215996283 1134746089 /nfs/dbraw/zinc/74/60/89/1134746089.db2.gz PNPWGDXEUHUNRW-UHFFFAOYSA-N 0 2 274.345 3.694 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H](C)c2cccc(Cl)c2)c1C#N ZINC001226223773 1135673691 /nfs/dbraw/zinc/67/36/91/1135673691.db2.gz UEKKZCLUYNVCMN-SNVBAGLBSA-N 0 2 288.734 3.761 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H](C)c2ccccc2Cl)c1C#N ZINC001226221030 1135673749 /nfs/dbraw/zinc/67/37/49/1135673749.db2.gz GOMTUAOCTKDYKV-SNVBAGLBSA-N 0 2 288.734 3.761 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H](c2ccccc2)C(C)C)c1C#N ZINC001226221609 1135673968 /nfs/dbraw/zinc/67/39/68/1135673968.db2.gz NWJLRDHYBBDFOF-INIZCTEOSA-N 0 2 282.343 3.743 20 30 CHEDLN C=CCCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000546859533 334052042 /nfs/dbraw/zinc/05/20/42/334052042.db2.gz KKQPTMPAPKCHMZ-UHFFFAOYSA-N 0 2 274.147 3.994 20 30 CHEDLN O=C([O-])C1(C/[NH+]=C\c2c(O)ccc3ccccc32)CCCC1 ZINC000833174512 601366248 /nfs/dbraw/zinc/36/62/48/601366248.db2.gz QYOKNCUJYRUKET-ODLFYWEKSA-N 0 2 297.354 3.609 20 30 CHEDLN N#Cc1cccc(Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC001210924836 1118423779 /nfs/dbraw/zinc/42/37/79/1118423779.db2.gz TYOOMUWZPKMRQP-UHFFFAOYSA-N 0 2 280.114 3.709 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2CCC3(CC3)CC2)n1 ZINC000850735942 1123297173 /nfs/dbraw/zinc/29/71/73/1123297173.db2.gz FPXHDCWSFYUPFQ-LBPRGKRZSA-N 0 2 274.389 3.598 20 30 CHEDLN N#CCCCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000594335531 1127414072 /nfs/dbraw/zinc/41/40/72/1127414072.db2.gz SPJFPJJUNNPMEZ-UHFFFAOYSA-N 0 2 287.146 3.721 20 30 CHEDLN N#C[C@H](C(=O)c1ccc(Cl)o1)c1nccc2ccccc21 ZINC000361530165 1127570183 /nfs/dbraw/zinc/57/01/83/1127570183.db2.gz YHQMPWZMJDKMOK-LBPRGKRZSA-N 0 2 296.713 3.971 20 30 CHEDLN CCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000920942964 1128695624 /nfs/dbraw/zinc/69/56/24/1128695624.db2.gz IRLZDQDVLVQYLC-UHFFFAOYSA-N 0 2 270.288 3.613 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3c2CCCC3)c1 ZINC000920943321 1128695636 /nfs/dbraw/zinc/69/56/36/1128695636.db2.gz VCYCMQDTSPABOS-UHFFFAOYSA-N 0 2 296.326 3.930 20 30 CHEDLN O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000588480310 1118910748 /nfs/dbraw/zinc/91/07/48/1118910748.db2.gz ZBUKDVLMTOHFMK-RJRFIUFISA-N 0 2 292.693 3.786 20 30 CHEDLN N#Cc1ccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000588480302 1118910899 /nfs/dbraw/zinc/91/08/99/1118910899.db2.gz WEGAMYQVANLWSG-ALCCZGGFSA-N 0 2 283.714 3.813 20 30 CHEDLN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000617041803 1128813092 /nfs/dbraw/zinc/81/30/92/1128813092.db2.gz JCNHDAQQHPFPRE-HZMBPMFUSA-N 0 2 295.329 3.535 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H]2CCCC(C)(C)C2)n1 ZINC000179376109 1119733056 /nfs/dbraw/zinc/73/30/56/1119733056.db2.gz GVFDUSIMMQWYFO-RYUDHWBXSA-N 0 2 276.405 3.844 20 30 CHEDLN COc1cccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)c1 ZINC000588480366 1120087963 /nfs/dbraw/zinc/08/79/63/1120087963.db2.gz YEJRGKNFCUWGDO-ALCCZGGFSA-N 0 2 288.730 3.950 20 30 CHEDLN CCCCCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000169162907 1120104209 /nfs/dbraw/zinc/10/42/09/1120104209.db2.gz GDUGPSUTCQAURL-UHFFFAOYSA-N 0 2 280.324 3.599 20 30 CHEDLN O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc(O)c(F)c1 ZINC000255564049 1120379088 /nfs/dbraw/zinc/37/90/88/1120379088.db2.gz ZXUVSJUVXWTYLY-RJRFIUFISA-N 0 2 292.693 3.786 20 30 CHEDLN N#CC(C(=O)CCc1cccs1)c1nc2ccccc2o1 ZINC000073977288 1120681924 /nfs/dbraw/zinc/68/19/24/1120681924.db2.gz BGWAUWUCMOGCDA-LBPRGKRZSA-N 0 2 296.351 3.698 20 30 CHEDLN O=C(/C=C\c1cccc(O)c1)c1cc(Cl)ccc1O ZINC000199491210 1120686998 /nfs/dbraw/zinc/68/69/98/1120686998.db2.gz BJLBUIYKSNQHQA-XQRVVYSFSA-N 0 2 274.703 3.647 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000218790363 1120988846 /nfs/dbraw/zinc/98/88/46/1120988846.db2.gz GIXFNAHZTOHXJQ-SOFGYWHQSA-N 0 2 283.283 3.505 20 30 CHEDLN N#CC1=C(Nc2ccc(Cl)c(F)c2)SCC1=O ZINC001175205947 1121209378 /nfs/dbraw/zinc/20/93/78/1121209378.db2.gz OAEOCIOFAYULNM-UHFFFAOYSA-N 0 2 268.700 3.861 20 30 CHEDLN N#Cc1cccc(Cc2cc(Cl)c(O)cc2F)c1 ZINC001250050611 1122149086 /nfs/dbraw/zinc/14/90/86/1122149086.db2.gz AHZFATLCBZJQEX-UHFFFAOYSA-N 0 2 261.683 3.647 20 30 CHEDLN N#Cc1cccc(C(=O)Nc2cc3ccccc3s2)c1O ZINC001193635366 1122703116 /nfs/dbraw/zinc/70/31/16/1122703116.db2.gz SOVBZEKOSVXDQS-UHFFFAOYSA-N 0 2 294.335 3.731 20 30 CHEDLN CCCc1ccc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)s1 ZINC000633898951 1129093678 /nfs/dbraw/zinc/09/36/78/1129093678.db2.gz CHTFYRSNFCGDPQ-ZDUSSCGKSA-N 0 2 299.399 3.598 20 30 CHEDLN COc1nc(C(C)C)ccc1NC1=C(C#N)C(=O)CS1 ZINC001201436673 1123104035 /nfs/dbraw/zinc/10/40/35/1123104035.db2.gz FIQLTAAKZCXTFI-UHFFFAOYSA-N 0 2 289.360 3.596 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2CCC3(CC3)CC2)n1 ZINC000850735941 1123296857 /nfs/dbraw/zinc/29/68/57/1123296857.db2.gz FPXHDCWSFYUPFQ-GFCCVEGCSA-N 0 2 274.389 3.598 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1C ZINC000041545223 1123592305 /nfs/dbraw/zinc/59/23/05/1123592305.db2.gz AJKGUHYOGIHLCQ-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1C ZINC000041545223 1123592309 /nfs/dbraw/zinc/59/23/09/1123592309.db2.gz AJKGUHYOGIHLCQ-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN N#CC(=C(O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381381 1131313205 /nfs/dbraw/zinc/31/32/05/1131313205.db2.gz ICIHQHFHIZWIKC-FMFIFOJESA-N 0 2 290.313 3.673 20 30 CHEDLN N#CC(C(=O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381381 1131313214 /nfs/dbraw/zinc/31/32/14/1131313214.db2.gz ICIHQHFHIZWIKC-FMFIFOJESA-N 0 2 290.313 3.673 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C=Cc2cccnc2)n1 ZINC000131165303 1125375524 /nfs/dbraw/zinc/37/55/24/1125375524.db2.gz JBBKLFWSKWSVLS-GFUIURDCSA-N 0 2 297.383 3.551 20 30 CHEDLN C[C@H]1CC(/N=C\c2cc([N+](=O)[O-])ccc2O)C[C@H](C)C1 ZINC000739426361 1129404459 /nfs/dbraw/zinc/40/44/59/1129404459.db2.gz KMNIKXLAHOSRIV-UXZOXPIXSA-N 0 2 276.336 3.544 20 30 CHEDLN N#C[C@@H](C(=O)CCC1CC1)c1nc(-c2ccncc2)cs1 ZINC000115909123 1129843408 /nfs/dbraw/zinc/84/34/08/1129843408.db2.gz BOSKDUVIJQZRTI-ZDUSSCGKSA-N 0 2 297.383 3.572 20 30 CHEDLN N#Cc1ccc(-c2ccncc2)nc1-c1cc(F)ccc1O ZINC001240695620 1130422753 /nfs/dbraw/zinc/42/27/53/1130422753.db2.gz OQCIAROTAMUTEC-UHFFFAOYSA-N 0 2 291.285 3.527 20 30 CHEDLN CC(N=Nc1cccc(Cl)n1)c1cc(F)cc(F)c1O ZINC000793162029 1130522668 /nfs/dbraw/zinc/52/26/68/1130522668.db2.gz PARXTIINOFGEMC-UHFFFAOYSA-N 0 2 297.692 3.555 20 30 CHEDLN CC(=NNc1cc(C)cc(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000758096238 1130597765 /nfs/dbraw/zinc/59/77/65/1130597765.db2.gz REIVKFYOQWVSDD-UHFFFAOYSA-N 0 2 299.330 3.753 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC=CCC2)s1 ZINC000797570376 1130993632 /nfs/dbraw/zinc/99/36/32/1130993632.db2.gz GKIOKBGBPSGPAN-NWDGAFQWSA-N 0 2 288.416 3.973 20 30 CHEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C(F)=C1CCCC1 ZINC000815897962 1131031879 /nfs/dbraw/zinc/03/18/79/1131031879.db2.gz NMUKAWADWJHXLY-LBPRGKRZSA-N 0 2 297.333 3.547 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2C[C@@H]2C2CC2)s1 ZINC000816067900 1131049766 /nfs/dbraw/zinc/04/97/66/1131049766.db2.gz CWVFKJBKBDHKFS-WOPDTQHZSA-N 0 2 288.416 3.663 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CCc2ccccc2C)n1 ZINC000103635640 1131854570 /nfs/dbraw/zinc/85/45/70/1131854570.db2.gz HGNUYFFHKVNYGF-CQSZACIVSA-N 0 2 284.384 3.569 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCCCC2(F)F)c1 ZINC000840707157 1132273612 /nfs/dbraw/zinc/27/36/12/1132273612.db2.gz OAKIXZCALCDSIZ-SXGUVYOMSA-N 0 2 298.289 3.545 20 30 CHEDLN C#C[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@@H](CC)CCCC ZINC001233915279 1132697385 /nfs/dbraw/zinc/69/73/85/1132697385.db2.gz GPSHQGGJUZRXAB-DZGCQCFKSA-N 0 2 286.375 3.564 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H]2CC[C@H](C(C)C)CC2)c1C#N ZINC001233919489 1132698581 /nfs/dbraw/zinc/69/85/81/1132698581.db2.gz ZOZSJNPBFODGNQ-JOCQHMNTSA-N 0 2 274.364 3.561 20 30 CHEDLN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919465 1132698629 /nfs/dbraw/zinc/69/86/29/1132698629.db2.gz TZSCTKBPBBSXGE-CORIIIEPSA-N 0 2 286.375 3.727 20 30 CHEDLN C=C[C@H](CCCCCC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919363 1132698841 /nfs/dbraw/zinc/69/88/41/1132698841.db2.gz KZUFWRPFXOSWBG-CYBMUJFWSA-N 0 2 274.364 3.871 20 30 CHEDLN C/C=C/[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C1CCCCC1 ZINC001233919463 1132698900 /nfs/dbraw/zinc/69/89/00/1132698900.db2.gz SFVCILCRLXEXLW-MIOHMZDASA-N 0 2 286.375 3.871 20 30 CHEDLN N#C[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC001203579734 1133341770 /nfs/dbraw/zinc/34/17/70/1133341770.db2.gz CYHFXPKKQGMXQW-LLVKDONJSA-N 0 2 285.174 3.577 20 30 CHEDLN N#CC1=C(Nc2cccc(F)c2Cl)SCC1=O ZINC001210540403 1134242317 /nfs/dbraw/zinc/24/23/17/1134242317.db2.gz DTOMJULESFQCJK-UHFFFAOYSA-N 0 2 268.700 3.861 20 30 CHEDLN CC(C)Oc1cc(NC2=C(C#N)C(=O)CS2)ccc1F ZINC001215498725 1134634389 /nfs/dbraw/zinc/63/43/89/1134634389.db2.gz QWANROONLQVZGD-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN N#Cc1cnoc1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215581983 1134647562 /nfs/dbraw/zinc/64/75/62/1134647562.db2.gz OBONKHVSMIGRNN-UHFFFAOYSA-N 0 2 299.073 3.505 20 30 CHEDLN Cc1cc(C#N)cc(C)c1NC1=C(C#N)C(=O)CS1 ZINC001215645363 1134655579 /nfs/dbraw/zinc/65/55/79/1134655579.db2.gz JWVWVJOQQPYANP-UHFFFAOYSA-N 0 2 269.329 3.558 20 30 CHEDLN COc1cc(C)c(C)cc1NC1=C(C#N)C(=O)CS1 ZINC001216373957 1134872591 /nfs/dbraw/zinc/87/25/91/1134872591.db2.gz WRIAUYDWAMVSGM-UHFFFAOYSA-N 0 2 274.345 3.694 20 30 CHEDLN N#Cc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1O ZINC001216979586 1134956400 /nfs/dbraw/zinc/95/64/00/1134956400.db2.gz CQUJKUFEVHIRJR-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1F ZINC000171482368 329076435 /nfs/dbraw/zinc/07/64/35/329076435.db2.gz HJNSHSWEGMRXMD-GFCCVEGCSA-N 0 2 294.285 3.765 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1F ZINC000171482368 329076437 /nfs/dbraw/zinc/07/64/37/329076437.db2.gz HJNSHSWEGMRXMD-GFCCVEGCSA-N 0 2 294.285 3.765 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)co1 ZINC000430604456 330569528 /nfs/dbraw/zinc/56/95/28/330569528.db2.gz NGLNQPTWHFPFQH-LLVKDONJSA-N 0 2 288.372 3.832 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC000835038297 1118811739 /nfs/dbraw/zinc/81/17/39/1118811739.db2.gz VHOOAZGCZWRUSW-YRRQLQLVSA-N 0 2 276.405 3.700 20 30 CHEDLN CC#CCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000184987453 1126898008 /nfs/dbraw/zinc/89/80/08/1126898008.db2.gz DCPBWZCXALYGIA-UHFFFAOYSA-N 0 2 286.158 3.831 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(c3ccccc3C)CC2)n1 ZINC000170709296 1127635959 /nfs/dbraw/zinc/63/59/59/1127635959.db2.gz SISWAFYNPIRTHB-CYBMUJFWSA-N 0 2 296.395 3.668 20 30 CHEDLN Cc1csc(C(C#N)C(=O)CSC(C)(C)C(C)C)n1 ZINC000762994689 1128343339 /nfs/dbraw/zinc/34/33/39/1128343339.db2.gz NCCYDRFANUKGJX-NSHDSACASA-N 0 2 296.461 3.796 20 30 CHEDLN CC(C)Oc1ccccc1NC1=C(C#N)C(=O)CS1 ZINC001210021799 1118131948 /nfs/dbraw/zinc/13/19/48/1118131948.db2.gz BFWKZWWITFZWGL-UHFFFAOYSA-N 0 2 274.345 3.856 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000748149479 1118384173 /nfs/dbraw/zinc/38/41/73/1118384173.db2.gz ZKUNGOGYTLVRIN-VMPITWQZSA-N 0 2 297.310 3.813 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@H](c2ccccc2)C2CC2)n1 ZINC000161884114 1119415215 /nfs/dbraw/zinc/41/52/15/1119415215.db2.gz ZJWVASSDXHAMEH-HUUCEWRRSA-N 0 2 296.395 3.822 20 30 CHEDLN N#C[C@H](C(=O)c1ccoc1C1CC1)c1nc(C2CC2)cs1 ZINC000647379339 1119712520 /nfs/dbraw/zinc/71/25/20/1119712520.db2.gz AKIKDDMMOVIQCO-GFCCVEGCSA-N 0 2 298.367 3.981 20 30 CHEDLN C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000617781550 1128869652 /nfs/dbraw/zinc/86/96/52/1128869652.db2.gz PHIYTBYMQWNOEW-SNVBAGLBSA-N 0 2 297.757 3.613 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@H](C)CC(C)C)n1 ZINC000070031172 1128932870 /nfs/dbraw/zinc/93/28/70/1128932870.db2.gz TWVYZRUWRBIROO-ZYHUDNBSSA-N 0 2 264.394 3.700 20 30 CHEDLN CCOc1cc(F)cc(NC2=C(C#N)C(=O)CS2)c1 ZINC001175002147 1121127628 /nfs/dbraw/zinc/12/76/28/1121127628.db2.gz IVAZJKOCICRZMN-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN Cc1cccc(C#N)c1Nc1c(F)cc(F)c(O)c1F ZINC001176673245 1121672868 /nfs/dbraw/zinc/67/28/68/1121672868.db2.gz PWXVIMVCCVSYMQ-UHFFFAOYSA-N 0 2 278.233 3.733 20 30 CHEDLN Cc1ccc2c(c1)[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000730146971 1121795313 /nfs/dbraw/zinc/79/53/13/1121795313.db2.gz IYGCHKQNVBNJRL-HKJBKDEOSA-N 0 2 296.326 3.715 20 30 CHEDLN C[C@@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1 ZINC000733081219 1121957013 /nfs/dbraw/zinc/95/70/13/1121957013.db2.gz RGQGDJYWDWDXIZ-BQESUSLJSA-N 0 2 276.336 3.544 20 30 CHEDLN N#Cc1c(F)cccc1Nc1cc(O)c(F)c(F)c1F ZINC001249963206 1121977749 /nfs/dbraw/zinc/97/77/49/1121977749.db2.gz SOASGKTVKAYCKZ-UHFFFAOYSA-N 0 2 282.196 3.564 20 30 CHEDLN COc1cc(C)c(NC2=C(C#N)C(=O)CS2)c(C)c1 ZINC001250033924 1122108636 /nfs/dbraw/zinc/10/86/36/1122108636.db2.gz DXRDHLRSZARNSW-UHFFFAOYSA-N 0 2 274.345 3.694 20 30 CHEDLN CCCCCCCC(=O)c1ccc(O)c(C(=O)N(C)C)c1 ZINC001197357469 1122952864 /nfs/dbraw/zinc/95/28/64/1122952864.db2.gz LDJXFLSYBLIUFG-UHFFFAOYSA-N 0 2 291.391 3.637 20 30 CHEDLN CC(=NOCC(F)F)c1ccc(Cl)c(Cl)c1O ZINC000758902746 1123059816 /nfs/dbraw/zinc/05/98/16/1123059816.db2.gz JZJGWPDMZPUZEQ-UHFFFAOYSA-N 0 2 284.089 3.705 20 30 CHEDLN N#CC(C(=O)C12CC(C1)C2)c1nc(-c2ccccc2)cs1 ZINC000860476236 1123734819 /nfs/dbraw/zinc/73/48/19/1123734819.db2.gz GTPLIMVPMLDMOD-OFKYTCTHSA-N 0 2 294.379 3.786 20 30 CHEDLN N#C[C@H](C(=O)C12CC(C1)C2)c1nc(-c2ccccc2)cs1 ZINC000860476236 1123734821 /nfs/dbraw/zinc/73/48/21/1123734821.db2.gz GTPLIMVPMLDMOD-OFKYTCTHSA-N 0 2 294.379 3.786 20 30 CHEDLN CCc1cc(N=Cc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000794678407 1123926500 /nfs/dbraw/zinc/92/65/00/1123926500.db2.gz AGAYLEPETSPNDU-UHFFFAOYSA-N 0 2 288.278 3.753 20 30 CHEDLN CC(C)n1nccc1/C=C/C(=O)c1cc(Cl)ccc1O ZINC000794941314 1124094018 /nfs/dbraw/zinc/09/40/18/1124094018.db2.gz NTQUODDUKINDGY-GQCTYLIASA-N 0 2 290.750 3.719 20 30 CHEDLN Cc1ccc2c(cccc2NC2=C(C#N)C(=O)CS2)n1 ZINC001212796067 1125418084 /nfs/dbraw/zinc/41/80/84/1125418084.db2.gz QJUQRTOYRJUYDW-UHFFFAOYSA-N 0 2 281.340 3.926 20 30 CHEDLN CC[C@@H]1CCC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000740763280 1129418760 /nfs/dbraw/zinc/41/87/60/1129418760.db2.gz FGKDOUKMUXFLBT-GAXBVXIKSA-N 0 2 276.336 3.688 20 30 CHEDLN Cc1cccc([C@@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000741165344 1129430911 /nfs/dbraw/zinc/43/09/11/1129430911.db2.gz LBFMDBCNNBJCKI-FHXOWUIVSA-N 0 2 298.342 3.831 20 30 CHEDLN CCCCCC[C@H](C)NN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000743450897 1129525162 /nfs/dbraw/zinc/52/51/62/1129525162.db2.gz SXHAXCCLXXTMDW-LBPRGKRZSA-N 0 2 293.367 3.583 20 30 CHEDLN O=C(/C=C/c1ccc(O)cc1)c1ccc(O)c(Cl)c1 ZINC000119257172 1129847672 /nfs/dbraw/zinc/84/76/72/1129847672.db2.gz SVIOMHKNZCHFOE-XVNBXDOJSA-N 0 2 274.703 3.647 20 30 CHEDLN Oc1c(Cl)cc(Cl)cc1C=NOCc1cccnc1 ZINC000746585588 1130096114 /nfs/dbraw/zinc/09/61/14/1130096114.db2.gz HSHPRGMUKVZLQN-UHFFFAOYSA-N 0 2 297.141 3.645 20 30 CHEDLN CC(C)c1ccc(C#N)c(-c2cc(F)ccc2O)n1 ZINC001240694097 1130421060 /nfs/dbraw/zinc/42/10/60/1130421060.db2.gz LUFUVAFHPRLOGI-UHFFFAOYSA-N 0 2 256.280 3.588 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CC2(C)CC2)n1 ZINC000759550656 1130662291 /nfs/dbraw/zinc/66/22/91/1130662291.db2.gz UYNUGXZSCRUPMF-JTQLQIEISA-N 0 2 262.378 3.633 20 30 CHEDLN COc1ccc(C(C)N=Nc2cc(C)ccc2F)c(O)c1 ZINC000759665634 1130667992 /nfs/dbraw/zinc/66/79/92/1130667992.db2.gz HFHHTMRIYNPLQW-UHFFFAOYSA-N 0 2 288.322 3.684 20 30 CHEDLN Cc1nc(F)ccc1/C=C/C(=O)c1cc(Cl)ccc1O ZINC000782348488 1130775112 /nfs/dbraw/zinc/77/51/12/1130775112.db2.gz RXAZOUJCKQPPTA-GORDUTHDSA-N 0 2 291.709 3.784 20 30 CHEDLN Cc1ccc(F)c(-c2ncc3c(c2C#N)CCCC3)c1O ZINC001236403471 1130929321 /nfs/dbraw/zinc/92/93/21/1130929321.db2.gz SJCSNZCNBLVLKU-UHFFFAOYSA-N 0 2 282.318 3.652 20 30 CHEDLN C=CCOc1cc(C)nc(-c2cc(Cl)c(O)cc2F)n1 ZINC001245668192 1131117616 /nfs/dbraw/zinc/11/76/16/1131117616.db2.gz PRIQORTZKPSTIP-UHFFFAOYSA-N 0 2 294.713 3.515 20 30 CHEDLN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc2ccccc2s1 ZINC000845438569 1131634560 /nfs/dbraw/zinc/63/45/60/1131634560.db2.gz RDPRXDCXBPNAPW-YNEHKIRRSA-N 0 2 296.395 3.909 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc2ccccc2s1 ZINC000845438569 1131634567 /nfs/dbraw/zinc/63/45/67/1131634567.db2.gz RDPRXDCXBPNAPW-YNEHKIRRSA-N 0 2 296.395 3.909 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(C3CCC3)CCC2)n1 ZINC000835036593 1131761545 /nfs/dbraw/zinc/76/15/45/1131761545.db2.gz MPBBYJIDPMUBFS-LBPRGKRZSA-N 0 2 274.389 3.598 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2(C3CCC3)CCC2)n1 ZINC000835036593 1131761548 /nfs/dbraw/zinc/76/15/48/1131761548.db2.gz MPBBYJIDPMUBFS-LBPRGKRZSA-N 0 2 274.389 3.598 20 30 CHEDLN C=CC[C@H](Oc1nc2[nH]ccc(C)c-2n1)c1ccccc1 ZINC001231063251 1132250506 /nfs/dbraw/zinc/25/05/06/1132250506.db2.gz DBHQKXASCXHXIT-AWEZNQCLSA-N 0 2 279.343 3.963 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000842678001 1132450330 /nfs/dbraw/zinc/45/03/30/1132450330.db2.gz QKKONGSAQRPLDV-QJPTWQEYSA-N 0 2 276.405 3.700 20 30 CHEDLN N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1nc(C2CC2)cs1 ZINC000842941518 1132480333 /nfs/dbraw/zinc/48/03/33/1132480333.db2.gz ARSPPXIYEVAECI-WUHRBBMRSA-N 0 2 286.400 3.633 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1nc(C2CC2)cs1 ZINC000842942813 1132480840 /nfs/dbraw/zinc/48/08/40/1132480840.db2.gz NOHPBIWCDOEGKT-QNWHQSFQSA-N 0 2 286.400 3.633 20 30 CHEDLN N#CC=C(O)c1ccccc1OC1CCCCCC1 ZINC001233525285 1132632883 /nfs/dbraw/zinc/63/28/83/1132632883.db2.gz TVOMFDWSJXWUML-UHFFFAOYSA-N 0 2 257.333 3.885 20 30 CHEDLN N#CC=C(O)c1ccccc1O[C@@H]1CC2CCC1CC2 ZINC001233526125 1132632950 /nfs/dbraw/zinc/63/29/50/1132632950.db2.gz ZMHSBGZUHSVDTF-QWQCLYJRSA-N 0 2 269.344 3.740 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2C[C@H](C)CC(C)(C)C2)c1C#N ZINC001233915247 1132696856 /nfs/dbraw/zinc/69/68/56/1132696856.db2.gz COLZVSVCAYEVKY-CMPLNLGQSA-N 0 2 274.364 3.561 20 30 CHEDLN CCC[C@H]1CCCC[C@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919300 1132698407 /nfs/dbraw/zinc/69/84/07/1132698407.db2.gz FWHDJZPDZYAPFK-GXTWGEPZSA-N 0 2 274.364 3.705 20 30 CHEDLN CCC[C@@H]1CCCC[C@@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919302 1132698498 /nfs/dbraw/zinc/69/84/98/1132698498.db2.gz FWHDJZPDZYAPFK-OCCSQVGLSA-N 0 2 274.364 3.705 20 30 CHEDLN C=C(C)CONC(=O)C1(c2ccccc2)CCCCCC1 ZINC001164454086 1133220218 /nfs/dbraw/zinc/22/02/18/1133220218.db2.gz ACFRJIFEICUYPC-UHFFFAOYSA-N 0 2 287.403 3.903 20 30 CHEDLN C=CC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000297249149 263202428 /nfs/dbraw/zinc/20/24/28/263202428.db2.gz VFSMBSYPBOPTMU-UHFFFAOYSA-N 0 2 274.147 3.850 20 30 CHEDLN CC(C)C[C@H](C/[NH+]=C/c1c(O)ccc2ccccc21)C(=O)[O-] ZINC000736403808 600816518 /nfs/dbraw/zinc/81/65/18/600816518.db2.gz KOKVTRMWCYPYOB-HIPSJFSSSA-N 0 2 299.370 3.711 20 30 CHEDLN CCCOc1cccc(NC2=C(C#N)C(=O)CS2)c1 ZINC001175598099 1121379017 /nfs/dbraw/zinc/37/90/17/1121379017.db2.gz IJPJNSHKCLENHX-UHFFFAOYSA-N 0 2 274.345 3.858 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796748252 1130927701 /nfs/dbraw/zinc/92/77/01/1130927701.db2.gz RBYJSAUKASNCFP-NXEZZACHSA-N 0 2 298.358 3.878 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c(O)c1 ZINC000156704394 1127166298 /nfs/dbraw/zinc/16/62/98/1127166298.db2.gz NFZVDWVLYKZSGC-HWKANZROSA-N 0 2 289.312 3.566 20 30 CHEDLN N#CCCN(Cc1cc(F)c(Cl)cc1O)C1CCCC1 ZINC001237937965 1131154015 /nfs/dbraw/zinc/15/40/15/1131154015.db2.gz VYMCHDFLMSJKIB-UHFFFAOYSA-N 0 2 296.773 3.843 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2ccoc2C(C)C)n1 ZINC000361648648 1127579374 /nfs/dbraw/zinc/57/93/74/1127579374.db2.gz TXGQGZJHBWGRDW-NSHDSACASA-N 0 2 274.345 3.658 20 30 CHEDLN N#CC(C(=O)CC1CCCC1)c1nc2ccccc2o1 ZINC000917510119 1128502377 /nfs/dbraw/zinc/50/23/77/1128502377.db2.gz ONGUKJXNBCTSTK-LBPRGKRZSA-N 0 2 268.316 3.584 20 30 CHEDLN N#CC1=C(Nc2ccnc(Cl)c2Cl)SCC1=O ZINC001212234631 1128558731 /nfs/dbraw/zinc/55/87/31/1128558731.db2.gz MQYWXHMCXYVUII-UHFFFAOYSA-N 0 2 286.143 3.771 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CCCc3ccccc32)c1 ZINC000920943081 1128695646 /nfs/dbraw/zinc/69/56/46/1128695646.db2.gz MOZDRIVQEHYPIS-CJMVGXJBSA-N 0 2 296.326 3.797 20 30 CHEDLN N#Cc1ncccc1Nc1c(Cl)ccc(O)c1Cl ZINC001210146927 1118169179 /nfs/dbraw/zinc/16/91/79/1118169179.db2.gz JFWIEPYATBYYSV-UHFFFAOYSA-N 0 2 280.114 3.709 20 30 CHEDLN Cc1ccc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000748146513 1118374463 /nfs/dbraw/zinc/37/44/63/1118374463.db2.gz JCZUQTNIDIDOTM-SOFGYWHQSA-N 0 2 297.310 3.813 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H](c2ccccc2)C2CC2)n1 ZINC000161883779 1118567631 /nfs/dbraw/zinc/56/76/31/1118567631.db2.gz ZJWVASSDXHAMEH-GJZGRUSLSA-N 0 2 296.395 3.822 20 30 CHEDLN CC(N=Nc1ccc(F)cc1F)c1ccc(O)c(F)c1 ZINC000728430247 1118932707 /nfs/dbraw/zinc/93/27/07/1118932707.db2.gz PMUSKDMFLGKWCU-UHFFFAOYSA-N 0 2 280.249 3.646 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CC(C)(C)C)n1 ZINC000177742373 1119851405 /nfs/dbraw/zinc/85/14/05/1119851405.db2.gz FIVIBWPRNJPMJR-JTQLQIEISA-N 0 2 264.394 3.879 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C2CCCC2)n1 ZINC000177742315 1119851609 /nfs/dbraw/zinc/85/16/09/1119851609.db2.gz ULYGVUCMGXTTTR-NSHDSACASA-N 0 2 262.378 3.633 20 30 CHEDLN CCOc1ccc(F)c(NC2=C(C#N)C(=O)CS2)c1F ZINC001175036953 1121154123 /nfs/dbraw/zinc/15/41/23/1121154123.db2.gz JAXCECSNWJHTFH-UHFFFAOYSA-N 0 2 296.298 3.746 20 30 CHEDLN CC[C@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000727781588 1121740246 /nfs/dbraw/zinc/74/02/46/1121740246.db2.gz QVXJQQKMSVXFJA-PWDRBQJJSA-N 0 2 298.342 3.741 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H](C)CC(C)(C)C)n1 ZINC000773942841 1122075503 /nfs/dbraw/zinc/07/55/03/1122075503.db2.gz HVVHNUFVDVCDJI-ONGXEEELSA-N 0 2 264.394 3.700 20 30 CHEDLN C=CCN(C(=O)c1c(F)ccc(F)c1O)C1CCCCC1 ZINC001192706899 1122657012 /nfs/dbraw/zinc/65/70/12/1122657012.db2.gz QCLQUDHGANVMTD-UHFFFAOYSA-N 0 2 295.329 3.631 20 30 CHEDLN Cc1cc(C)c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000429607454 1122728242 /nfs/dbraw/zinc/72/82/42/1122728242.db2.gz VJTLCIIGZOUQRZ-LBPRGKRZSA-N 0 2 293.326 3.571 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CCC(F)(F)F)n1 ZINC000080458890 1129101205 /nfs/dbraw/zinc/10/12/05/1129101205.db2.gz JQLOXHKGXUARBG-QMMMGPOBSA-N 0 2 290.310 3.785 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCC2(C)C)n1 ZINC000850873981 1123307634 /nfs/dbraw/zinc/30/76/34/1123307634.db2.gz PUOVZCJILSLPIY-WDEREUQCSA-N 0 2 276.405 3.879 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CC=CC2)s1 ZINC000797573363 1123312888 /nfs/dbraw/zinc/31/28/88/1123312888.db2.gz RHLJXNVKMLOGQG-NSHDSACASA-N 0 2 274.389 3.583 20 30 CHEDLN CC[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000740763282 1129419085 /nfs/dbraw/zinc/41/90/85/1129419085.db2.gz FGKDOUKMUXFLBT-RBFMNBHSSA-N 0 2 276.336 3.688 20 30 CHEDLN Cc1ccc([C@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000737440105 1129447813 /nfs/dbraw/zinc/44/78/13/1129447813.db2.gz CBYDJXPIULAXJS-VBEHJTROSA-N 0 2 298.342 3.831 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000741845670 1129455969 /nfs/dbraw/zinc/45/59/69/1129455969.db2.gz VIEUCVCOPHQGGB-QJLVKKIYSA-N 0 2 288.347 3.688 20 30 CHEDLN CCC(CC)(C/N=C\c1cc([N+](=O)[O-])ccc1O)SC ZINC000743044025 1129512301 /nfs/dbraw/zinc/51/23/01/1129512301.db2.gz CSQQFYGQMOUXOS-DHDCSXOGSA-N 0 2 296.392 3.641 20 30 CHEDLN N#Cc1cccc(C#N)c1Nc1ccc(Cl)c(O)c1 ZINC001212591324 1129737590 /nfs/dbraw/zinc/73/75/90/1129737590.db2.gz GQPOADPWMGAKMQ-UHFFFAOYSA-N 0 2 269.691 3.533 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC(C)(C)C(F)(F)F)n1 ZINC000796618421 1129828143 /nfs/dbraw/zinc/82/81/43/1129828143.db2.gz IENKZLKYJAYPDQ-QMMMGPOBSA-N 0 2 290.310 3.606 20 30 CHEDLN CC(=NNc1cc(C)ccc1C)c1sccc1O ZINC000769781714 1129924989 /nfs/dbraw/zinc/92/49/89/1129924989.db2.gz NUHASCYWLVBHOB-UHFFFAOYSA-N 0 2 260.362 3.907 20 30 CHEDLN N#C[C@@H](C(=O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035853 1129968274 /nfs/dbraw/zinc/96/82/74/1129968274.db2.gz MGWMDZNHOXJCTK-KRZKBDHCSA-N 0 2 293.351 3.514 20 30 CHEDLN N#CC(=C(O)C=Cc1ccc[nH]1)c1nc2ccccc2s1 ZINC000802035853 1129968277 /nfs/dbraw/zinc/96/82/77/1129968277.db2.gz MGWMDZNHOXJCTK-KRZKBDHCSA-N 0 2 293.351 3.514 20 30 CHEDLN CCc1ccccc1NN=C(C)c1cc([N+](=O)[O-])ccc1O ZINC000758107412 1130598851 /nfs/dbraw/zinc/59/88/51/1130598851.db2.gz NYEAPJICVPTIOE-UHFFFAOYSA-N 0 2 299.330 3.699 20 30 CHEDLN Cc1ccc(F)c(-c2nc3c(cc2C#N)CCCC3)c1O ZINC001236393594 1130926397 /nfs/dbraw/zinc/92/63/97/1130926397.db2.gz WJCNNSJUGLBMQM-UHFFFAOYSA-N 0 2 282.318 3.652 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)n1 ZINC000797547060 1130991767 /nfs/dbraw/zinc/99/17/67/1130991767.db2.gz CTGKTCLITGPJJV-REBRKWNGSA-N 0 2 296.395 3.678 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)n1 ZINC000797547060 1130991770 /nfs/dbraw/zinc/99/17/70/1130991770.db2.gz CTGKTCLITGPJJV-REBRKWNGSA-N 0 2 296.395 3.678 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C2=CCCC2)s1 ZINC000797572281 1130994276 /nfs/dbraw/zinc/99/42/76/1130994276.db2.gz XASIRXQOUYYYLL-LLVKDONJSA-N 0 2 274.389 3.727 20 30 CHEDLN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1nc2ccccc2s1 ZINC000817714799 1131180634 /nfs/dbraw/zinc/18/06/34/1131180634.db2.gz WZPUMMUFAFHUNF-FDYHWXHSSA-N 0 2 296.395 3.909 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1nc2ccccc2s1 ZINC000817714799 1131180639 /nfs/dbraw/zinc/18/06/39/1131180639.db2.gz WZPUMMUFAFHUNF-FDYHWXHSSA-N 0 2 296.395 3.909 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCCCC2(F)F)c1 ZINC000840707155 1132273119 /nfs/dbraw/zinc/27/31/19/1132273119.db2.gz OAKIXZCALCDSIZ-CPWFCVNUSA-N 0 2 298.289 3.545 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@]2(C)CCc3ccccc32)n1 ZINC000842678195 1132451030 /nfs/dbraw/zinc/45/10/30/1132451030.db2.gz ZWNRWKFWRHJMSG-GUYCJALGSA-N 0 2 296.395 3.532 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1CC12CCCC2)c1nc(C2CC2)cs1 ZINC000842941705 1132480701 /nfs/dbraw/zinc/48/07/01/1132480701.db2.gz SWUIMYDRNOYNJH-RYUDHWBXSA-N 0 2 286.400 3.777 20 30 CHEDLN N#CCC1CC[NH+](Cc2ccc(Cl)c([O-])c2Cl)CC1 ZINC001232630859 1132498467 /nfs/dbraw/zinc/49/84/67/1132498467.db2.gz IKWPCJBSZODRDZ-UHFFFAOYSA-N 0 2 299.201 3.825 20 30 CHEDLN CC[C@H](C)C[C@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915238 1132697352 /nfs/dbraw/zinc/69/73/52/1132697352.db2.gz BUNXPIACLGRUIQ-JQWIXIFHSA-N 0 2 262.353 3.561 20 30 CHEDLN CC[C@@H](C)CC[C@@H](C)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919280 1132698340 /nfs/dbraw/zinc/69/83/40/1132698340.db2.gz DJMCBYZBZKEROU-ZYHUDNBSSA-N 0 2 262.353 3.561 20 30 CHEDLN C=CCCC[C@H](C)NC(=O)c1cc(F)cc(Cl)c1O ZINC001161075372 1132993016 /nfs/dbraw/zinc/99/30/16/1132993016.db2.gz ZKQZLIRLVNMTNA-VIFPVBQESA-N 0 2 285.746 3.659 20 30 CHEDLN C=CCCCCCCC[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209438215 1134020769 /nfs/dbraw/zinc/02/07/69/1134020769.db2.gz HTTWZSRWNXIDOX-UHFFFAOYSA-N 0 2 261.413 3.534 20 30 CHEDLN CCOc1c(F)c(F)ccc1NC1=C(C#N)C(=O)CS1 ZINC001215413244 1134625779 /nfs/dbraw/zinc/62/57/79/1134625779.db2.gz XIRPHKNODZKOQO-UHFFFAOYSA-N 0 2 296.298 3.746 20 30 CHEDLN Cc1occc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430595900 330569558 /nfs/dbraw/zinc/56/95/58/330569558.db2.gz VSXPFTOWJVNGRW-LLVKDONJSA-N 0 2 288.372 3.832 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2c(C)oc3ccccc32)n1 ZINC000186186647 333156534 /nfs/dbraw/zinc/15/65/34/333156534.db2.gz NVBSMRHCOMCWBH-GFCCVEGCSA-N 0 2 296.351 3.996 20 30 CHEDLN C#C[C@@H](CCCC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225885658 1135634244 /nfs/dbraw/zinc/63/42/44/1135634244.db2.gz NQASYPHUQXXRTB-ZETCQYMHSA-N 0 2 276.229 3.519 20 30 CHEDLN CCCCCC[C@H](C)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915391 1128065459 /nfs/dbraw/zinc/06/54/59/1128065459.db2.gz KZEDVURQFIQVSD-LBPRGKRZSA-N 0 2 262.353 3.705 20 30 CHEDLN C=CC(C)(C)CCCNC(=O)c1cc(F)cc(Cl)c1O ZINC001649015279 1128317104 /nfs/dbraw/zinc/31/71/04/1128317104.db2.gz QCNRJNMIJIIQKM-UHFFFAOYSA-N 0 2 299.773 3.907 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\CCCC2CCCC2)c1 ZINC000918154061 1128537843 /nfs/dbraw/zinc/53/78/43/1128537843.db2.gz BFBHBNLRSWYXHE-WJDWOHSUSA-N 0 2 276.336 3.690 20 30 CHEDLN N#CC(=C(O)C=C1CCCC1)c1nc2ccccc2o1 ZINC000920115907 1128666507 /nfs/dbraw/zinc/66/65/07/1128666507.db2.gz OPRZXUXOZMEBJX-LBPRGKRZSA-N 0 2 266.300 3.504 20 30 CHEDLN N#CC(C(=O)C=C1CCCC1)c1nc2ccccc2o1 ZINC000920115907 1128666509 /nfs/dbraw/zinc/66/65/09/1128666509.db2.gz OPRZXUXOZMEBJX-LBPRGKRZSA-N 0 2 266.300 3.504 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(F)cc2Cl)c1 ZINC000920942586 1128695418 /nfs/dbraw/zinc/69/54/18/1128695418.db2.gz LCTWXTBDKAEIQM-UHFFFAOYSA-N 0 2 294.669 3.844 20 30 CHEDLN C=CCCCCCCCC[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209442417 1118061297 /nfs/dbraw/zinc/06/12/97/1118061297.db2.gz IBSOGHCBDJIBAJ-UHFFFAOYSA-N 0 2 275.440 3.924 20 30 CHEDLN CC[C@@H](F)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC001346343945 1118073978 /nfs/dbraw/zinc/07/39/78/1118073978.db2.gz GOWFHZJYTYHKSR-DTWKUNHWSA-N 0 2 296.754 3.874 20 30 CHEDLN CC[C@H](F)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC001346343948 1118074342 /nfs/dbraw/zinc/07/43/42/1118074342.db2.gz GOWFHZJYTYHKSR-IUCAKERBSA-N 0 2 296.754 3.874 20 30 CHEDLN N#CC(C(=O)C1CC1)c1nc2cc(Cl)ccc2s1 ZINC000076606507 1128784360 /nfs/dbraw/zinc/78/43/60/1128784360.db2.gz MLNZEBDAQOJHTD-SECBINFHSA-N 0 2 276.748 3.536 20 30 CHEDLN N#C[C@H](C(=O)C1CC1)c1nc2cc(Cl)ccc2s1 ZINC000076606507 1128784364 /nfs/dbraw/zinc/78/43/64/1128784364.db2.gz MLNZEBDAQOJHTD-SECBINFHSA-N 0 2 276.748 3.536 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccs2)s1 ZINC000430613059 1118621191 /nfs/dbraw/zinc/62/11/91/1118621191.db2.gz UJGXELXCPCCANY-SECBINFHSA-N 0 2 290.413 3.992 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(C(F)F)c2)c1 ZINC000255330981 1118641350 /nfs/dbraw/zinc/64/13/50/1118641350.db2.gz VHJAOCTUALDXKI-UHFFFAOYSA-N 0 2 292.241 3.989 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C=Cc2cccnc2)n1 ZINC000255414165 1118862599 /nfs/dbraw/zinc/86/25/99/1118862599.db2.gz JBBKLFWSKWSVLS-SZZPACECSA-N 0 2 297.383 3.551 20 30 CHEDLN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000617041806 1128813012 /nfs/dbraw/zinc/81/30/12/1128813012.db2.gz JCNHDAQQHPFPRE-YGRLFVJLSA-N 0 2 295.329 3.535 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)cs1 ZINC000647379910 1119712297 /nfs/dbraw/zinc/71/22/97/1119712297.db2.gz XTLHVTHWNHBAPN-LLVKDONJSA-N 0 2 288.397 3.881 20 30 CHEDLN Cc1sccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647380119 1119712404 /nfs/dbraw/zinc/71/24/04/1119712404.db2.gz LWASGCMGQBTYMO-LLVKDONJSA-N 0 2 288.397 3.881 20 30 CHEDLN CCCCCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC001648934228 1121005398 /nfs/dbraw/zinc/00/53/98/1121005398.db2.gz SZTDHGFJTDVGBH-UHFFFAOYSA-N 0 2 287.762 3.885 20 30 CHEDLN Cc1ccc(C#N)c(Nc2c(F)cc(F)c(O)c2F)c1 ZINC001176670078 1121671699 /nfs/dbraw/zinc/67/16/99/1121671699.db2.gz QJMFALZMONJGCO-UHFFFAOYSA-N 0 2 278.233 3.733 20 30 CHEDLN CCCCCCCCS(=O)(=O)Nc1nc(C)cs1 ZINC001187992202 1122450586 /nfs/dbraw/zinc/45/05/86/1122450586.db2.gz COINVDDRFZRGGF-UHFFFAOYSA-N 0 2 290.454 3.554 20 30 CHEDLN Cc1ccoc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000048855087 1122941742 /nfs/dbraw/zinc/94/17/42/1122941742.db2.gz KBPJMCUUYSMSSH-CYBMUJFWSA-N 0 2 276.295 3.626 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)CSC(C)(C)C)n1 ZINC000080456598 1129100214 /nfs/dbraw/zinc/10/02/14/1129100214.db2.gz UZWNKRVVAQRKDR-JTQLQIEISA-N 0 2 296.461 3.974 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)CCC(F)(F)F)n1 ZINC000080458892 1129101041 /nfs/dbraw/zinc/10/10/41/1129101041.db2.gz JQLOXHKGXUARBG-MRVPVSSYSA-N 0 2 290.310 3.785 20 30 CHEDLN CC(C)c1nnc(Nc2ccc(C(F)(F)F)cc2C#N)o1 ZINC001201683829 1123141792 /nfs/dbraw/zinc/14/17/92/1123141792.db2.gz ZHXXZYSYDDBISZ-UHFFFAOYSA-N 0 2 296.252 3.827 20 30 CHEDLN CC(C[C@@H](C)CC(C)C)=NNc1cnnc(O)c1Cl ZINC000779765978 1129104373 /nfs/dbraw/zinc/10/43/73/1129104373.db2.gz BYGATUGSDKWMSX-VIFPVBQESA-N 0 2 284.791 3.696 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H](C)c2ccccc2F)n1 ZINC000109038230 1123235984 /nfs/dbraw/zinc/23/59/84/1123235984.db2.gz UAAAVLXQMHWPBP-CMPLNLGQSA-N 0 2 288.347 3.571 20 30 CHEDLN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2s1 ZINC000850740633 1123297969 /nfs/dbraw/zinc/29/79/69/1123297969.db2.gz YWQVSOPPKMFNMD-NOOOWODRSA-N 0 2 282.368 3.519 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2s1 ZINC000850740633 1123297972 /nfs/dbraw/zinc/29/79/72/1123297972.db2.gz YWQVSOPPKMFNMD-NOOOWODRSA-N 0 2 282.368 3.519 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000850874193 1123307398 /nfs/dbraw/zinc/30/73/98/1123307398.db2.gz VTCGPRUKBPDNHN-FVCCEPFGSA-N 0 2 288.416 3.879 20 30 CHEDLN Cc1coc(C(=O)[C@@H](C#N)c2nc3c(cccc3C)[nH]2)c1C ZINC001122505662 1131300556 /nfs/dbraw/zinc/30/05/56/1131300556.db2.gz FDNOKAVXUQFTJC-GFCCVEGCSA-N 0 2 293.326 3.571 20 30 CHEDLN Cc1coc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1C ZINC001122505662 1131300562 /nfs/dbraw/zinc/30/05/62/1131300562.db2.gz FDNOKAVXUQFTJC-GFCCVEGCSA-N 0 2 293.326 3.571 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H](C)Cc2ccccc2C)n1 ZINC000528907207 1124840788 /nfs/dbraw/zinc/84/07/88/1124840788.db2.gz GSQAOZQMJIUYLA-WFASDCNBSA-N 0 2 298.411 3.815 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2cc(C)c(C)s2)n1 ZINC000041520955 1125433746 /nfs/dbraw/zinc/43/37/46/1125433746.db2.gz QGQPWWQTKYJSCE-JTQLQIEISA-N 0 2 276.386 3.620 20 30 CHEDLN N#CC(C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2o1 ZINC000041547753 1125434344 /nfs/dbraw/zinc/43/43/44/1125434344.db2.gz HXLWZBCFRKLLCP-LBPRGKRZSA-N 0 2 298.248 3.596 20 30 CHEDLN N#C[C@@H](C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2o1 ZINC000041547753 1125434347 /nfs/dbraw/zinc/43/43/47/1125434347.db2.gz HXLWZBCFRKLLCP-LBPRGKRZSA-N 0 2 298.248 3.596 20 30 CHEDLN N#CCN(Cc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000093563278 1129426143 /nfs/dbraw/zinc/42/61/43/1129426143.db2.gz NVXVINFSEMFAPT-UHFFFAOYSA-N 0 2 299.201 3.967 20 30 CHEDLN CCCCCC[C@@H](C)NN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000743450896 1129525319 /nfs/dbraw/zinc/52/53/19/1129525319.db2.gz SXHAXCCLXXTMDW-GFCCVEGCSA-N 0 2 293.367 3.583 20 30 CHEDLN N#C[C@H](C(=O)CCC(F)(F)F)c1nc2ccccc2s1 ZINC000744016346 1129545485 /nfs/dbraw/zinc/54/54/85/1129545485.db2.gz LERFEPWEOKRVPY-MRVPVSSYSA-N 0 2 298.289 3.815 20 30 CHEDLN Cc1ncccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 ZINC000119255926 1129847627 /nfs/dbraw/zinc/84/76/27/1129847627.db2.gz LUSOVUNWNOVHSG-GQCTYLIASA-N 0 2 273.719 3.645 20 30 CHEDLN COc1ccccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 ZINC000119254174 1129847929 /nfs/dbraw/zinc/84/79/29/1129847929.db2.gz RVMLBCQOQGLAQD-SOFGYWHQSA-N 0 2 288.730 3.950 20 30 CHEDLN CC(=NNc1cc(F)cc(F)c1)c1sccc1O ZINC000769779981 1129925136 /nfs/dbraw/zinc/92/51/36/1129925136.db2.gz JNVLNHIRSLECJH-UHFFFAOYSA-N 0 2 268.288 3.568 20 30 CHEDLN Oc1c(Cl)cc(Cl)cc1C=NOC/C=C\Cl ZINC000811668332 1130631563 /nfs/dbraw/zinc/63/15/63/1130631563.db2.gz DTXXOFCJUIJIQR-MTTUKDABSA-N 0 2 280.538 3.802 20 30 CHEDLN N#C[C@H](C(=O)c1cc2cccc(Cl)c2o1)c1ccccn1 ZINC000783068661 1130795624 /nfs/dbraw/zinc/79/56/24/1130795624.db2.gz ICIAFNGEVMLZON-NSHDSACASA-N 0 2 296.713 3.971 20 30 CHEDLN CC(C)c1ccc(C#N)c(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986671 1130823024 /nfs/dbraw/zinc/82/30/24/1130823024.db2.gz UMSFCKLUIWBLFZ-UHFFFAOYSA-N 0 2 292.260 3.867 20 30 CHEDLN N#C[C@H](C(=O)C(F)=CC1CCCCC1)c1ccccn1 ZINC000815907197 1131029775 /nfs/dbraw/zinc/02/97/75/1131029775.db2.gz VIPPLRRJEAWKOS-LFGHMXSPSA-N 0 2 272.323 3.692 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC000815971033 1131037845 /nfs/dbraw/zinc/03/78/45/1131037845.db2.gz QWCYJCHVSGVKPG-BUWBCJGYSA-N 0 2 288.416 3.879 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC000815971033 1131037851 /nfs/dbraw/zinc/03/78/51/1131037851.db2.gz QWCYJCHVSGVKPG-BUWBCJGYSA-N 0 2 288.416 3.879 20 30 CHEDLN N#Cc1cc(C#N)cc(-c2cc(Cl)c(O)cc2F)c1 ZINC001245672676 1131123447 /nfs/dbraw/zinc/12/34/47/1131123447.db2.gz YTUNSMQZGAXAHZ-UHFFFAOYSA-N 0 2 272.666 3.595 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000817720799 1131181174 /nfs/dbraw/zinc/18/11/74/1131181174.db2.gz VIQNQLOQFKKJFS-FDYHWXHSSA-N 0 2 288.416 3.879 20 30 CHEDLN CCCCCCCCC[C@@H](CCC)[NH2+]CS(=O)(=O)[O-] ZINC001173283928 1132456708 /nfs/dbraw/zinc/45/67/08/1132456708.db2.gz AKUKOTUUGYVZRD-CQSZACIVSA-N 0 2 293.473 3.731 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1CC=CCC1)c1nc(C2CC2)cs1 ZINC000842939511 1132480729 /nfs/dbraw/zinc/48/07/29/1132480729.db2.gz VMPMTZRKPNASCR-RYUDHWBXSA-N 0 2 272.373 3.553 20 30 CHEDLN N#CC(C(=O)Cc1cccs1)c1nc(C2CC2)cs1 ZINC000842939209 1132480795 /nfs/dbraw/zinc/48/07/95/1132480795.db2.gz RWLUFUOIKGPIHW-NSHDSACASA-N 0 2 288.397 3.501 20 30 CHEDLN N#C[C@@H](C(=O)Cc1cccs1)c1nc(C2CC2)cs1 ZINC000842939209 1132480797 /nfs/dbraw/zinc/48/07/97/1132480797.db2.gz RWLUFUOIKGPIHW-NSHDSACASA-N 0 2 288.397 3.501 20 30 CHEDLN N#C[C@H](C(=O)C[C@@H]1C=CCCC1)c1nc(C2CC2)cs1 ZINC000842946856 1132482355 /nfs/dbraw/zinc/48/23/55/1132482355.db2.gz XRUGAZGGNYANQM-DGCLKSJQSA-N 0 2 286.400 3.943 20 30 CHEDLN CC[C@@H](C)C[C@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915239 1132697025 /nfs/dbraw/zinc/69/70/25/1132697025.db2.gz BUNXPIACLGRUIQ-PWSUYJOCSA-N 0 2 262.353 3.561 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H](C)CCCC(C)C)c1C#N ZINC001233919275 1132698541 /nfs/dbraw/zinc/69/85/41/1132698541.db2.gz CULVPWHTKYUWCS-LBPRGKRZSA-N 0 2 262.353 3.561 20 30 CHEDLN C=C1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC001161636303 1133012725 /nfs/dbraw/zinc/01/27/25/1133012725.db2.gz SCEYBIXPPZXXGE-UHFFFAOYSA-N 0 2 299.757 3.725 20 30 CHEDLN Cc1ccc(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1C#N ZINC001210399817 1134208985 /nfs/dbraw/zinc/20/89/85/1134208985.db2.gz WAFHSJUFMORVOI-UHFFFAOYSA-N 0 2 283.287 3.533 20 30 CHEDLN N#Cc1ccc(Nc2c(Cl)ccc(O)c2F)c(C#N)c1 ZINC001214564541 1134552100 /nfs/dbraw/zinc/55/21/00/1134552100.db2.gz FSTLFKJSJYZSMH-UHFFFAOYSA-N 0 2 287.681 3.672 20 30 CHEDLN CC(C)c1ccc(N)c(NC2=C(C#N)C(=O)CS2)c1 ZINC001216020802 1134751560 /nfs/dbraw/zinc/75/15/60/1134751560.db2.gz NGGCOVUXQUSRTR-UHFFFAOYSA-N 0 2 273.361 3.775 20 30 CHEDLN C=C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225625353 1135599026 /nfs/dbraw/zinc/59/90/26/1135599026.db2.gz JBMHQNKVOYQPQA-ZDUSSCGKSA-N 0 2 271.272 3.607 20 30 CHEDLN CC[C@H](C#Cc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624500 1135599544 /nfs/dbraw/zinc/59/95/44/1135599544.db2.gz CUKGGPGVAHLSAF-CQSZACIVSA-N 0 2 297.310 3.510 20 30 CHEDLN C#C[C@@H](Oc1c(F)c(F)c(O)c(F)c1F)c1ccccc1 ZINC001225880526 1135633429 /nfs/dbraw/zinc/63/34/29/1135633429.db2.gz VWULRECLVKYNFG-SECBINFHSA-N 0 2 296.219 3.702 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H](C)c2csc(Cl)c2)c1C#N ZINC001226222050 1135674077 /nfs/dbraw/zinc/67/40/77/1135674077.db2.gz TZTTTYOZXXUCNG-QMMMGPOBSA-N 0 2 294.763 3.822 20 30 CHEDLN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000331231147 264153376 /nfs/dbraw/zinc/15/33/76/264153376.db2.gz HSAPEDOALRVCGG-OIBJUYFYSA-N 0 2 299.157 3.696 20 30 CHEDLN CC(C)(C#N)CNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000331240338 264176185 /nfs/dbraw/zinc/17/61/85/264176185.db2.gz POSFQNZZFLIIEH-UHFFFAOYSA-N 0 2 287.146 3.553 20 30 CHEDLN Cc1cc(C#N)c(Nc2c(F)cc(F)c(O)c2F)s1 ZINC001176664420 1121671263 /nfs/dbraw/zinc/67/12/63/1121671263.db2.gz YVXUXEAHHCJETN-UHFFFAOYSA-N 0 2 284.262 3.795 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCC2(C)C)n1 ZINC000850873978 1123307185 /nfs/dbraw/zinc/30/71/85/1123307185.db2.gz PUOVZCJILSLPIY-GHMZBOCLSA-N 0 2 276.405 3.879 20 30 CHEDLN CCC[C@H](C)[C@@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919307 1132698455 /nfs/dbraw/zinc/69/84/55/1132698455.db2.gz GIHYBUZLHYRRDR-GXFFZTMASA-N 0 2 262.353 3.561 20 30 CHEDLN C=CCC1(C=NNc2cnnc(O)c2Cl)CCCCC1 ZINC000884407689 1125562641 /nfs/dbraw/zinc/56/26/41/1125562641.db2.gz KSLOPCLDTBPEAM-UHFFFAOYSA-N 0 2 294.786 3.760 20 30 CHEDLN N#CC(C(=O)CCc1ccccc1)c1nc2ccccc2o1 ZINC000041546139 1128547018 /nfs/dbraw/zinc/54/70/18/1128547018.db2.gz BYQOFMHSTMTYJA-AWEZNQCLSA-N 0 2 290.322 3.637 20 30 CHEDLN CC[C@H](F)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC001346343908 1118074029 /nfs/dbraw/zinc/07/40/29/1118074029.db2.gz GOWFHZJYTYHKSR-BDAKNGLRSA-N 0 2 296.754 3.874 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H](C)c2cccc(F)c2)n1 ZINC000076763631 1128788204 /nfs/dbraw/zinc/78/82/04/1128788204.db2.gz GOHQIOHEMRRFBJ-GXFFZTMASA-N 0 2 288.347 3.571 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H](C)c2cccc(F)c2)n1 ZINC000076763631 1128788207 /nfs/dbraw/zinc/78/82/07/1128788207.db2.gz GOHQIOHEMRRFBJ-GXFFZTMASA-N 0 2 288.347 3.571 20 30 CHEDLN CC(C)n1cc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cn1 ZINC000588480271 1118910679 /nfs/dbraw/zinc/91/06/79/1118910679.db2.gz MDBCHLUDYFGJEB-HYXAFXHYSA-N 0 2 290.750 3.719 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c(O)c1 ZINC000255606127 1119616232 /nfs/dbraw/zinc/61/62/32/1119616232.db2.gz ZQHIUNRNYYTKDS-ALCCZGGFSA-N 0 2 269.325 3.530 20 30 CHEDLN C=CCOc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000255740978 1119736711 /nfs/dbraw/zinc/73/67/11/1119736711.db2.gz KOWNGKLXVIIQKF-UHFFFAOYSA-N 0 2 298.298 3.616 20 30 CHEDLN N#CC[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236796337 1128892118 /nfs/dbraw/zinc/89/21/18/1128892118.db2.gz OFMNUGGGBFQOGY-JTQLQIEISA-N 0 2 299.201 3.825 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC000892803748 1120144525 /nfs/dbraw/zinc/14/45/25/1120144525.db2.gz VWJZKDBMHVXYOE-RWMBFGLXSA-N 0 2 288.416 3.879 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCC[C@H](C)C2)n1 ZINC000122406011 1120168170 /nfs/dbraw/zinc/16/81/70/1120168170.db2.gz VIBFNCBWRGUGEO-CYZMBNFOSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2=CCCCCC2)n1 ZINC000122662860 1120222030 /nfs/dbraw/zinc/22/20/30/1120222030.db2.gz QDPXTSUDZATVHA-GFCCVEGCSA-N 0 2 260.362 3.518 20 30 CHEDLN Cc1csc(C(C#N)=C(O)C2=CCCCCC2)n1 ZINC000122662860 1120222033 /nfs/dbraw/zinc/22/20/33/1120222033.db2.gz QDPXTSUDZATVHA-GFCCVEGCSA-N 0 2 260.362 3.518 20 30 CHEDLN CCCCCCCNC(=O)Nc1ccnc(Cl)c1O ZINC001191086803 1122576524 /nfs/dbraw/zinc/57/65/24/1122576524.db2.gz PQQBBHPIJSYMJC-UHFFFAOYSA-N 0 2 285.775 3.533 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)c2ccccc2)n1 ZINC000048520401 1122717263 /nfs/dbraw/zinc/71/72/63/1122717263.db2.gz IAPRHWCWKZATMB-ZDUSSCGKSA-N 0 2 284.384 3.606 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)CCc2ccco2)n1 ZINC000080452678 1129099814 /nfs/dbraw/zinc/09/98/14/1129099814.db2.gz LCUQIGMXTWUIDA-GFCCVEGCSA-N 0 2 288.372 3.669 20 30 CHEDLN CCCC[C@](C)(F)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000850737368 1123296936 /nfs/dbraw/zinc/29/69/36/1123296936.db2.gz UJIOLWRBGKEZGO-GWCFXTLKSA-N 0 2 268.357 3.546 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2CCCC3(CC3)C2)n1 ZINC000850737071 1123297300 /nfs/dbraw/zinc/29/73/00/1123297300.db2.gz QERCSIROGDCBDV-NWDGAFQWSA-N 0 2 274.389 3.598 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H](C)Cc2ccccc2)n1 ZINC000112148625 1123482205 /nfs/dbraw/zinc/48/22/05/1123482205.db2.gz NIIYJQMWFUKIRH-SMDDNHRTSA-N 0 2 284.384 3.507 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(C)CCC(F)(F)CC2)n1 ZINC000528909322 1124839603 /nfs/dbraw/zinc/83/96/03/1124839603.db2.gz NOMBFJXEFIDLJT-JTQLQIEISA-N 0 2 298.358 3.843 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2(C)CCC(F)(F)CC2)n1 ZINC000528909322 1124839610 /nfs/dbraw/zinc/83/96/10/1124839610.db2.gz NOMBFJXEFIDLJT-JTQLQIEISA-N 0 2 298.358 3.843 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000246422184 1129276854 /nfs/dbraw/zinc/27/68/54/1129276854.db2.gz GCQKZNBPFIAJMN-KZVDOYCCSA-N 0 2 288.416 3.879 20 30 CHEDLN CCc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000735978837 1129361063 /nfs/dbraw/zinc/36/10/63/1129361063.db2.gz MSCZPYQVCRYLAT-LDADJPATSA-N 0 2 298.342 3.524 20 30 CHEDLN Cc1cc(/C=C\C(=O)c2cc(F)ccc2O)ccc1C#N ZINC000766492096 1129670399 /nfs/dbraw/zinc/67/03/99/1129670399.db2.gz UZYGWXBTACVXKN-UTCJRWHESA-N 0 2 281.286 3.608 20 30 CHEDLN CCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000254320834 1129687307 /nfs/dbraw/zinc/68/73/07/1129687307.db2.gz VRSCRTFMCNUMPA-UHFFFAOYSA-N 0 2 270.288 3.613 20 30 CHEDLN CCON=C(CC)c1cc(Cl)cc(Cl)c1O ZINC000767461268 1129795311 /nfs/dbraw/zinc/79/53/11/1129795311.db2.gz HHHLWQPUBXNBGS-UHFFFAOYSA-N 0 2 262.136 3.850 20 30 CHEDLN C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000800790077 1129887949 /nfs/dbraw/zinc/88/79/49/1129887949.db2.gz BEKDMYGOKVTGQO-VUPJLDGMSA-N 0 2 276.317 3.542 20 30 CHEDLN CC(=NNc1ccccc1Cl)c1sccc1O ZINC000769763629 1129922728 /nfs/dbraw/zinc/92/27/28/1129922728.db2.gz QOHQBBLSBZAQPQ-UHFFFAOYSA-N 0 2 266.753 3.943 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c(O)c1 ZINC000770572141 1129950980 /nfs/dbraw/zinc/95/09/80/1129950980.db2.gz MHHUMGUMQCYJPY-DAXSKMNVSA-N 0 2 281.286 3.608 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2C[C@@H]2C(F)F)s1 ZINC000802250556 1129985710 /nfs/dbraw/zinc/98/57/10/1129985710.db2.gz ZKIOGZVFECYWAF-CIUDSAMLSA-N 0 2 298.358 3.518 20 30 CHEDLN N#Cc1c2ccccc2cnc1-c1cc(F)ccc1O ZINC001240693533 1130421096 /nfs/dbraw/zinc/42/10/96/1130421096.db2.gz FEUQOTXURAAEBE-UHFFFAOYSA-N 0 2 264.259 3.618 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2cc(Cl)cs2)n1 ZINC000759422200 1130653823 /nfs/dbraw/zinc/65/38/23/1130653823.db2.gz TZXVSIWIICIIOR-QMMMGPOBSA-N 0 2 282.777 3.657 20 30 CHEDLN C=CC[C@H](Oc1cc(O)cc2oc(C)cc(=O)c12)C(C)C ZINC001234819676 1130678974 /nfs/dbraw/zinc/67/89/74/1130678974.db2.gz MZYGDHRRYBHQRX-AWEZNQCLSA-N 0 2 288.343 3.787 20 30 CHEDLN CCCCCCCS(=O)(=O)Nc1cc(C(C)C)on1 ZINC000799640548 1131097671 /nfs/dbraw/zinc/09/76/71/1131097671.db2.gz VSRVRTAGUYGDNE-UHFFFAOYSA-N 0 2 288.413 3.510 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2=CCC(C)(C)CC2)n1 ZINC000835038080 1131762895 /nfs/dbraw/zinc/76/28/95/1131762895.db2.gz UGPVEICYOIHTPU-GFCCVEGCSA-N 0 2 274.389 3.764 20 30 CHEDLN C=C[C@@H](CCCCCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973206 1131989572 /nfs/dbraw/zinc/98/95/72/1131989572.db2.gz HYKSGDHLRFVPPS-LBPRGKRZSA-N 0 2 295.335 3.910 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCCCC2(F)F)c1 ZINC000840707158 1132273664 /nfs/dbraw/zinc/27/36/64/1132273664.db2.gz OAKIXZCALCDSIZ-XZDJTBRNSA-N 0 2 298.289 3.545 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cccc(C3CC3)c2)n1 ZINC000842280263 1132414774 /nfs/dbraw/zinc/41/47/74/1132414774.db2.gz AIGHGRGHIKDYIZ-HNNXBMFYSA-N 0 2 296.395 3.748 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)Cc2cccc(C3CC3)c2)n1 ZINC000842280263 1132414781 /nfs/dbraw/zinc/41/47/81/1132414781.db2.gz AIGHGRGHIKDYIZ-HNNXBMFYSA-N 0 2 296.395 3.748 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@]2(C)CCc3ccccc32)n1 ZINC000842678196 1132450595 /nfs/dbraw/zinc/45/05/95/1132450595.db2.gz ZWNRWKFWRHJMSG-SUMWQHHRSA-N 0 2 296.395 3.532 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1CC12CCCC2)c1nc(C2CC2)cs1 ZINC000842941706 1132480636 /nfs/dbraw/zinc/48/06/36/1132480636.db2.gz SWUIMYDRNOYNJH-VXGBXAGGSA-N 0 2 286.400 3.777 20 30 CHEDLN C#C[C@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@H](CC)CCCC ZINC001233915280 1132697458 /nfs/dbraw/zinc/69/74/58/1132697458.db2.gz GPSHQGGJUZRXAB-HIFRSBDPSA-N 0 2 286.375 3.564 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c1C#N ZINC001233915253 1132697485 /nfs/dbraw/zinc/69/74/85/1132697485.db2.gz CTCFYJMYHWCNEA-XNJJOIOASA-N 0 2 286.375 3.561 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C#N ZINC001233915250 1132697680 /nfs/dbraw/zinc/69/76/80/1132697680.db2.gz COLZVSVCAYEVKY-ZYHUDNBSSA-N 0 2 274.364 3.561 20 30 CHEDLN CCOc1ccc(F)c(NC2=C(C#N)C(=O)CS2)c1 ZINC001211053551 1134358430 /nfs/dbraw/zinc/35/84/30/1134358430.db2.gz YDXGGVLWMCLTKJ-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN N#CC1=C(Nc2ccc(Cl)nc2Cl)SCC1=O ZINC001211273543 1134401078 /nfs/dbraw/zinc/40/10/78/1134401078.db2.gz BATNJDFHRYLVDP-UHFFFAOYSA-N 0 2 286.143 3.771 20 30 CHEDLN N#Cc1cccc(O)c1Nc1ccc(Cl)c(O)c1F ZINC001214804161 1134575718 /nfs/dbraw/zinc/57/57/18/1134575718.db2.gz OIUWRGHNERBTKR-UHFFFAOYSA-N 0 2 278.670 3.506 20 30 CHEDLN C=CC[C@@H](CCCC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225626487 1135599016 /nfs/dbraw/zinc/59/90/16/1135599016.db2.gz SACVRIONSUEHIC-NSHDSACASA-N 0 2 265.309 3.814 20 30 CHEDLN N#C[C@H](Oc1c(F)c(F)c(O)c(F)c1F)c1ccccc1 ZINC001225878677 1135633351 /nfs/dbraw/zinc/63/33/51/1135633351.db2.gz FMJBGWVMIMKIEP-QMMMGPOBSA-N 0 2 297.207 3.592 20 30 CHEDLN Cc1oc(C#N)cc1-c1nc(-c2ccc(Cl)s2)no1 ZINC000347122692 226033715 /nfs/dbraw/zinc/03/37/15/226033715.db2.gz WNUXEKJEUZPFER-UHFFFAOYSA-N 0 2 291.719 3.892 20 30 CHEDLN CCc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000178257305 261383405 /nfs/dbraw/zinc/38/34/05/261383405.db2.gz HQUZOHWNLKEOQE-AWEZNQCLSA-N 0 2 290.322 3.880 20 30 CHEDLN CCc1ccccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178257305 261383407 /nfs/dbraw/zinc/38/34/07/261383407.db2.gz HQUZOHWNLKEOQE-AWEZNQCLSA-N 0 2 290.322 3.880 20 30 CHEDLN CC(C)(C#N)CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000279568843 263056086 /nfs/dbraw/zinc/05/60/86/263056086.db2.gz YKXRQDFNLXQRSQ-UHFFFAOYSA-N 0 2 287.146 3.577 20 30 CHEDLN N#C[C@@H](C(=O)c1coc(C2CCCCC2)n1)c1ccccn1 ZINC000558871785 327128645 /nfs/dbraw/zinc/12/86/45/327128645.db2.gz VPSIMUWMNQNQFT-CYBMUJFWSA-N 0 2 295.342 3.607 20 30 CHEDLN Cc1cccc2c1CC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000729641020 1125481747 /nfs/dbraw/zinc/48/17/47/1125481747.db2.gz ANXYUHIDUDIMLY-HKJBKDEOSA-N 0 2 296.326 3.715 20 30 CHEDLN Cc1nc(C#N)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214796425 1134573642 /nfs/dbraw/zinc/57/36/42/1134573642.db2.gz UORULWUAPVLWDV-UHFFFAOYSA-N 0 2 277.686 3.503 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC(C)(C)c2ccccc2)n1 ZINC000067785527 1125788165 /nfs/dbraw/zinc/78/81/65/1125788165.db2.gz HBEKOCHXMDESMN-CQSZACIVSA-N 0 2 298.411 3.996 20 30 CHEDLN CCc1oc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1C ZINC000161174907 1126803293 /nfs/dbraw/zinc/80/32/93/1126803293.db2.gz HUIMUYIJXKAWIC-NSHDSACASA-N 0 2 293.326 3.517 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC=CCC2)n1 ZINC000080459099 1127218453 /nfs/dbraw/zinc/21/84/53/1127218453.db2.gz PQWXQKZULIVZCK-VXGBXAGGSA-N 0 2 274.389 3.799 20 30 CHEDLN N#C[C@@H](C(=O)CC1CC1)c1nc2cc(Cl)ccc2s1 ZINC000917047073 1128469188 /nfs/dbraw/zinc/46/91/88/1128469188.db2.gz QNZKYDJQEWNWSK-JTQLQIEISA-N 0 2 290.775 3.926 20 30 CHEDLN Cc1ccc2c(c1)CC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000920177952 1128670678 /nfs/dbraw/zinc/67/06/78/1128670678.db2.gz MLDVKUPLXHVCLC-PMFHANACSA-N 0 2 296.326 3.715 20 30 CHEDLN Cc1ccccc1[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000920943863 1128695312 /nfs/dbraw/zinc/69/53/12/1128695312.db2.gz BVBFYZWDVSDKDS-HJPCULJESA-N 0 2 284.315 3.789 20 30 CHEDLN N#CC1=C(Nc2coc3ccccc23)SCC1=O ZINC001203145984 1128728474 /nfs/dbraw/zinc/72/84/74/1128728474.db2.gz AODCADNZEIGXAV-UHFFFAOYSA-N 0 2 256.286 3.815 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CCc2ccoc2)n1 ZINC000175982693 1118547481 /nfs/dbraw/zinc/54/74/81/1118547481.db2.gz NDOSDHYIUMIQSN-LBPRGKRZSA-N 0 2 288.372 3.669 20 30 CHEDLN CSc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000255366350 1118676001 /nfs/dbraw/zinc/67/60/01/1118676001.db2.gz OSNZAJKTESDNIJ-UHFFFAOYSA-N 0 2 288.328 3.773 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000835038295 1118811796 /nfs/dbraw/zinc/81/17/96/1118811796.db2.gz VHOOAZGCZWRUSW-LYIQGSDWSA-N 0 2 276.405 3.700 20 30 CHEDLN N#CC(C(=O)C1(C2CC2)CC1)c1nc2ccccc2s1 ZINC000892425020 1119699245 /nfs/dbraw/zinc/69/92/45/1119699245.db2.gz LLWICRWSFCCZKJ-LLVKDONJSA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@H](C(=O)C1(C2CC2)CC1)c1nc2ccccc2s1 ZINC000892425020 1119699248 /nfs/dbraw/zinc/69/92/48/1119699248.db2.gz LLWICRWSFCCZKJ-LLVKDONJSA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@@H](C(=O)c1ccoc1C1CC1)c1nc(C2CC2)cs1 ZINC000647379340 1119712568 /nfs/dbraw/zinc/71/25/68/1119712568.db2.gz AKIKDDMMOVIQCO-LBPRGKRZSA-N 0 2 298.367 3.981 20 30 CHEDLN N#Cc1ccc(/C=C/C(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000119265138 1120196729 /nfs/dbraw/zinc/19/67/29/1120196729.db2.gz WEGAMYQVANLWSG-FNORWQNLSA-N 0 2 283.714 3.813 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C[C@@H](C)CC(C)C)n1 ZINC000070031167 1128932824 /nfs/dbraw/zinc/93/28/24/1128932824.db2.gz TWVYZRUWRBIROO-JQWIXIFHSA-N 0 2 264.394 3.700 20 30 CHEDLN CCOc1ccc(NC2=C(C#N)C(=O)CS2)c(F)c1 ZINC001175247713 1121244839 /nfs/dbraw/zinc/24/48/39/1121244839.db2.gz IYTXWUMURIMHKA-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN CC[C@@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000727781585 1121740139 /nfs/dbraw/zinc/74/01/39/1121740139.db2.gz QVXJQQKMSVXFJA-BRYHAGSVSA-N 0 2 298.342 3.741 20 30 CHEDLN Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000429607449 1122728339 /nfs/dbraw/zinc/72/83/39/1122728339.db2.gz VJTLCIIGZOUQRZ-GFCCVEGCSA-N 0 2 293.326 3.571 20 30 CHEDLN C=CCOC(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001194319818 1122765657 /nfs/dbraw/zinc/76/56/57/1122765657.db2.gz GHVQAKHHUVURDV-UHFFFAOYSA-N 0 2 276.119 3.742 20 30 CHEDLN Cc1csc(C(C#N)C(=O)CC2=CCCCC2)n1 ZINC000106982283 1123215754 /nfs/dbraw/zinc/21/57/54/1123215754.db2.gz ONJLKRPBXOSWTH-GFCCVEGCSA-N 0 2 260.362 3.518 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC2=CCCCC2)n1 ZINC000106982283 1123215758 /nfs/dbraw/zinc/21/57/58/1123215758.db2.gz ONJLKRPBXOSWTH-GFCCVEGCSA-N 0 2 260.362 3.518 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCC2(C)C)n1 ZINC000850873980 1123307610 /nfs/dbraw/zinc/30/76/10/1123307610.db2.gz PUOVZCJILSLPIY-QWRGUYRKSA-N 0 2 276.405 3.879 20 30 CHEDLN Cc1ccc(C)c(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041545790 1123592412 /nfs/dbraw/zinc/59/24/12/1123592412.db2.gz QXPXPBPOZBWNFP-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC2(C)CCCCC2)n1 ZINC000125898826 1124943199 /nfs/dbraw/zinc/94/31/99/1124943199.db2.gz AWATZEFUUVTYAI-LBPRGKRZSA-N 0 2 276.405 3.988 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2CCC(C)(C)CC2)n1 ZINC000131921803 1125412459 /nfs/dbraw/zinc/41/24/59/1125412459.db2.gz AUACPZXHFDLMPC-GFCCVEGCSA-N 0 2 276.405 3.844 20 30 CHEDLN CC(C)(C)c1ccc(C#N)c(-c2cc(F)ccc2O)n1 ZINC001240696592 1129321355 /nfs/dbraw/zinc/32/13/55/1129321355.db2.gz SPHSVJBXFGWYSM-UHFFFAOYSA-N 0 2 270.307 3.762 20 30 CHEDLN CC1(C)CCC(/N=C\c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000741466618 1129437051 /nfs/dbraw/zinc/43/70/51/1129437051.db2.gz YDULDAZBYNXWDA-YBEGLDIGSA-N 0 2 276.336 3.688 20 30 CHEDLN CC(=NNc1cccc(Cl)c1)c1sccc1O ZINC000769764508 1129922593 /nfs/dbraw/zinc/92/25/93/1129922593.db2.gz ZORPWSAJZJEOFG-UHFFFAOYSA-N 0 2 266.753 3.943 20 30 CHEDLN CCc1ccccc1NN=C(C)c1sccc1O ZINC000769779258 1129923329 /nfs/dbraw/zinc/92/33/29/1129923329.db2.gz BAXFADICSZTRJF-UHFFFAOYSA-N 0 2 260.362 3.852 20 30 CHEDLN N#CC(C(=O)CCCC(F)(F)F)c1nc2ccccc2o1 ZINC000771262347 1129975535 /nfs/dbraw/zinc/97/55/35/1129975535.db2.gz WJCCFKLNJQIWFQ-VIFPVBQESA-N 0 2 296.248 3.737 20 30 CHEDLN ON=Cc1ccccc1O[C@@H](c1cccnc1)C(F)(F)F ZINC001234820092 1130678850 /nfs/dbraw/zinc/67/88/50/1130678850.db2.gz RSWBDZISCPEZAH-ZDUSSCGKSA-N 0 2 296.248 3.572 20 30 CHEDLN CC(=NOCC1CC1)c1ccc(Cl)c(Cl)c1O ZINC000814241610 1130852062 /nfs/dbraw/zinc/85/20/62/1130852062.db2.gz LXFZKVXHEQESQV-UHFFFAOYSA-N 0 2 274.147 3.850 20 30 CHEDLN CC(C)[C@H](F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000784507161 1130907627 /nfs/dbraw/zinc/90/76/27/1130907627.db2.gz RIJIDQKDMKDFDM-SKDRFNHKSA-N 0 2 294.326 3.606 20 30 CHEDLN Cc1ccc(F)c(-c2nc(C)c(C)c(C)c2C#N)c1O ZINC001236390718 1130925110 /nfs/dbraw/zinc/92/51/10/1130925110.db2.gz HEVUEMRNUDDCKL-UHFFFAOYSA-N 0 2 270.307 3.699 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000797547061 1130992044 /nfs/dbraw/zinc/99/20/44/1130992044.db2.gz CTGKTCLITGPJJV-ZGKBOVNRSA-N 0 2 296.395 3.678 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000797547061 1130992046 /nfs/dbraw/zinc/99/20/46/1130992046.db2.gz CTGKTCLITGPJJV-ZGKBOVNRSA-N 0 2 296.395 3.678 20 30 CHEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)C(F)=C3CCCC3)nc21 ZINC000815954918 1131038886 /nfs/dbraw/zinc/03/88/86/1131038886.db2.gz NVRQFXGBCQWTRF-GFCCVEGCSA-N 0 2 297.333 3.845 20 30 CHEDLN Cc1cccc2nc([C@H](C#N)C(=O)C(F)=C3CCCC3)[nH]c21 ZINC000815954918 1131038891 /nfs/dbraw/zinc/03/88/91/1131038891.db2.gz NVRQFXGBCQWTRF-GFCCVEGCSA-N 0 2 297.333 3.845 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000842281416 1132414568 /nfs/dbraw/zinc/41/45/68/1132414568.db2.gz LLFGQNGSIXBCMB-CPUCHLNUSA-N 0 2 296.395 3.822 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000842281416 1132414574 /nfs/dbraw/zinc/41/45/74/1132414574.db2.gz LLFGQNGSIXBCMB-CPUCHLNUSA-N 0 2 296.395 3.822 20 30 CHEDLN N#CC(C(=O)[C@@H]1Cc2ccccc21)c1nc(C2CC2)cs1 ZINC000842942137 1132480768 /nfs/dbraw/zinc/48/07/68/1132480768.db2.gz WFZBLCUXUKVWOC-ZIAGYGMSSA-N 0 2 294.379 3.537 20 30 CHEDLN C=CCCC[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1O ZINC001161075371 1132992932 /nfs/dbraw/zinc/99/29/32/1132992932.db2.gz ZKQZLIRLVNMTNA-SECBINFHSA-N 0 2 285.746 3.659 20 30 CHEDLN N#Cc1ccc(Cl)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399253 1134208852 /nfs/dbraw/zinc/20/88/52/1134208852.db2.gz TYYAKPGAAHSNSI-UHFFFAOYSA-N 0 2 289.678 3.569 20 30 CHEDLN N#Cc1cc(Nc2cccc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC001211327189 1134408882 /nfs/dbraw/zinc/40/88/82/1134408882.db2.gz ATGSYCNGPPTDIQ-UHFFFAOYSA-N 0 2 289.678 3.569 20 30 CHEDLN N#CC1=C(Nc2ccccc2N2CCCC2)SCC1=O ZINC001213604208 1134467330 /nfs/dbraw/zinc/46/73/30/1134467330.db2.gz PTLLAMKFYHTCMO-UHFFFAOYSA-N 0 2 285.372 3.669 20 30 CHEDLN N#Cc1ncc(Cl)cc1Nc1ccc(Cl)c(O)c1F ZINC001214797724 1134573561 /nfs/dbraw/zinc/57/35/61/1134573561.db2.gz DZBMMMXKCJBXJN-UHFFFAOYSA-N 0 2 298.104 3.848 20 30 CHEDLN O/N=C(\O[C@H]1CC(F)(F)C1(F)F)c1ccc(Cl)cc1 ZINC001223592834 1135364013 /nfs/dbraw/zinc/36/40/13/1135364013.db2.gz FWJIQWCDPHRCFD-KNZYWQTRSA-N 0 2 297.635 3.535 20 30 CHEDLN CCC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)c1ccccc1 ZINC001226222661 1135673907 /nfs/dbraw/zinc/67/39/07/1135673907.db2.gz GFCKNEUCMNEOFP-HNNXBMFYSA-N 0 2 282.343 3.888 20 30 CHEDLN N#C[C@H](C(=O)c1coc(C2CCCCC2)n1)c1ccccn1 ZINC000558871786 327128766 /nfs/dbraw/zinc/12/87/66/327128766.db2.gz VPSIMUWMNQNQFT-ZDUSSCGKSA-N 0 2 295.342 3.607 20 30 CHEDLN CC(C)C[C@@H](C/[NH+]=C/c1c(O)ccc2ccccc21)C(=O)[O-] ZINC000736403811 600816514 /nfs/dbraw/zinc/81/65/14/600816514.db2.gz KOKVTRMWCYPYOB-YRIIZNAFSA-N 0 2 299.370 3.711 20 30 CHEDLN C#C[C@H](CCCC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225885655 1135634370 /nfs/dbraw/zinc/63/43/70/1135634370.db2.gz NQASYPHUQXXRTB-SSDOTTSWSA-N 0 2 276.229 3.519 20 30 CHEDLN Cc1ccc2c(c1)CC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000920177942 1128670667 /nfs/dbraw/zinc/67/06/67/1128670667.db2.gz MLDVKUPLXHVCLC-LTKMBJGESA-N 0 2 296.326 3.715 20 30 CHEDLN C[C@H](CCc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000920942974 1128695705 /nfs/dbraw/zinc/69/57/05/1128695705.db2.gz WFBQPYSKLGBAAL-FDIDITGRSA-N 0 2 298.342 3.741 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\[C@H]2CCCc3ccccc32)c1 ZINC000920943082 1128695718 /nfs/dbraw/zinc/69/57/18/1128695718.db2.gz MOZDRIVQEHYPIS-GYXHFJGISA-N 0 2 296.326 3.797 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@H](C)c2cccc(F)c2)n1 ZINC000076763640 1128788138 /nfs/dbraw/zinc/78/81/38/1128788138.db2.gz GOHQIOHEMRRFBJ-ZWNOBZJWSA-N 0 2 288.347 3.571 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)n1 ZINC000076763640 1128788141 /nfs/dbraw/zinc/78/81/41/1128788141.db2.gz GOHQIOHEMRRFBJ-ZWNOBZJWSA-N 0 2 288.347 3.571 20 30 CHEDLN O=C(/C=C\c1cccc(O)c1)c1ccc(O)c(Cl)c1 ZINC000588480329 1118910586 /nfs/dbraw/zinc/91/05/86/1118910586.db2.gz FBSKYPGTWVORLC-XQRVVYSFSA-N 0 2 274.703 3.647 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C2=CCCC2)n1 ZINC000121738882 1118974064 /nfs/dbraw/zinc/97/40/64/1118974064.db2.gz LSAHQBCIMDZNMO-LLVKDONJSA-N 0 2 260.362 3.553 20 30 CHEDLN CC(C)c1csc(C(C#N)=C(O)C2=CCCC2)n1 ZINC000121738882 1118974068 /nfs/dbraw/zinc/97/40/68/1118974068.db2.gz LSAHQBCIMDZNMO-LLVKDONJSA-N 0 2 260.362 3.553 20 30 CHEDLN Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccn1 ZINC000342378117 1118996014 /nfs/dbraw/zinc/99/60/14/1118996014.db2.gz XYODAQAIDYKHEC-LBPRGKRZSA-N 0 2 299.399 3.634 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3ncsc3c2)c1 ZINC000255540070 1119196193 /nfs/dbraw/zinc/19/61/93/1119196193.db2.gz DIRSYICJWRSKTJ-UHFFFAOYSA-N 0 2 299.311 3.661 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C=Cc2ccco2)n1 ZINC000177742247 1119851117 /nfs/dbraw/zinc/85/11/17/1119851117.db2.gz HOIZJSZGSYHWQA-BTDICHCPSA-N 0 2 286.356 3.749 20 30 CHEDLN N#CC(C(=O)C1CC=CC1)c1nc(-c2ccccc2)cs1 ZINC000077941219 1128886922 /nfs/dbraw/zinc/88/69/22/1128886922.db2.gz ANFWZRODRARYOE-AWEZNQCLSA-N 0 2 294.379 3.953 20 30 CHEDLN N#C[C@@H](C(=O)C1CC=CC1)c1nc(-c2ccccc2)cs1 ZINC000077941219 1128886928 /nfs/dbraw/zinc/88/69/28/1128886928.db2.gz ANFWZRODRARYOE-AWEZNQCLSA-N 0 2 294.379 3.953 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC23CCC3)n1 ZINC000759852278 1120585879 /nfs/dbraw/zinc/58/58/79/1120585879.db2.gz XEUGBXCKXXALTF-QWRGUYRKSA-N 0 2 274.389 3.633 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CC23CCC3)n1 ZINC000759852281 1120585981 /nfs/dbraw/zinc/58/59/81/1120585981.db2.gz XEUGBXCKXXALTF-WDEREUQCSA-N 0 2 274.389 3.633 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2CCCC[C@H]2C2CC2)n1 ZINC000842677596 1128952507 /nfs/dbraw/zinc/95/25/07/1128952507.db2.gz FSEFYTVBOGVRBW-MELADBBJSA-N 0 2 288.416 3.844 20 30 CHEDLN C=CCN(C(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000647742044 1120994732 /nfs/dbraw/zinc/99/47/32/1120994732.db2.gz YGWCOVXVQZAQKV-UHFFFAOYSA-N 0 2 289.281 3.503 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)oc1C ZINC000676053623 1121397693 /nfs/dbraw/zinc/39/76/93/1121397693.db2.gz XWRWGHUDWDTWRI-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN C=CC[C@H](Oc1c(F)c(F)c(O)c(F)c1F)C(C)C ZINC001225884128 1122620812 /nfs/dbraw/zinc/62/08/12/1122620812.db2.gz GMGBAHDVILECQJ-ZETCQYMHSA-N 0 2 278.245 3.928 20 30 CHEDLN C#CC[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000775789529 1122971365 /nfs/dbraw/zinc/97/13/65/1122971365.db2.gz RMJZRYMWNUISSA-OAHLLOKOSA-N 0 2 299.757 3.540 20 30 CHEDLN Cc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)[nH+]1 ZINC000430600748 1123016381 /nfs/dbraw/zinc/01/63/81/1123016381.db2.gz YJAKQCOWJKYJFH-NSHDSACASA-N 0 2 299.399 3.634 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2C=CCC2)n1 ZINC000080455228 1129100180 /nfs/dbraw/zinc/10/01/80/1129100180.db2.gz JDRDOWLOFASHKU-VXGBXAGGSA-N 0 2 274.389 3.799 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C[C@H]2C=CCC2)n1 ZINC000080455218 1129100263 /nfs/dbraw/zinc/10/02/63/1129100263.db2.gz JDRDOWLOFASHKU-NWDGAFQWSA-N 0 2 274.389 3.799 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H]2CCCC3(CC3)C2)n1 ZINC000850737072 1123297442 /nfs/dbraw/zinc/29/74/42/1123297442.db2.gz QERCSIROGDCBDV-RYUDHWBXSA-N 0 2 274.389 3.598 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)s1 ZINC000851006951 1123316296 /nfs/dbraw/zinc/31/62/96/1123316296.db2.gz HAECIDFIBNWIOJ-NOOOWODRSA-N 0 2 288.416 3.663 20 30 CHEDLN CC(C)n1nccc1/C=C\C(=O)c1cc(Cl)ccc1O ZINC000794941315 1124093939 /nfs/dbraw/zinc/09/39/39/1124093939.db2.gz NTQUODDUKINDGY-XQRVVYSFSA-N 0 2 290.750 3.719 20 30 CHEDLN N#CC(=C(O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381388 1131313278 /nfs/dbraw/zinc/31/32/78/1131313278.db2.gz ICIHQHFHIZWIKC-FWWRYZNZSA-N 0 2 290.313 3.673 20 30 CHEDLN N#CC(C(=O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381388 1131313283 /nfs/dbraw/zinc/31/32/83/1131313283.db2.gz ICIHQHFHIZWIKC-FWWRYZNZSA-N 0 2 290.313 3.673 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C=Cc2cccnc2)n1 ZINC000131165476 1125375475 /nfs/dbraw/zinc/37/54/75/1125375475.db2.gz JBBKLFWSKWSVLS-URWSZGRFSA-N 0 2 297.383 3.551 20 30 CHEDLN CC[C@H](C)C[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000743041692 1129511384 /nfs/dbraw/zinc/51/13/84/1129511384.db2.gz BZWAIPJRHFAIFJ-BVLLQVSASA-N 0 2 264.325 3.544 20 30 CHEDLN Cc1cc(C)c(NN=Cc2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000743445393 1129524219 /nfs/dbraw/zinc/52/42/19/1129524219.db2.gz SCCDZTMKNFPNHM-UHFFFAOYSA-N 0 2 299.330 3.672 20 30 CHEDLN C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000800790074 1129887839 /nfs/dbraw/zinc/88/78/39/1129887839.db2.gz BEKDMYGOKVTGQO-CULDGANSSA-N 0 2 276.317 3.542 20 30 CHEDLN CC(=NN=c1[nH]c2ccccc2s1)c1sccc1O ZINC000769766538 1129922425 /nfs/dbraw/zinc/92/24/25/1129922425.db2.gz NMLWTVTZSMHUGU-UHFFFAOYSA-N 0 2 289.385 3.900 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2ccc(Cl)s2)n1 ZINC000802033127 1129967767 /nfs/dbraw/zinc/96/77/67/1129967767.db2.gz ZAIUSGHHQPEDOL-SECBINFHSA-N 0 2 296.804 3.585 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)Cc2ccc(Cl)s2)n1 ZINC000802033127 1129967770 /nfs/dbraw/zinc/96/77/70/1129967770.db2.gz ZAIUSGHHQPEDOL-SECBINFHSA-N 0 2 296.804 3.585 20 30 CHEDLN C=CCCCCCCCNC(=O)C(F)C(F)(F)F ZINC000811589895 1130623825 /nfs/dbraw/zinc/62/38/25/1130623825.db2.gz LDBMYFBGQFFVPM-SNVBAGLBSA-N 0 2 269.282 3.530 20 30 CHEDLN C=CCCCCCCCNC(=O)[C@@H](F)C(F)(F)F ZINC000811589895 1130623827 /nfs/dbraw/zinc/62/38/27/1130623827.db2.gz LDBMYFBGQFFVPM-SNVBAGLBSA-N 0 2 269.282 3.530 20 30 CHEDLN N#C[C@H](C(=O)C1=CCCCC1)c1nc2ccccc2s1 ZINC000783067930 1130795380 /nfs/dbraw/zinc/79/53/80/1130795380.db2.gz BQELBMIUALFNRN-GFCCVEGCSA-N 0 2 282.368 3.973 20 30 CHEDLN N#C[C@@H](C(=O)c1cc2cccc(Cl)c2o1)c1ccccn1 ZINC000783068660 1130795710 /nfs/dbraw/zinc/79/57/10/1130795710.db2.gz ICIAFNGEVMLZON-LLVKDONJSA-N 0 2 296.713 3.971 20 30 CHEDLN N#Cc1c(F)ccc(-c2c(F)cc(F)c(O)c2F)c1F ZINC001235999319 1130826776 /nfs/dbraw/zinc/82/67/76/1130826776.db2.gz DOKFKOSLFISTSX-UHFFFAOYSA-N 0 2 285.171 3.626 20 30 CHEDLN CC(C)[C@@H](F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000784507160 1130908346 /nfs/dbraw/zinc/90/83/46/1130908346.db2.gz RIJIDQKDMKDFDM-JOYOIKCWSA-N 0 2 294.326 3.606 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc(C2CC2)cs1 ZINC000845613643 1131647027 /nfs/dbraw/zinc/64/70/27/1131647027.db2.gz BDMYJKJYOPTSSJ-ZMJPVWNMSA-N 0 2 298.411 3.799 20 30 CHEDLN C=CCONC(=O)C1(c2ccccc2)CCCCCC1 ZINC001140880067 1131956273 /nfs/dbraw/zinc/95/62/73/1131956273.db2.gz WXBFZFJNUZWVMJ-UHFFFAOYSA-N 0 2 273.376 3.512 20 30 CHEDLN CC(C)(C)C#CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000837507789 1132080674 /nfs/dbraw/zinc/08/06/74/1132080674.db2.gz OYNJBBLTGZZNGA-UHFFFAOYSA-N 0 2 286.158 3.687 20 30 CHEDLN N#CC(=C(O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694231 1132451877 /nfs/dbraw/zinc/45/18/77/1132451877.db2.gz TUVIDOLAXZENII-ASCRHOAZSA-N 0 2 280.327 3.750 20 30 CHEDLN N#CC(C(=O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694231 1132451883 /nfs/dbraw/zinc/45/18/83/1132451883.db2.gz TUVIDOLAXZENII-ASCRHOAZSA-N 0 2 280.327 3.750 20 30 CHEDLN N#CC(=C(O)C=C(C1CC1)C1CC1)c1nc(C2CC2)cs1 ZINC000842943392 1132480448 /nfs/dbraw/zinc/48/04/48/1132480448.db2.gz WAIDDKFVFMLUQI-AWEZNQCLSA-N 0 2 298.411 3.943 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1nc(C2CC2)cs1 ZINC000842942811 1132480775 /nfs/dbraw/zinc/48/07/75/1132480775.db2.gz NOHPBIWCDOEGKT-FDYHWXHSSA-N 0 2 286.400 3.633 20 30 CHEDLN C=CC[C@@H](CCC)Oc1cc(O)cc2occc(=O)c12 ZINC001233828248 1132686085 /nfs/dbraw/zinc/68/60/85/1132686085.db2.gz ZPFWURXMLXNLGH-LBPRGKRZSA-N 0 2 274.316 3.622 20 30 CHEDLN CCC(CC)[C@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915229 1132697449 /nfs/dbraw/zinc/69/74/49/1132697449.db2.gz BATMZCCXASOIRE-ZDUSSCGKSA-N 0 2 262.353 3.561 20 30 CHEDLN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919468 1132698261 /nfs/dbraw/zinc/69/82/61/1132698261.db2.gz TZSCTKBPBBSXGE-ZLDLUXBVSA-N 0 2 286.375 3.727 20 30 CHEDLN CC(C)Oc1cccc(NC2=C(C#N)C(=O)CS2)c1 ZINC001174113135 1132728263 /nfs/dbraw/zinc/72/82/63/1132728263.db2.gz SOZBDFHKZJOIRB-UHFFFAOYSA-N 0 2 274.345 3.856 20 30 CHEDLN CCc1cccc(C)c1NC1=C(C#N)C(=O)CS1 ZINC001210874509 1134320671 /nfs/dbraw/zinc/32/06/71/1134320671.db2.gz GKNHQDCVIPEOLZ-UHFFFAOYSA-N 0 2 258.346 3.940 20 30 CHEDLN Cc1ncc(C2CC2)cc1NC1=C(C#N)C(=O)CS1 ZINC001213494907 1134454381 /nfs/dbraw/zinc/45/43/81/1134454381.db2.gz LWFQIIUJSNTMBX-UHFFFAOYSA-N 0 2 271.345 3.650 20 30 CHEDLN N#Cc1ccc(Nc2ccc(Cl)c(O)c2F)cc1 ZINC001214799012 1134574863 /nfs/dbraw/zinc/57/48/63/1134574863.db2.gz GWMYCSCJPGFSLP-UHFFFAOYSA-N 0 2 262.671 3.800 20 30 CHEDLN C#C[C@@H](CCCCC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225880268 1135632963 /nfs/dbraw/zinc/63/29/63/1135632963.db2.gz SGEBAFSNKGZUGP-QMMMGPOBSA-N 0 2 290.256 3.910 20 30 CHEDLN Cc1ccc([C@@H](C)Oc2[nH]c(=O)cc(C)c2C#N)c(C)c1 ZINC001226222913 1135673717 /nfs/dbraw/zinc/67/37/17/1135673717.db2.gz JSLRKGYUUUJDLI-CYBMUJFWSA-N 0 2 282.343 3.724 20 30 CHEDLN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000331231148 264152814 /nfs/dbraw/zinc/15/28/14/264152814.db2.gz HSAPEDOALRVCGG-XVKPBYJWSA-N 0 2 299.157 3.696 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)s2)n1 ZINC000048520367 328309541 /nfs/dbraw/zinc/30/95/41/328309541.db2.gz IKYFPIKFTZUJKT-ZETCQYMHSA-N 0 2 282.777 3.657 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2ccc(Cl)s2)n1 ZINC000048520367 328309543 /nfs/dbraw/zinc/30/95/43/328309543.db2.gz IKYFPIKFTZUJKT-ZETCQYMHSA-N 0 2 282.777 3.657 20 30 CHEDLN C=Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 ZINC000559843922 327264451 /nfs/dbraw/zinc/26/44/51/327264451.db2.gz IOVLBYAVYPFBHQ-CQSZACIVSA-N 0 2 288.306 3.961 20 30 CHEDLN C=Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000559843922 327264452 /nfs/dbraw/zinc/26/44/52/327264452.db2.gz IOVLBYAVYPFBHQ-CQSZACIVSA-N 0 2 288.306 3.961 20 30 CHEDLN C=Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 ZINC000559843915 327264537 /nfs/dbraw/zinc/26/45/37/327264537.db2.gz IOVLBYAVYPFBHQ-AWEZNQCLSA-N 0 2 288.306 3.961 20 30 CHEDLN C=Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000559843915 327264539 /nfs/dbraw/zinc/26/45/39/327264539.db2.gz IOVLBYAVYPFBHQ-AWEZNQCLSA-N 0 2 288.306 3.961 20 30 CHEDLN N#C[C@@H](C(=O)CCCF)c1nc2cc(Cl)ccc2s1 ZINC000850771712 1123301219 /nfs/dbraw/zinc/30/12/19/1123301219.db2.gz WUNFCJZEDXFLJW-VIFPVBQESA-N 0 2 296.754 3.876 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C2=CCCC2)s1 ZINC000797572282 1130993648 /nfs/dbraw/zinc/99/36/48/1130993648.db2.gz XASIRXQOUYYYLL-NSHDSACASA-N 0 2 274.389 3.727 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CC2(C)C)s1 ZINC000797568413 1130993753 /nfs/dbraw/zinc/99/37/53/1130993753.db2.gz RIQJQFXEXUULAL-ZJUUUORDSA-N 0 2 276.405 3.663 20 30 CHEDLN C=CCC[C@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000291275084 1127414847 /nfs/dbraw/zinc/41/48/47/1127414847.db2.gz LRPNNNOTLFKTGJ-RYUDHWBXSA-N 0 2 289.272 3.711 20 30 CHEDLN C=CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000291275084 1127414848 /nfs/dbraw/zinc/41/48/48/1127414848.db2.gz LRPNNNOTLFKTGJ-RYUDHWBXSA-N 0 2 289.272 3.711 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nccc3ccccc32)c(C)o1 ZINC000361519868 1127568993 /nfs/dbraw/zinc/56/89/93/1127568993.db2.gz QQUULVNZLPUKPM-INIZCTEOSA-N 0 2 290.322 3.935 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCCC(F)(F)C2)c1 ZINC000800721394 1128032825 /nfs/dbraw/zinc/03/28/25/1128032825.db2.gz MKQMKQYKZOIJBD-HLGUWXJESA-N 0 2 298.289 3.545 20 30 CHEDLN CCCCC[C@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915242 1128064747 /nfs/dbraw/zinc/06/47/47/1128064747.db2.gz BUTHNNWDESPKRT-LBPRGKRZSA-N 0 2 262.353 3.705 20 30 CHEDLN CCCCC[C@@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915241 1128065027 /nfs/dbraw/zinc/06/50/27/1128065027.db2.gz BUTHNNWDESPKRT-GFCCVEGCSA-N 0 2 262.353 3.705 20 30 CHEDLN Oc1c(Cl)cc(Cl)cc1C=NNc1ccccn1 ZINC000916273540 1128415305 /nfs/dbraw/zinc/41/53/05/1128415305.db2.gz JGDHSTZQVZGSEG-UHFFFAOYSA-N 0 2 282.130 3.540 20 30 CHEDLN Cc1ccccc1C[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000917556875 1128507127 /nfs/dbraw/zinc/50/71/27/1128507127.db2.gz QDHVQRGDUQBWHQ-VBEHJTROSA-N 0 2 298.342 3.659 20 30 CHEDLN N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 ZINC000041546318 1128547078 /nfs/dbraw/zinc/54/70/78/1128547078.db2.gz ULQYAZPJHYXXIB-GFCCVEGCSA-N 0 2 296.713 3.971 20 30 CHEDLN N#CC(C(=O)C=Cc1ccsc1)c1nc2ccccc2o1 ZINC000920115551 1128666183 /nfs/dbraw/zinc/66/61/83/1128666183.db2.gz GSAAQZMYNJJGMR-FOQNGQEVSA-N 0 2 294.335 3.779 20 30 CHEDLN C[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)[C@H]1C ZINC000920943102 1128695413 /nfs/dbraw/zinc/69/54/13/1128695413.db2.gz NMLWONCHPJZJMC-GOPYKCFCSA-N 0 2 276.336 3.544 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Cl)cc2F)c1 ZINC000920942511 1128695532 /nfs/dbraw/zinc/69/55/32/1128695532.db2.gz HOHWVVXYMLLQKO-UHFFFAOYSA-N 0 2 294.669 3.844 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccccc2Cl)c1 ZINC000920942598 1128695565 /nfs/dbraw/zinc/69/55/65/1128695565.db2.gz LKGRWAZSADKORT-SXGWCWSVSA-N 0 2 290.706 3.573 20 30 CHEDLN C[C@@H](CCc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000022727115 1118073201 /nfs/dbraw/zinc/07/32/01/1118073201.db2.gz WFBQPYSKLGBAAL-HTMJNSLASA-N 0 2 298.342 3.741 20 30 CHEDLN CC[C@H](C)[C@H](C(=O)Nc1nc(C)n[nH]1)c1ccccc1 ZINC000083683137 1118358656 /nfs/dbraw/zinc/35/86/56/1118358656.db2.gz URNUANJQFONHRJ-GWCFXTLKSA-N 0 2 272.352 3.531 20 30 CHEDLN N#Cc1ccc(-c2csc(Nc3nccs3)n2)s1 ZINC001210989848 1118435661 /nfs/dbraw/zinc/43/56/61/1118435661.db2.gz AVBUZVQIKOEDEG-UHFFFAOYSA-N 0 2 290.398 3.943 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c(O)c1 ZINC000255270040 1118542218 /nfs/dbraw/zinc/54/22/18/1118542218.db2.gz NFZVDWVLYKZSGC-HYXAFXHYSA-N 0 2 289.312 3.566 20 30 CHEDLN Cc1[nH+]cccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430608519 1118612419 /nfs/dbraw/zinc/61/24/19/1118612419.db2.gz DIARNDSOXVMEKH-LBPRGKRZSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1ncccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430608519 1118612421 /nfs/dbraw/zinc/61/24/21/1118612421.db2.gz DIARNDSOXVMEKH-LBPRGKRZSA-N 0 2 299.399 3.634 20 30 CHEDLN O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc([O-])c(Cl)c1 ZINC000588480244 1118910962 /nfs/dbraw/zinc/91/09/62/1118910962.db2.gz DKWHWCKEBGFKDU-ALCCZGGFSA-N 0 2 298.729 3.589 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(c3ccccc3)CCC2)n1 ZINC000048787546 1119126688 /nfs/dbraw/zinc/12/66/88/1119126688.db2.gz QYFPGVOTRHGTDR-CQSZACIVSA-N 0 2 296.395 3.750 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H](c2ccccc2)C2CC2)n1 ZINC000161883900 1119415102 /nfs/dbraw/zinc/41/51/02/1119415102.db2.gz ZJWVASSDXHAMEH-CABCVRRESA-N 0 2 296.395 3.822 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041546085 1120283773 /nfs/dbraw/zinc/28/37/73/1120283773.db2.gz OEYKUUMHFRSKDR-ZDUSSCGKSA-N 0 2 276.295 3.626 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C2=CCCCC2)n1 ZINC000124593858 1120668876 /nfs/dbraw/zinc/66/88/76/1120668876.db2.gz XIAPJVQODXWDNL-LBPRGKRZSA-N 0 2 274.389 3.943 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C[C@H](C)CC(C)C)n1 ZINC000070031171 1128932528 /nfs/dbraw/zinc/93/25/28/1128932528.db2.gz TWVYZRUWRBIROO-PWSUYJOCSA-N 0 2 264.394 3.700 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@@H](C)CC(C)C)n1 ZINC000070031169 1128932534 /nfs/dbraw/zinc/93/25/34/1128932534.db2.gz TWVYZRUWRBIROO-CMPLNLGQSA-N 0 2 264.394 3.700 20 30 CHEDLN N#CC1=C(Nc2cccc3cccnc32)SCC1=O ZINC001174856758 1121067677 /nfs/dbraw/zinc/06/76/77/1121067677.db2.gz BJCAPBGZJBZGQK-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN CCOc1c(F)cccc1NC1=C(C#N)C(=O)CS1 ZINC001212535440 1121262090 /nfs/dbraw/zinc/26/20/90/1121262090.db2.gz WGNNOYFADNUVOK-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)oc1C ZINC000676053624 1121398754 /nfs/dbraw/zinc/39/87/54/1121398754.db2.gz XWRWGHUDWDTWRI-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN COc1cccc(NC2=C(C#N)C(=O)CS2)c1Cl ZINC001175895023 1121480008 /nfs/dbraw/zinc/48/00/08/1121480008.db2.gz VVXWLSSWHQMLGK-UHFFFAOYSA-N 0 2 280.736 3.731 20 30 CHEDLN N#CC1=C(Nc2ccc(Cl)cc2)SCC1=O ZINC001176726316 1121680960 /nfs/dbraw/zinc/68/09/60/1121680960.db2.gz OBTUUGOXGSXYHJ-UHFFFAOYSA-N 0 2 250.710 3.722 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H](C)CC(C)(C)C)n1 ZINC000773942840 1122075643 /nfs/dbraw/zinc/07/56/43/1122075643.db2.gz HVVHNUFVDVCDJI-MWLCHTKSSA-N 0 2 264.394 3.700 20 30 CHEDLN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(Cl)c1O ZINC000620306006 1129050214 /nfs/dbraw/zinc/05/02/14/1129050214.db2.gz ZCTSDPKPCRJIFD-PHIMTYICSA-N 0 2 295.741 3.508 20 30 CHEDLN CC(C)c1ccccc1NC(=O)c1cccc(C#N)c1O ZINC001193634313 1122702900 /nfs/dbraw/zinc/70/29/00/1122702900.db2.gz BZTDEDRDNNCDFD-UHFFFAOYSA-N 0 2 280.327 3.640 20 30 CHEDLN N#CC1=C(Nc2ccc(C3CC3)cc2)SCC1=O ZINC001201674886 1123133936 /nfs/dbraw/zinc/13/39/36/1123133936.db2.gz KAQUTDIGDHHEJP-UHFFFAOYSA-N 0 2 256.330 3.946 20 30 CHEDLN N#CC(C(=O)C1CC2(CC2)C1)c1nc2ccccc2s1 ZINC000850738793 1123297218 /nfs/dbraw/zinc/29/72/18/1123297218.db2.gz FOZGIOJOHAOMOL-NSHDSACASA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@@H](C(=O)C1CC2(CC2)C1)c1nc2ccccc2s1 ZINC000850738793 1123297222 /nfs/dbraw/zinc/29/72/22/1123297222.db2.gz FOZGIOJOHAOMOL-NSHDSACASA-N 0 2 282.368 3.663 20 30 CHEDLN CC1(C)CCCC(N=Nc2cn[nH]c(=O)c2Cl)CC1 ZINC000853283843 1123431700 /nfs/dbraw/zinc/43/17/00/1123431700.db2.gz FKGPKDPDJHSXIU-UHFFFAOYSA-N 0 2 282.775 3.594 20 30 CHEDLN CC1(C)CCCC(=NNc2cnnc(O)c2Cl)CC1 ZINC000853283843 1123431702 /nfs/dbraw/zinc/43/17/02/1123431702.db2.gz FKGPKDPDJHSXIU-UHFFFAOYSA-N 0 2 282.775 3.594 20 30 CHEDLN N#C[C@@H](C(=O)CCC1CC1)c1nc2ccccc2s1 ZINC000734706056 1129317921 /nfs/dbraw/zinc/31/79/21/1129317921.db2.gz NGSZOPAIYSNIQQ-NSHDSACASA-N 0 2 270.357 3.663 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(Cc3ccccc3)CC2)n1 ZINC000092693661 1129404409 /nfs/dbraw/zinc/40/44/09/1129404409.db2.gz BBAXAUVWGQFWSA-CQSZACIVSA-N 0 2 296.395 3.651 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2(Cc3ccccc3)CC2)n1 ZINC000092693661 1129404412 /nfs/dbraw/zinc/40/44/12/1129404412.db2.gz BBAXAUVWGQFWSA-CQSZACIVSA-N 0 2 296.395 3.651 20 30 CHEDLN N#C[C@@H](C(=O)CC1CCC1)c1nc2cc(F)ccc2s1 ZINC000744117854 1129553494 /nfs/dbraw/zinc/55/34/94/1129553494.db2.gz CMQHKDOZBKAIFO-NSHDSACASA-N 0 2 288.347 3.802 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796748260 1129800864 /nfs/dbraw/zinc/80/08/64/1129800864.db2.gz RBYJSAUKASNCFP-ZJUUUORDSA-N 0 2 298.358 3.878 20 30 CHEDLN COc1ccc(NN=C(C)c2sccc2O)cc1Cl ZINC000769803156 1129926048 /nfs/dbraw/zinc/92/60/48/1129926048.db2.gz VSXAEQFJSCEXSN-UHFFFAOYSA-N 0 2 296.779 3.952 20 30 CHEDLN C=CCCCCCCCNC(=O)C(F)C(F)(F)F ZINC000811589894 1130623781 /nfs/dbraw/zinc/62/37/81/1130623781.db2.gz LDBMYFBGQFFVPM-JTQLQIEISA-N 0 2 269.282 3.530 20 30 CHEDLN C=CCCCCCCCNC(=O)[C@H](F)C(F)(F)F ZINC000811589894 1130623784 /nfs/dbraw/zinc/62/37/84/1130623784.db2.gz LDBMYFBGQFFVPM-JTQLQIEISA-N 0 2 269.282 3.530 20 30 CHEDLN C=CC[C@H](CCC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234813020 1130677795 /nfs/dbraw/zinc/67/77/95/1130677795.db2.gz DGZVJQSFOPHRAJ-CYBMUJFWSA-N 0 2 288.343 3.931 20 30 CHEDLN CC(N=Nc1ccc(F)c(F)c1F)c1ccc(O)cc1F ZINC000814945339 1130943400 /nfs/dbraw/zinc/94/34/00/1130943400.db2.gz ALVCFXNZRGXPGI-UHFFFAOYSA-N 0 2 298.239 3.785 20 30 CHEDLN N#CC(C(=O)[C@@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712153 1131180820 /nfs/dbraw/zinc/18/08/20/1131180820.db2.gz JIPIWJFSWBKNMX-OLZOCXBDSA-N 0 2 294.379 3.786 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712153 1131180825 /nfs/dbraw/zinc/18/08/25/1131180825.db2.gz JIPIWJFSWBKNMX-OLZOCXBDSA-N 0 2 294.379 3.786 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2CC(C(C)(C)C)C2)n1 ZINC000838783348 1132145682 /nfs/dbraw/zinc/14/56/82/1132145682.db2.gz GKQIHFJULBGPJD-MCIGGMRASA-N 0 2 276.405 3.700 20 30 CHEDLN N#C[C@@H](C(=O)C=Cc1ccco1)c1nc(C2CC2)cs1 ZINC000842939807 1132478736 /nfs/dbraw/zinc/47/87/36/1132478736.db2.gz XXHVIYZQEPQKQV-FJOGCWAESA-N 0 2 284.340 3.503 20 30 CHEDLN N#C[C@H](C(=O)CC1CCCC1)c1nc(C2CC2)cs1 ZINC000842937593 1132479105 /nfs/dbraw/zinc/47/91/05/1132479105.db2.gz FXHOSTAYJVOZHS-GFCCVEGCSA-N 0 2 274.389 3.777 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1CC=CCC1)c1nc(C2CC2)cs1 ZINC000842939509 1132480454 /nfs/dbraw/zinc/48/04/54/1132480454.db2.gz VMPMTZRKPNASCR-NEPJUHHUSA-N 0 2 272.373 3.553 20 30 CHEDLN N#C[C@@H](C(=O)CC1CC(F)(F)C1)c1nc(C2CC2)cs1 ZINC000842941639 1132480526 /nfs/dbraw/zinc/48/05/26/1132480526.db2.gz CBPAJCQKEPYXHZ-JTQLQIEISA-N 0 2 296.342 3.632 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1CCC(F)(F)C1)c1nc(C2CC2)cs1 ZINC000842945392 1132482308 /nfs/dbraw/zinc/48/23/08/1132482308.db2.gz QGQURUKXUDLWHN-ZJUUUORDSA-N 0 2 296.342 3.632 20 30 CHEDLN N#C[C@H]1CCCCN1Cc1ccc(Cl)c(O)c1Cl ZINC001232627612 1132498092 /nfs/dbraw/zinc/49/80/92/1132498092.db2.gz LQTATEVGTMZUPE-SNVBAGLBSA-N 0 2 285.174 3.577 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1C#N ZINC001233919267 1132698015 /nfs/dbraw/zinc/69/80/15/1132698015.db2.gz CKWAPZSMXVIGBF-MGPQQGTHSA-N 0 2 286.375 3.705 20 30 CHEDLN CCCC[C@@H](CCC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919440 1132698067 /nfs/dbraw/zinc/69/80/67/1132698067.db2.gz QFROPGDEVIWGRR-GFCCVEGCSA-N 0 2 262.353 3.705 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H]2CC[C@@H](C(C)(C)C)CC2)c1C#N ZINC001233919447 1132698785 /nfs/dbraw/zinc/69/87/85/1132698785.db2.gz RBYUPUXRORGERE-BETUJISGSA-N 0 2 288.391 3.951 20 30 CHEDLN N#CC1=C(Nc2ccc(Cl)c(C#N)c2)SCC1=O ZINC001174402893 1132816745 /nfs/dbraw/zinc/81/67/45/1132816745.db2.gz ZQKMMRFWERBKLU-UHFFFAOYSA-N 0 2 275.720 3.594 20 30 CHEDLN N#C[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC001203579741 1133341590 /nfs/dbraw/zinc/34/15/90/1133341590.db2.gz CYHFXPKKQGMXQW-NSHDSACASA-N 0 2 285.174 3.577 20 30 CHEDLN COc1cc(Cl)ccc1NC1=C(C#N)C(=O)CS1 ZINC001209910372 1134101098 /nfs/dbraw/zinc/10/10/98/1134101098.db2.gz XGAXPNRNVKJYHE-UHFFFAOYSA-N 0 2 280.736 3.731 20 30 CHEDLN CSc1ccc(NC2=C(C#N)C(=O)CS2)c(F)c1 ZINC001210877161 1134322735 /nfs/dbraw/zinc/32/27/35/1134322735.db2.gz UKQYBDUOMPKAGK-UHFFFAOYSA-N 0 2 280.349 3.930 20 30 CHEDLN N#Cc1ccnc(Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001210923232 1134327957 /nfs/dbraw/zinc/32/79/57/1134327957.db2.gz ODOUNRVQURVFOL-UHFFFAOYSA-N 0 2 280.114 3.709 20 30 CHEDLN COc1ccc(C)c(F)c1NC1=C(C#N)C(=O)CS1 ZINC001214627022 1134558534 /nfs/dbraw/zinc/55/85/34/1134558534.db2.gz DQWVEVOOHIGNFW-UHFFFAOYSA-N 0 2 278.308 3.525 20 30 CHEDLN CC(=O)c1ccc(F)c(NC2=C(C#N)C(=O)CS2)c1F ZINC001214755417 1134568155 /nfs/dbraw/zinc/56/81/55/1134568155.db2.gz FWTMCPCSYLLNTC-UHFFFAOYSA-N 0 2 294.282 3.550 20 30 CHEDLN N#Cc1ccc(Nc2ccc(Cl)c(O)c2F)c(F)c1 ZINC001214798911 1134575337 /nfs/dbraw/zinc/57/53/37/1134575337.db2.gz AXSMTVNRYKYPPH-UHFFFAOYSA-N 0 2 280.661 3.939 20 30 CHEDLN Cc1cc(OC(C)C)ncc1NC1=C(C#N)C(=O)CS1 ZINC001215770728 1134682088 /nfs/dbraw/zinc/68/20/88/1134682088.db2.gz IDAZJFWVWOWIAD-UHFFFAOYSA-N 0 2 289.360 3.560 20 30 CHEDLN COc1ccc(NC2=C(C#N)C(=O)CS2)c(C)c1C ZINC001215973657 1134737196 /nfs/dbraw/zinc/73/71/96/1134737196.db2.gz VGHHUURNSPEKKD-UHFFFAOYSA-N 0 2 274.345 3.694 20 30 CHEDLN Cc1c(F)ccc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001216342891 1134862976 /nfs/dbraw/zinc/86/29/76/1134862976.db2.gz UIIOBRYGXMLQGR-UHFFFAOYSA-N 0 2 266.272 3.656 20 30 CHEDLN C=CC[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225620644 1135598146 /nfs/dbraw/zinc/59/81/46/1135598146.db2.gz RZFPAGRMFDFJTO-AWEZNQCLSA-N 0 2 285.299 3.997 20 30 CHEDLN C#C[C@H](Oc1c(F)c(F)c(O)c(F)c1F)c1ccccc1 ZINC001225880527 1135633278 /nfs/dbraw/zinc/63/32/78/1135633278.db2.gz VWULRECLVKYNFG-VIFPVBQESA-N 0 2 296.219 3.702 20 30 CHEDLN CCOc1ccc([C@H](C)Oc2[nH]c(=O)cc(C)c2C#N)cc1 ZINC001226222393 1135673815 /nfs/dbraw/zinc/67/38/15/1135673815.db2.gz ZSOGKJHGGSAORH-LBPRGKRZSA-N 0 2 298.342 3.506 20 30 CHEDLN CC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)c1ccccc1F ZINC001226222687 1135673859 /nfs/dbraw/zinc/67/38/59/1135673859.db2.gz GOADTZJLKVCFLI-CQSZACIVSA-N 0 2 286.306 3.637 20 30 CHEDLN CC(C)n1cccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000179611556 260058216 /nfs/dbraw/zinc/05/82/16/260058216.db2.gz XHXJVUGZWUWOKG-LBPRGKRZSA-N 0 2 293.326 3.700 20 30 CHEDLN CC(C)n1cccc1C(O)=C(C#N)c1nc2ccccc2o1 ZINC000179611556 260058218 /nfs/dbraw/zinc/05/82/18/260058218.db2.gz XHXJVUGZWUWOKG-LBPRGKRZSA-N 0 2 293.326 3.700 20 30 CHEDLN C#CCC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000184987164 264934444 /nfs/dbraw/zinc/93/44/44/264934444.db2.gz CNRMCFHHUAQGKW-UHFFFAOYSA-N 0 2 286.158 3.687 20 30 CHEDLN CCc1cc(C(=O)C(C#N)c2nc(C)cs2)sc1C ZINC000041520921 329565783 /nfs/dbraw/zinc/56/57/83/329565783.db2.gz HVLPJMRLZFZITB-LLVKDONJSA-N 0 2 290.413 3.874 20 30 CHEDLN C=C(Cl)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000272929109 330087420 /nfs/dbraw/zinc/08/74/20/330087420.db2.gz SFKFIHMVTCMUSC-UHFFFAOYSA-N 0 2 299.245 3.647 20 30 CHEDLN CC(Cl)(Cl)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000777294534 1126785511 /nfs/dbraw/zinc/78/55/11/1126785511.db2.gz HOPWAYGENYFOTI-SSDOTTSWSA-N 0 2 299.182 3.666 20 30 CHEDLN CC(Cl)(Cl)C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000777294534 1126785517 /nfs/dbraw/zinc/78/55/17/1126785517.db2.gz HOPWAYGENYFOTI-SSDOTTSWSA-N 0 2 299.182 3.666 20 30 CHEDLN N#C[C@H](C(=O)CC1CC1)c1nc2cc(Cl)ccc2s1 ZINC000917047074 1128469562 /nfs/dbraw/zinc/46/95/62/1128469562.db2.gz QNZKYDJQEWNWSK-SNVBAGLBSA-N 0 2 290.775 3.926 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@H](C)c2ccccc2)n1 ZINC000041521810 1128546597 /nfs/dbraw/zinc/54/65/97/1128546597.db2.gz QQSCGQRJELOZJV-SMDDNHRTSA-N 0 2 284.384 3.822 20 30 CHEDLN N#CC(=C(O)C=C1CCCC1)c1nc2ccccc2o1 ZINC000920115906 1128666090 /nfs/dbraw/zinc/66/60/90/1128666090.db2.gz OPRZXUXOZMEBJX-GFCCVEGCSA-N 0 2 266.300 3.504 20 30 CHEDLN N#CC(C(=O)C=C1CCCC1)c1nc2ccccc2o1 ZINC000920115906 1128666091 /nfs/dbraw/zinc/66/60/91/1128666091.db2.gz OPRZXUXOZMEBJX-GFCCVEGCSA-N 0 2 266.300 3.504 20 30 CHEDLN C=CCCCN(CC)C(=O)c1cc(F)cc(Cl)c1O ZINC000890812579 1118144329 /nfs/dbraw/zinc/14/43/29/1118144329.db2.gz ZIHNMRXCXGWANL-UHFFFAOYSA-N 0 2 285.746 3.613 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)CCc2ccoc2)n1 ZINC000175982708 1118547573 /nfs/dbraw/zinc/54/75/73/1118547573.db2.gz NDOSDHYIUMIQSN-GFCCVEGCSA-N 0 2 288.372 3.669 20 30 CHEDLN C[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)[C@@H]1C ZINC000022727423 1118823072 /nfs/dbraw/zinc/82/30/72/1118823072.db2.gz NMLWONCHPJZJMC-LOXUEPLVSA-N 0 2 276.336 3.544 20 30 CHEDLN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000617041804 1128813084 /nfs/dbraw/zinc/81/30/84/1128813084.db2.gz JCNHDAQQHPFPRE-IINYFYTJSA-N 0 2 295.329 3.535 20 30 CHEDLN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3o2)c1C ZINC000041545683 1120283636 /nfs/dbraw/zinc/28/36/36/1120283636.db2.gz MJIQXYFKDQZEHW-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1ccccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000041545862 1120283834 /nfs/dbraw/zinc/28/38/34/1120283834.db2.gz LUJBIGBAWINOSL-ZDUSSCGKSA-N 0 2 276.295 3.626 20 30 CHEDLN CCOc1cc(NC2=C(C#N)C(=O)CS2)ccc1F ZINC001175049594 1121159665 /nfs/dbraw/zinc/15/96/65/1121159665.db2.gz FWUANRSDQFXTHV-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN C=CCC1(CNC(=O)c2cccc(Cl)c2O)CCCC1 ZINC001128862019 1121192013 /nfs/dbraw/zinc/19/20/13/1121192013.db2.gz JXLAKCQXGIQQMF-UHFFFAOYSA-N 0 2 293.794 3.912 20 30 CHEDLN CCOc1cccc(NC2=C(C#N)C(=O)CS2)c1F ZINC001175240639 1121241305 /nfs/dbraw/zinc/24/13/05/1121241305.db2.gz RRVROOXXFLFXNQ-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN CC(C)(C)c1noc(Nc2c(F)ccc(O)c2F)c1C#N ZINC001175263643 1121267230 /nfs/dbraw/zinc/26/72/30/1121267230.db2.gz ODPODZABXLKTEI-UHFFFAOYSA-N 0 2 293.273 3.571 20 30 CHEDLN N#CC1=C(Nc2c(F)cc(F)c(F)c2F)SCC1=O ZINC001176349193 1121611572 /nfs/dbraw/zinc/61/15/72/1121611572.db2.gz FQVKRLFVUHFAGL-UHFFFAOYSA-N 0 2 288.225 3.625 20 30 CHEDLN CC[C@@H](Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000727781583 1121740165 /nfs/dbraw/zinc/74/01/65/1121740165.db2.gz QVXJQQKMSVXFJA-BRFSQIRFSA-N 0 2 298.342 3.741 20 30 CHEDLN Cc1c(NC2=C(C#N)C(=O)CS2)cnn1-c1ccccc1 ZINC001201368960 1123088169 /nfs/dbraw/zinc/08/81/69/1123088169.db2.gz SMCKBJSTORVWBW-UHFFFAOYSA-N 0 2 296.355 3.563 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)C(C)C)n1 ZINC000080460281 1129101428 /nfs/dbraw/zinc/10/14/28/1129101428.db2.gz NWMLTVICRFYMBS-MNOVXSKESA-N 0 2 264.394 3.735 20 30 CHEDLN C=CCOc1ccccc1C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000041515990 1123590915 /nfs/dbraw/zinc/59/09/15/1123590915.db2.gz MTMACNMCLUTTDR-ZDUSSCGKSA-N 0 2 298.367 3.506 20 30 CHEDLN C=CCOc1ccccc1C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000041515992 1123590981 /nfs/dbraw/zinc/59/09/81/1123590981.db2.gz MTMACNMCLUTTDR-CYBMUJFWSA-N 0 2 298.367 3.506 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1C ZINC000041545220 1123592233 /nfs/dbraw/zinc/59/22/33/1123592233.db2.gz AJKGUHYOGIHLCQ-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1C ZINC000041545220 1123592237 /nfs/dbraw/zinc/59/22/37/1123592237.db2.gz AJKGUHYOGIHLCQ-CQSZACIVSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC2CCC(F)(F)CC2)n1 ZINC000860450199 1123733098 /nfs/dbraw/zinc/73/30/98/1123733098.db2.gz OKQXRKDUKCIZTE-LLVKDONJSA-N 0 2 298.358 3.843 20 30 CHEDLN N#C[C@H](C(=O)CCC1CC1)c1nc2ccccc2s1 ZINC000734706055 1129318026 /nfs/dbraw/zinc/31/80/26/1129318026.db2.gz NGSZOPAIYSNIQQ-LLVKDONJSA-N 0 2 270.357 3.663 20 30 CHEDLN CC1(C)CCC(/N=C/c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000741466617 1129436739 /nfs/dbraw/zinc/43/67/39/1129436739.db2.gz YDULDAZBYNXWDA-MHWRWJLKSA-N 0 2 276.336 3.688 20 30 CHEDLN C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000741466475 1129437089 /nfs/dbraw/zinc/43/70/89/1129437089.db2.gz SRXSBSNFVLSHLD-HPUUJOOBSA-N 0 2 276.336 3.688 20 30 CHEDLN CC[C@H](C)C[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000743041706 1129511367 /nfs/dbraw/zinc/51/13/67/1129511367.db2.gz BZWAIPJRHFAIFJ-FPQVCSMYSA-N 0 2 264.325 3.544 20 30 CHEDLN CC[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000743340836 1129519771 /nfs/dbraw/zinc/51/97/71/1129519771.db2.gz LTYXEMVHKWAYLO-CYUIRQCWSA-N 0 2 298.342 3.913 20 30 CHEDLN N#C[C@@H](C(=O)CC1CCC1)c1nc2ccccc2s1 ZINC000744016646 1129545307 /nfs/dbraw/zinc/54/53/07/1129545307.db2.gz QJARIHADTIUCKK-NSHDSACASA-N 0 2 270.357 3.663 20 30 CHEDLN Cc1cc(/C=C/C(=O)c2cc(F)ccc2O)ccc1C#N ZINC000766492099 1129670374 /nfs/dbraw/zinc/67/03/74/1129670374.db2.gz UZYGWXBTACVXKN-ZZXKWVIFSA-N 0 2 281.286 3.608 20 30 CHEDLN N#Cc1ccc(Nc2ccc(Cl)c(O)c2)c(C#N)c1 ZINC001212595369 1129756652 /nfs/dbraw/zinc/75/66/52/1129756652.db2.gz PYPJEVDKWQYCIS-UHFFFAOYSA-N 0 2 269.691 3.533 20 30 CHEDLN C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000800790075 1129887418 /nfs/dbraw/zinc/88/74/18/1129887418.db2.gz BEKDMYGOKVTGQO-DUJAKZANSA-N 0 2 276.317 3.542 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c(O)c1 ZINC000770572143 1129951077 /nfs/dbraw/zinc/95/10/77/1129951077.db2.gz MHHUMGUMQCYJPY-QPJJXVBHSA-N 0 2 281.286 3.608 20 30 CHEDLN CC[C@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1O ZINC000790180847 1130294270 /nfs/dbraw/zinc/29/42/70/1130294270.db2.gz BBTFHGLSAAWQSD-ZETCQYMHSA-N 0 2 275.179 3.811 20 30 CHEDLN CCc1cnc(/C=C\C(=O)c2cc(Cl)ccc2O)s1 ZINC000783710646 1130851427 /nfs/dbraw/zinc/85/14/27/1130851427.db2.gz KYZZUMPIIIDDFE-WAYWQWQTSA-N 0 2 293.775 3.961 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000797547059 1130991908 /nfs/dbraw/zinc/99/19/08/1130991908.db2.gz CTGKTCLITGPJJV-PMOUVXMZSA-N 0 2 296.395 3.678 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000797547059 1130991911 /nfs/dbraw/zinc/99/19/11/1130991911.db2.gz CTGKTCLITGPJJV-PMOUVXMZSA-N 0 2 296.395 3.678 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)C(C)(C)C)n1 ZINC000815897775 1131030552 /nfs/dbraw/zinc/03/05/52/1131030552.db2.gz GVEQIGQIDHLTKL-JTQLQIEISA-N 0 2 264.394 3.700 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C(C)(C)C(C)(C)C)n1 ZINC000815897775 1131030560 /nfs/dbraw/zinc/03/05/60/1131030560.db2.gz GVEQIGQIDHLTKL-JTQLQIEISA-N 0 2 264.394 3.700 20 30 CHEDLN C=CCC(F)(F)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000815893464 1131031362 /nfs/dbraw/zinc/03/13/62/1131031362.db2.gz GLTXSTHPHUFLOX-UHFFFAOYSA-N 0 2 296.100 3.849 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc(C2CC2)cs1 ZINC000845614505 1131648945 /nfs/dbraw/zinc/64/89/45/1131648945.db2.gz KEAYTJXZCJRCMC-YNEHKIRRSA-N 0 2 286.400 3.633 20 30 CHEDLN N#CC1=C(Nc2cccc(Cl)c2F)SCC1=O ZINC001203034395 1131720684 /nfs/dbraw/zinc/72/06/84/1131720684.db2.gz IANXAPMZGSVDRU-UHFFFAOYSA-N 0 2 268.700 3.861 20 30 CHEDLN N#C[C@H](C(=O)CCc1ccccc1)c1nc(C2CC2)cs1 ZINC000842936483 1132478848 /nfs/dbraw/zinc/47/88/48/1132478848.db2.gz AYKCBWYLGJRXKR-CQSZACIVSA-N 0 2 296.395 3.830 20 30 CHEDLN CCCC1CCC(Oc2[nH]c(=O)cc(C)c2C#N)CC1 ZINC001233915314 1132697014 /nfs/dbraw/zinc/69/70/14/1132697014.db2.gz IEIVMGOMZJKKRM-UHFFFAOYSA-N 0 2 274.364 3.705 20 30 CHEDLN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919467 1132697989 /nfs/dbraw/zinc/69/79/89/1132697989.db2.gz TZSCTKBPBBSXGE-WHOFXGATSA-N 0 2 286.375 3.727 20 30 CHEDLN CC[C@H](C)CC[C@H](C)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919277 1132698319 /nfs/dbraw/zinc/69/83/19/1132698319.db2.gz DJMCBYZBZKEROU-JQWIXIFHSA-N 0 2 262.353 3.561 20 30 CHEDLN Cc1c(F)c(F)ccc1NC1=C(C#N)C(=O)CS1 ZINC001210130381 1134154158 /nfs/dbraw/zinc/15/41/58/1134154158.db2.gz PNXHDANURCLFNJ-UHFFFAOYSA-N 0 2 266.272 3.656 20 30 CHEDLN N#Cc1cccc(C#N)c1Nc1cccc(O)c1Cl ZINC001210854433 1134313798 /nfs/dbraw/zinc/31/37/98/1134313798.db2.gz WNERSQVJWUKSJE-UHFFFAOYSA-N 0 2 269.691 3.533 20 30 CHEDLN N#CC1=C(Nc2cc(C(F)(F)F)ccc2N)SCC1=O ZINC001211149485 1134381138 /nfs/dbraw/zinc/38/11/38/1134381138.db2.gz DQBNXSGWOKAGNK-UHFFFAOYSA-N 0 2 299.277 3.670 20 30 CHEDLN N#CC1=C(Nc2ccc(OCC(F)F)cc2)SCC1=O ZINC001213303527 1134440031 /nfs/dbraw/zinc/44/00/31/1134440031.db2.gz ZDMHWIQIKUAVFA-UHFFFAOYSA-N 0 2 296.298 3.713 20 30 CHEDLN CCCOc1ccc(NC2=C(C#N)C(=O)CS2)c(F)c1 ZINC001215488853 1134632648 /nfs/dbraw/zinc/63/26/48/1134632648.db2.gz LEBWKVOTPZKNOI-UHFFFAOYSA-N 0 2 292.335 3.997 20 30 CHEDLN CN(C)c1ccc(NC2=C(C#N)C(=O)CS2)cc1Cl ZINC001216058438 1134763501 /nfs/dbraw/zinc/76/35/01/1134763501.db2.gz HJMBTVMSIPNZHG-UHFFFAOYSA-N 0 2 293.779 3.788 20 30 CHEDLN CCc1cc(NC2=C(C#N)C(=O)CS2)ccc1C#N ZINC001216315659 1134848749 /nfs/dbraw/zinc/84/87/49/1134848749.db2.gz ACTQKEYOXXDPGJ-UHFFFAOYSA-N 0 2 269.329 3.503 20 30 CHEDLN N#Cc1cccc(-c2noc(-c3c(O)cccc3Cl)n2)c1 ZINC001216522055 1134914573 /nfs/dbraw/zinc/91/45/73/1134914573.db2.gz CMKHTKUTXJTWEK-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2ccc(C(C)(C)C)cn2)n1 ZINC000422122053 330125565 /nfs/dbraw/zinc/12/55/65/330125565.db2.gz PIJZJSRRXGWRLN-LBPRGKRZSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)c[nH+]2)n1 ZINC000422122053 330125566 /nfs/dbraw/zinc/12/55/66/330125566.db2.gz PIJZJSRRXGWRLN-LBPRGKRZSA-N 0 2 299.399 3.634 20 30 CHEDLN C#CCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000768370517 1129854503 /nfs/dbraw/zinc/85/45/03/1129854503.db2.gz KIMDFYXOKVRFNB-UHFFFAOYSA-N 0 2 286.158 3.687 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(CC(C)C)CCC2)n1 ZINC000151039608 1127120387 /nfs/dbraw/zinc/12/03/87/1127120387.db2.gz YFLDIXDZGOXFPQ-LBPRGKRZSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2(CC(C)C)CCC2)n1 ZINC000151039608 1127120393 /nfs/dbraw/zinc/12/03/93/1127120393.db2.gz YFLDIXDZGOXFPQ-LBPRGKRZSA-N 0 2 276.405 3.844 20 30 CHEDLN N#C[C@H](C(=O)C1=CCCC1)c1nc2ccccc2s1 ZINC000761000484 1127361903 /nfs/dbraw/zinc/36/19/03/1127361903.db2.gz CUYASIFZNOUHBY-LLVKDONJSA-N 0 2 268.341 3.583 20 30 CHEDLN N#CC(=C(O)C1=CCCC1)c1nc2ccccc2s1 ZINC000761000484 1127361906 /nfs/dbraw/zinc/36/19/06/1127361906.db2.gz CUYASIFZNOUHBY-LLVKDONJSA-N 0 2 268.341 3.583 20 30 CHEDLN C=CCC[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000291275091 1127414818 /nfs/dbraw/zinc/41/48/18/1127414818.db2.gz LRPNNNOTLFKTGJ-VXGBXAGGSA-N 0 2 289.272 3.711 20 30 CHEDLN C=CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 ZINC000291275091 1127414821 /nfs/dbraw/zinc/41/48/21/1127414821.db2.gz LRPNNNOTLFKTGJ-VXGBXAGGSA-N 0 2 289.272 3.711 20 30 CHEDLN Cc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000917559271 1128505892 /nfs/dbraw/zinc/50/58/92/1128505892.db2.gz JGIFLRVOAQAIGK-HJPCULJESA-N 0 2 284.315 3.789 20 30 CHEDLN N#CC(C(=O)C=Cc1ccsc1)c1nc2ccccc2o1 ZINC000920115539 1128666189 /nfs/dbraw/zinc/66/61/89/1128666189.db2.gz GSAAQZMYNJJGMR-FJOGCWAESA-N 0 2 294.335 3.779 20 30 CHEDLN Cc1ccccc1[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000920943865 1128695691 /nfs/dbraw/zinc/69/56/91/1128695691.db2.gz BVBFYZWDVSDKDS-NJPLLEPOSA-N 0 2 284.315 3.789 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC2CCCCCC2)n1 ZINC000175081475 1128715792 /nfs/dbraw/zinc/71/57/92/1128715792.db2.gz KWUTURCMWOPOBL-CYBMUJFWSA-N 0 2 276.405 3.988 20 30 CHEDLN Cc1ccc(C)c(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000748146516 1118374767 /nfs/dbraw/zinc/37/47/67/1118374767.db2.gz JCZUQTNIDIDOTM-VURMDHGXSA-N 0 2 297.310 3.813 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@H](C)c2cccc(F)c2)n1 ZINC000076763635 1128788588 /nfs/dbraw/zinc/78/85/88/1128788588.db2.gz GOHQIOHEMRRFBJ-MFKMUULPSA-N 0 2 288.347 3.571 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)n1 ZINC000076763635 1128788591 /nfs/dbraw/zinc/78/85/91/1128788591.db2.gz GOHQIOHEMRRFBJ-MFKMUULPSA-N 0 2 288.347 3.571 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccoc2)s1 ZINC000430614942 1118623274 /nfs/dbraw/zinc/62/32/74/1118623274.db2.gz ANUFVTWGHBYVPE-SNVBAGLBSA-N 0 2 274.345 3.524 20 30 CHEDLN O=C(/C=C\c1ccc(O)cc1)c1ccc(O)c(Cl)c1 ZINC000588480357 1118910667 /nfs/dbraw/zinc/91/06/67/1118910667.db2.gz SVIOMHKNZCHFOE-CLTKARDFSA-N 0 2 274.703 3.647 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2cscc2C(F)F)n1 ZINC000892418119 1119659112 /nfs/dbraw/zinc/65/91/12/1119659112.db2.gz OZBKDYHIPJWFAT-ZETCQYMHSA-N 0 2 298.339 3.941 20 30 CHEDLN Cc1sccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647380120 1119712075 /nfs/dbraw/zinc/71/20/75/1119712075.db2.gz LWASGCMGQBTYMO-NSHDSACASA-N 0 2 288.397 3.881 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)Cc2ccsc2)n1 ZINC000177757453 1119854805 /nfs/dbraw/zinc/85/48/05/1119854805.db2.gz URJJFQDPKGRCIU-LLVKDONJSA-N 0 2 290.413 3.747 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)Cc2ccsc2)n1 ZINC000177757453 1119854798 /nfs/dbraw/zinc/85/47/98/1119854798.db2.gz URJJFQDPKGRCIU-LLVKDONJSA-N 0 2 290.413 3.747 20 30 CHEDLN O=C(/C=C/c1cccnc1Cl)c1ccc(O)c(Cl)c1 ZINC000119262168 1120195979 /nfs/dbraw/zinc/19/59/79/1120195979.db2.gz KQTAIIJTVRQVHL-HWKANZROSA-N 0 2 294.137 3.990 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(C)CCC(C)CC2)n1 ZINC001523761374 1128913085 /nfs/dbraw/zinc/91/30/85/1128913085.db2.gz OZCBZWOACHSFEU-JYHUIVOISA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2(C)CCC(C)CC2)n1 ZINC001523761374 1128913089 /nfs/dbraw/zinc/91/30/89/1128913089.db2.gz OZCBZWOACHSFEU-JYHUIVOISA-N 0 2 276.405 3.844 20 30 CHEDLN N#CC(C(=O)[C@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812652 1120548910 /nfs/dbraw/zinc/54/89/10/1120548910.db2.gz CBMUYJHUSKOUPQ-GHMZBOCLSA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812652 1120548917 /nfs/dbraw/zinc/54/89/17/1120548917.db2.gz CBMUYJHUSKOUPQ-GHMZBOCLSA-N 0 2 282.368 3.663 20 30 CHEDLN Cc1ccc2c(c1)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000730146972 1121794322 /nfs/dbraw/zinc/79/43/22/1121794322.db2.gz IYGCHKQNVBNJRL-LTKMBJGESA-N 0 2 296.326 3.715 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCC3(CC3)C2)n1 ZINC000850737070 1123297195 /nfs/dbraw/zinc/29/71/95/1123297195.db2.gz QERCSIROGDCBDV-NEPJUHHUSA-N 0 2 274.389 3.598 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)n1 ZINC000528966883 1124862690 /nfs/dbraw/zinc/86/26/90/1124862690.db2.gz OHBPSUAIHSOFQA-WGEPELCKSA-N 0 2 288.416 3.735 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)c2cccs2)n1 ZINC000177775292 1125279867 /nfs/dbraw/zinc/27/98/67/1125279867.db2.gz YYKCPLGDUHSTCS-VIFPVBQESA-N 0 2 276.386 3.818 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)c2cccs2)n1 ZINC000177775292 1125279868 /nfs/dbraw/zinc/27/98/68/1125279868.db2.gz YYKCPLGDUHSTCS-VIFPVBQESA-N 0 2 276.386 3.818 20 30 CHEDLN N#C[C@@H](C(=O)c1cc2cc(Cl)ccc2o1)c1ccccn1 ZINC000041492816 1125433835 /nfs/dbraw/zinc/43/38/35/1125433835.db2.gz QPUVSANPLLNAEN-GFCCVEGCSA-N 0 2 296.713 3.971 20 30 CHEDLN C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000741466477 1129436826 /nfs/dbraw/zinc/43/68/26/1129436826.db2.gz SRXSBSNFVLSHLD-YAFRSCOQSA-N 0 2 276.336 3.688 20 30 CHEDLN CCc1cnc(/C=C/C(=O)c2ccc(O)c(Cl)c2)s1 ZINC000768759039 1129872274 /nfs/dbraw/zinc/87/22/74/1129872274.db2.gz WNZMSHBGOGNZMO-AATRIKPKSA-N 0 2 293.775 3.961 20 30 CHEDLN CC(=NNc1cc(F)c(F)c(F)c1)c1sccc1O ZINC000769791722 1129925556 /nfs/dbraw/zinc/92/55/56/1129925556.db2.gz SBHIKRPRKCHOLX-UHFFFAOYSA-N 0 2 286.278 3.707 20 30 CHEDLN Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3C)n2)cc1 ZINC000786449819 1130097014 /nfs/dbraw/zinc/09/70/14/1130097014.db2.gz VZMRXJVLDNHMEX-MRVWCRGKSA-N 0 2 296.395 3.951 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CC2(C)C)s1 ZINC000797568412 1130993939 /nfs/dbraw/zinc/99/39/39/1130993939.db2.gz RIQJQFXEXUULAL-VHSXEESVSA-N 0 2 276.405 3.663 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\CCCCc2ccccc2)c1 ZINC000798068800 1131023363 /nfs/dbraw/zinc/02/33/63/1131023363.db2.gz XEFUQOWQWMBWAM-AQTBWJFISA-N 0 2 298.342 3.742 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C2CCC(C(F)F)CC2)c1 ZINC000840710561 1132274723 /nfs/dbraw/zinc/27/47/23/1132274723.db2.gz KEGHLVJZJVDWHD-IUXPMGMMSA-N 0 2 298.289 3.543 20 30 CHEDLN N#C[C@@H](C(=O)C[C@H]1C=CCC1)c1nc(C2CC2)cs1 ZINC000842938626 1132478866 /nfs/dbraw/zinc/47/88/66/1132478866.db2.gz OFURQHAQCZTVKV-JQWIXIFHSA-N 0 2 272.373 3.553 20 30 CHEDLN N#CC(=C(O)C=C1CCCC1)c1nc(C2CC2)cs1 ZINC000842943241 1132480554 /nfs/dbraw/zinc/48/05/54/1132480554.db2.gz UCGSLVOGTOJJNV-GFCCVEGCSA-N 0 2 272.373 3.697 20 30 CHEDLN C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)cc(C)c2C#N)C1 ZINC001233915711 1132696957 /nfs/dbraw/zinc/69/69/57/1132696957.db2.gz YSOLCMHCPPQURE-ZFWWWQNUSA-N 0 2 284.359 3.647 20 30 CHEDLN C=C[C@@H](CCCCCC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919364 1132698744 /nfs/dbraw/zinc/69/87/44/1132698744.db2.gz KZUFWRPFXOSWBG-ZDUSSCGKSA-N 0 2 274.364 3.871 20 30 CHEDLN N#Cc1ccc2ccnc(-c3cc(F)c(O)cc3F)c2c1 ZINC001206754897 1133742751 /nfs/dbraw/zinc/74/27/51/1133742751.db2.gz AJNMZNUEBCEHMV-UHFFFAOYSA-N 0 2 282.249 3.757 20 30 CHEDLN CO[C@H](C)c1cccc(NC2=C(C#N)C(=O)CS2)c1 ZINC001209946593 1134106877 /nfs/dbraw/zinc/10/68/77/1134106877.db2.gz DSZYBDIWOAOMOW-SECBINFHSA-N 0 2 274.345 3.776 20 30 CHEDLN COc1ccc(Nc2ccc(Cl)c(O)c2F)c(C#N)c1 ZINC001214799179 1134575518 /nfs/dbraw/zinc/57/55/18/1134575518.db2.gz OYARXTHXXCCQPE-UHFFFAOYSA-N 0 2 292.697 3.809 20 30 CHEDLN Cc1cc(C#N)cc(C)c1Nc1noc(C(C)(C)C)n1 ZINC001215645663 1134655522 /nfs/dbraw/zinc/65/55/22/1134655522.db2.gz UHVBHDYXAKKQKK-UHFFFAOYSA-N 0 2 270.336 3.599 20 30 CHEDLN N#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000271280648 328196154 /nfs/dbraw/zinc/19/61/54/328196154.db2.gz KRRXNEQVMFMWLP-UHFFFAOYSA-N 0 2 299.157 3.721 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)s2)n1 ZINC000048520368 328309571 /nfs/dbraw/zinc/30/95/71/328309571.db2.gz IKYFPIKFTZUJKT-SSDOTTSWSA-N 0 2 282.777 3.657 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2ccc(Cl)s2)n1 ZINC000048520368 328309573 /nfs/dbraw/zinc/30/95/73/328309573.db2.gz IKYFPIKFTZUJKT-SSDOTTSWSA-N 0 2 282.777 3.657 20 30 CHEDLN C=CCC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccco1 ZINC000276507402 330114316 /nfs/dbraw/zinc/11/43/16/330114316.db2.gz YRLZSXHZCTUIPE-MRXNPFEDSA-N 0 2 295.386 3.767 20 30 CHEDLN CCCc1sc(C(=O)[C@@H](C#N)c2ccncn2)cc1CC ZINC000354461827 528805851 /nfs/dbraw/zinc/80/58/51/528805851.db2.gz GORBPXKGFGBVLS-LBPRGKRZSA-N 0 2 299.399 3.543 20 30 CHEDLN CCCc1sc(C(=O)C(C#N)c2ccncn2)cc1CC ZINC000354461827 528805854 /nfs/dbraw/zinc/80/58/54/528805854.db2.gz GORBPXKGFGBVLS-LBPRGKRZSA-N 0 2 299.399 3.543 20 30 CHEDLN C=CCC[C@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1ccccc1 ZINC001588778710 984162588 /nfs/dbraw/zinc/16/25/88/984162588.db2.gz JPBCSWAEDIEVNO-INIZCTEOSA-N 0 2 296.370 3.828 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2CCCCCC2)n1 ZINC000102115455 1122881999 /nfs/dbraw/zinc/88/19/99/1122881999.db2.gz WBZROILROUJMTO-LBPRGKRZSA-N 0 2 262.378 3.598 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2=CCC(C)(C)CC2)n1 ZINC000835038082 1131762564 /nfs/dbraw/zinc/76/25/64/1131762564.db2.gz UGPVEICYOIHTPU-LBPRGKRZSA-N 0 2 274.389 3.764 20 30 CHEDLN N#Cc1ccccc1Nc1ccc(Cl)c(O)c1F ZINC001214799045 1134574557 /nfs/dbraw/zinc/57/45/57/1134574557.db2.gz JMJAGBAKUBYRLZ-UHFFFAOYSA-N 0 2 262.671 3.800 20 30 CHEDLN N#C[C@@H](C(=O)c1ccoc1)c1nc2cc(F)ccc2s1 ZINC000592974171 1127363717 /nfs/dbraw/zinc/36/37/17/1127363717.db2.gz PEDJNYNVGKIUMB-JTQLQIEISA-N 0 2 286.287 3.518 20 30 CHEDLN N#Cc1cccc(C(=O)C(C#N)c2nccc3ccccc32)c1 ZINC000361540610 1127570894 /nfs/dbraw/zinc/57/08/94/1127570894.db2.gz JRVCQASWYJSJKD-QGZVFWFLSA-N 0 2 297.317 3.597 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Cl)c(F)c2)c1 ZINC000915982872 1128400764 /nfs/dbraw/zinc/40/07/64/1128400764.db2.gz GJPUJGQYDILOOJ-UHFFFAOYSA-N 0 2 294.669 3.844 20 30 CHEDLN N#CC(C(=O)C1CCC1)c1nc2cc(Cl)ccc2s1 ZINC000917045097 1128469136 /nfs/dbraw/zinc/46/91/36/1128469136.db2.gz XHOMIGMCIJDFNC-SNVBAGLBSA-N 0 2 290.775 3.926 20 30 CHEDLN N#C[C@H](C(=O)C1CCC1)c1nc2cc(Cl)ccc2s1 ZINC000917045097 1128469138 /nfs/dbraw/zinc/46/91/38/1128469138.db2.gz XHOMIGMCIJDFNC-SNVBAGLBSA-N 0 2 290.775 3.926 20 30 CHEDLN N#CC(C(=O)CC1CCCCC1)c1nc2ccccc2o1 ZINC000041547845 1128547504 /nfs/dbraw/zinc/54/75/04/1128547504.db2.gz JEWSVJJKQLUWDX-ZDUSSCGKSA-N 0 2 282.343 3.974 20 30 CHEDLN N#CC(C(=O)CCC1CCCC1)c1nc2ccccc2o1 ZINC000041545752 1128547540 /nfs/dbraw/zinc/54/75/40/1128547540.db2.gz USYWHJRPHZBFLG-ZDUSSCGKSA-N 0 2 282.343 3.974 20 30 CHEDLN C=C(C)C[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710567 1117899995 /nfs/dbraw/zinc/89/99/95/1117899995.db2.gz VDFSQMQCSJMBMN-SNVBAGLBSA-N 0 2 263.772 3.785 20 30 CHEDLN C=CCCC[C@@H](C)OC(=O)c1cc(F)c(O)c(F)c1 ZINC000765487045 1118155176 /nfs/dbraw/zinc/15/51/76/1118155176.db2.gz OUIDVPOVEBMAMY-SECBINFHSA-N 0 2 270.275 3.572 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000255078447 1118189373 /nfs/dbraw/zinc/18/93/73/1118189373.db2.gz FXWHJCYQVOVPGU-UITAMQMPSA-N 0 2 283.283 3.505 20 30 CHEDLN N#Cc1ccc(Cl)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210400744 1118275055 /nfs/dbraw/zinc/27/50/55/1118275055.db2.gz KYXGMGQBSQMEAQ-UHFFFAOYSA-N 0 2 289.678 3.569 20 30 CHEDLN O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccccc1O ZINC000255306418 1118594444 /nfs/dbraw/zinc/59/44/44/1118594444.db2.gz JZROLQJDPNXUGU-ALCCZGGFSA-N 0 2 274.703 3.647 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000255332731 1118641362 /nfs/dbraw/zinc/64/13/62/1118641362.db2.gz LTQRCLAXWLPHPR-XQRVVYSFSA-N 0 2 289.312 3.566 20 30 CHEDLN O=C(/C=C\c1cccnc1Cl)c1ccc(O)c(Cl)c1 ZINC000588480267 1118910466 /nfs/dbraw/zinc/91/04/66/1118910466.db2.gz KQTAIIJTVRQVHL-HYXAFXHYSA-N 0 2 294.137 3.990 20 30 CHEDLN Cc1ncccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 ZINC000588480342 1118910843 /nfs/dbraw/zinc/91/08/43/1118910843.db2.gz LUSOVUNWNOVHSG-XQRVVYSFSA-N 0 2 273.719 3.645 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2cscc2C(F)F)n1 ZINC000892418113 1119659168 /nfs/dbraw/zinc/65/91/68/1119659168.db2.gz OZBKDYHIPJWFAT-SSDOTTSWSA-N 0 2 298.339 3.941 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2=CCCCCC2)n1 ZINC000122662622 1120221695 /nfs/dbraw/zinc/22/16/95/1120221695.db2.gz QDPXTSUDZATVHA-LBPRGKRZSA-N 0 2 260.362 3.518 20 30 CHEDLN Cc1csc(C(C#N)=C(O)C2=CCCCCC2)n1 ZINC000122662622 1120221697 /nfs/dbraw/zinc/22/16/97/1120221697.db2.gz QDPXTSUDZATVHA-LBPRGKRZSA-N 0 2 260.362 3.518 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C2(C)CCC(C)CC2)n1 ZINC001523761381 1128913344 /nfs/dbraw/zinc/91/33/44/1128913344.db2.gz OZCBZWOACHSFEU-WBFHCKIUSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2(C)CCC(C)CC2)n1 ZINC001523761381 1128913347 /nfs/dbraw/zinc/91/33/47/1128913347.db2.gz OZCBZWOACHSFEU-WBFHCKIUSA-N 0 2 276.405 3.844 20 30 CHEDLN CC(C)Oc1cccc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001211775208 1121581114 /nfs/dbraw/zinc/58/11/14/1121581114.db2.gz JCDDIQBOYZHGSH-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN CCCOc1cccc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001211785872 1121590606 /nfs/dbraw/zinc/59/06/06/1121590606.db2.gz NVZVQUBLSVKCDX-UHFFFAOYSA-N 0 2 292.335 3.997 20 30 CHEDLN N#CC(C(=O)C1CCCC1)c1nc2cc(F)ccc2s1 ZINC000730421775 1121807909 /nfs/dbraw/zinc/80/79/09/1121807909.db2.gz PJRNGIRLNQYBMC-LLVKDONJSA-N 0 2 288.347 3.802 20 30 CHEDLN N#C[C@H](C(=O)C1CCCC1)c1nc2cc(F)ccc2s1 ZINC000730421775 1121807916 /nfs/dbraw/zinc/80/79/16/1121807916.db2.gz PJRNGIRLNQYBMC-LLVKDONJSA-N 0 2 288.347 3.802 20 30 CHEDLN C[C@@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1 ZINC000733081220 1121957154 /nfs/dbraw/zinc/95/71/54/1121957154.db2.gz RGQGDJYWDWDXIZ-GOPYKCFCSA-N 0 2 276.336 3.544 20 30 CHEDLN CCOc1cc(NC2=C(C#N)C(=O)CS2)c(Cl)cn1 ZINC001250211376 1122360493 /nfs/dbraw/zinc/36/04/93/1122360493.db2.gz AZYOJAPTDBUQQT-UHFFFAOYSA-N 0 2 295.751 3.516 20 30 CHEDLN C#Cc1cccc(N(CC)C(=O)c2cccc(Cl)c2O)c1 ZINC000775713346 1122919076 /nfs/dbraw/zinc/91/90/76/1122919076.db2.gz IQTQNEYHXISRES-UHFFFAOYSA-N 0 2 299.757 3.694 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)C(C)C)n1 ZINC000080460277 1129101355 /nfs/dbraw/zinc/10/13/55/1129101355.db2.gz NWMLTVICRFYMBS-WDEREUQCSA-N 0 2 264.394 3.735 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2CC3(C2)CCCCC3)n1 ZINC000850735644 1123297372 /nfs/dbraw/zinc/29/73/72/1123297372.db2.gz AXMAWEJVECHMOI-ZDUSSCGKSA-N 0 2 288.416 3.988 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)s1 ZINC000851006952 1123316280 /nfs/dbraw/zinc/31/62/80/1123316280.db2.gz HAECIDFIBNWIOJ-QCNOEVLYSA-N 0 2 288.416 3.663 20 30 CHEDLN N#CC(=C(O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381392 1131313058 /nfs/dbraw/zinc/31/30/58/1131313058.db2.gz ICIHQHFHIZWIKC-YBJDMEARSA-N 0 2 290.313 3.673 20 30 CHEDLN N#CC(C(=O)C=CC1CCCCC1)c1ncc(F)cc1F ZINC001123381392 1131313062 /nfs/dbraw/zinc/31/30/62/1131313062.db2.gz ICIHQHFHIZWIKC-YBJDMEARSA-N 0 2 290.313 3.673 20 30 CHEDLN N#C[C@@H](C(=O)c1ccoc1)c1nc(-c2ccccc2)cs1 ZINC000041533421 1125434152 /nfs/dbraw/zinc/43/41/52/1125434152.db2.gz ZHIHOFJODPTSAZ-ZDUSSCGKSA-N 0 2 294.335 3.893 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000246422150 1129276922 /nfs/dbraw/zinc/27/69/22/1129276922.db2.gz GCQKZNBPFIAJMN-CZXHOFHRSA-N 0 2 288.416 3.879 20 30 CHEDLN N#C[C@H](C(=O)CCC1CC1)c1nc2cc(F)ccc2s1 ZINC000734713418 1129319235 /nfs/dbraw/zinc/31/92/35/1129319235.db2.gz NPNIKJIKTFLWAV-LLVKDONJSA-N 0 2 288.347 3.802 20 30 CHEDLN CCC(=NNCC(F)F)c1cc(Cl)cc(Cl)c1O ZINC000740617152 1129415492 /nfs/dbraw/zinc/41/54/92/1129415492.db2.gz CTOHCZCMUNREDR-UHFFFAOYSA-N 0 2 297.132 3.668 20 30 CHEDLN N#C[C@H](C(=O)CC1CCC1)c1nc2ccccc2s1 ZINC000744016645 1129545199 /nfs/dbraw/zinc/54/51/99/1129545199.db2.gz QJARIHADTIUCKK-LLVKDONJSA-N 0 2 270.357 3.663 20 30 CHEDLN N#C[C@@H](C(=O)CCC(F)(F)F)c1nc2ccccc2s1 ZINC000744016347 1129545353 /nfs/dbraw/zinc/54/53/53/1129545353.db2.gz LERFEPWEOKRVPY-QMMMGPOBSA-N 0 2 298.289 3.815 20 30 CHEDLN N#Cc1ncc(-c2cccc(Cl)c2O)cc1C(F)(F)F ZINC001242365882 1129797259 /nfs/dbraw/zinc/79/72/59/1129797259.db2.gz AIYBLGOYTWXNEC-UHFFFAOYSA-N 0 2 298.651 3.998 20 30 CHEDLN Cc1ccc(F)c(N=NC(C)C2SC=CC2=O)c1 ZINC000769794959 1129925366 /nfs/dbraw/zinc/92/53/66/1129925366.db2.gz ZWXROKHCEYYLEA-UHFFFAOYSA-N 0 2 264.325 3.737 20 30 CHEDLN CC(=NNc1cc(C)ccc1F)c1sccc1O ZINC000769794959 1129925370 /nfs/dbraw/zinc/92/53/70/1129925370.db2.gz ZWXROKHCEYYLEA-UHFFFAOYSA-N 0 2 264.325 3.737 20 30 CHEDLN C=CCC[C@H](CC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234822403 1130679030 /nfs/dbraw/zinc/67/90/30/1130679030.db2.gz WNCADOPNLPAYKV-ZDUSSCGKSA-N 0 2 288.343 3.931 20 30 CHEDLN N#Cc1cc2cc(-c3c(F)cc(F)c(O)c3F)ccc2[nH]1 ZINC001235995933 1130825332 /nfs/dbraw/zinc/82/53/32/1130825332.db2.gz IEELEPVTFUZVER-UHFFFAOYSA-N 0 2 288.228 3.829 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC23CCC3)s1 ZINC000797571433 1130993580 /nfs/dbraw/zinc/99/35/80/1130993580.db2.gz RHJTWWSATJIPLE-GHMZBOCLSA-N 0 2 288.416 3.807 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000797785132 1131002206 /nfs/dbraw/zinc/00/22/06/1131002206.db2.gz UTPWEZVLFMTYIL-ZKJMASMISA-N 0 2 296.326 3.666 20 30 CHEDLN N#CC(C(=O)[C@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712155 1131180218 /nfs/dbraw/zinc/18/02/18/1131180218.db2.gz JIPIWJFSWBKNMX-QWHCGFSZSA-N 0 2 294.379 3.786 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1CC12CC2)c1nc(-c2ccccc2)cs1 ZINC000817712155 1131180222 /nfs/dbraw/zinc/18/02/22/1131180222.db2.gz JIPIWJFSWBKNMX-QWHCGFSZSA-N 0 2 294.379 3.786 20 30 CHEDLN C=C(C)CONC(=O)CSc1ccc(C(C)C)cc1 ZINC001144640432 1131669733 /nfs/dbraw/zinc/66/97/33/1131669733.db2.gz WMQKQTGGUWTPQD-UHFFFAOYSA-N 0 2 279.405 3.526 20 30 CHEDLN C=CC[C@@H](Oc1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC001228697785 1131937025 /nfs/dbraw/zinc/93/70/25/1131937025.db2.gz LTWWIOAMUMIZDA-OAHLLOKOSA-N 0 2 292.342 3.563 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)C2CCC2)n1 ZINC000838812237 1132148760 /nfs/dbraw/zinc/14/87/60/1132148760.db2.gz UWFPSPPSYHWDIS-ZYHUDNBSSA-N 0 2 276.405 3.879 20 30 CHEDLN N#C[C@@H](C(=O)C[C@@H]1C=CCC1)c1nc(C2CC2)cs1 ZINC000842938628 1132478993 /nfs/dbraw/zinc/47/89/93/1132478993.db2.gz OFURQHAQCZTVKV-PWSUYJOCSA-N 0 2 272.373 3.553 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1CC12CCCC2)c1nc(C2CC2)cs1 ZINC000842941704 1132480811 /nfs/dbraw/zinc/48/08/11/1132480811.db2.gz SWUIMYDRNOYNJH-NWDGAFQWSA-N 0 2 286.400 3.777 20 30 CHEDLN N#C[C@@H](C(=O)C[C@H]1C=CCCC1)c1nc(C2CC2)cs1 ZINC000842946853 1132481875 /nfs/dbraw/zinc/48/18/75/1132481875.db2.gz XRUGAZGGNYANQM-AAEUAGOBSA-N 0 2 286.400 3.943 20 30 CHEDLN N#C[C@@H]1CCCCN1Cc1ccc(Cl)c(O)c1Cl ZINC001232627611 1132499014 /nfs/dbraw/zinc/49/90/14/1132499014.db2.gz LQTATEVGTMZUPE-JTQLQIEISA-N 0 2 285.174 3.577 20 30 CHEDLN C=CCN(Cc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233335197 1132603011 /nfs/dbraw/zinc/60/30/11/1132603011.db2.gz LELXWSAMCXEOQC-UHFFFAOYSA-N 0 2 289.325 3.859 20 30 CHEDLN C=CC[N@H+](Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233335197 1132603014 /nfs/dbraw/zinc/60/30/14/1132603014.db2.gz LELXWSAMCXEOQC-UHFFFAOYSA-N 0 2 289.325 3.859 20 30 CHEDLN C=CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233335197 1132603018 /nfs/dbraw/zinc/60/30/18/1132603018.db2.gz LELXWSAMCXEOQC-UHFFFAOYSA-N 0 2 289.325 3.859 20 30 CHEDLN N#CC1=C(Nc2cc(F)cc3[nH]ccc32)SCC1=O ZINC001203733569 1133361370 /nfs/dbraw/zinc/36/13/70/1133361370.db2.gz GCFUTSZDMKUQQN-UHFFFAOYSA-N 0 2 273.292 3.689 20 30 CHEDLN COc1cccc(Nc2ccc(Cl)c(O)c2F)c1C#N ZINC001214803650 1134574921 /nfs/dbraw/zinc/57/49/21/1134574921.db2.gz BBFVHEKRXGRVKH-UHFFFAOYSA-N 0 2 292.697 3.809 20 30 CHEDLN N#Cc1cnoc1Nc1c(F)c(Cl)cc(Cl)c1F ZINC001215937720 1134725950 /nfs/dbraw/zinc/72/59/50/1134725950.db2.gz ZFICHTVXEQWZGW-UHFFFAOYSA-N 0 2 290.056 3.875 20 30 CHEDLN Cc1cc(C)cc(-c2noc(-c3cccc(C#N)c3O)n2)c1 ZINC001216979560 1134956883 /nfs/dbraw/zinc/95/68/83/1134956883.db2.gz BZIHFUANSAIHTR-UHFFFAOYSA-N 0 2 291.310 3.598 20 30 CHEDLN N#Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c(O)c1 ZINC001217038577 1134959255 /nfs/dbraw/zinc/95/92/55/1134959255.db2.gz CFPKKSNHGWKTDS-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000285502705 263093523 /nfs/dbraw/zinc/09/35/23/263093523.db2.gz AZTTUSNTQYRLBN-LBPRGKRZSA-N 0 2 287.146 3.577 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2sccc2C2CC2)n1 ZINC000357508815 266312781 /nfs/dbraw/zinc/31/27/81/266312781.db2.gz GBXSLZIPNQDUFB-NSHDSACASA-N 0 2 288.397 3.881 20 30 CHEDLN CCc1cnccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000180372381 329215600 /nfs/dbraw/zinc/21/56/00/329215600.db2.gz KYSGWMKGPPBTHL-ZDUSSCGKSA-N 0 2 299.399 3.714 20 30 CHEDLN CCc1ccsc1C(=O)C(C#N)c1nc(C)cs1 ZINC000049004230 329633775 /nfs/dbraw/zinc/63/37/75/329633775.db2.gz DNRLCGJRIIUUNN-JTQLQIEISA-N 0 2 276.386 3.566 20 30 CHEDLN Cc1occc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430595901 330569514 /nfs/dbraw/zinc/56/95/14/330569514.db2.gz VSXPFTOWJVNGRW-NSHDSACASA-N 0 2 288.372 3.832 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2scnc2C(C)C)n1 ZINC000453580311 331134776 /nfs/dbraw/zinc/13/47/76/331134776.db2.gz BWVPFYCFICTMBC-VIFPVBQESA-N 0 2 291.401 3.522 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2scnc2C(C)C)n1 ZINC000453580311 331134777 /nfs/dbraw/zinc/13/47/77/331134777.db2.gz BWVPFYCFICTMBC-VIFPVBQESA-N 0 2 291.401 3.522 20 30 CHEDLN CC1CC(C#N)(C(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000546151699 334016735 /nfs/dbraw/zinc/01/67/35/334016735.db2.gz MRYCFRFYRXNMGA-UHFFFAOYSA-N 0 2 299.157 3.577 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccs2)s1 ZINC000430613063 1118621156 /nfs/dbraw/zinc/62/11/56/1118621156.db2.gz UJGXELXCPCCANY-VIFPVBQESA-N 0 2 290.413 3.992 20 30 CHEDLN Cc1cc(NC2=C(C#N)C(=O)CS2)cc(Cl)c1O ZINC001216084780 1134772060 /nfs/dbraw/zinc/77/20/60/1134772060.db2.gz BXIQBQNLIIXIQG-UHFFFAOYSA-N 0 2 280.736 3.736 20 30 CHEDLN Cc1ncsc1/C=C/C(=O)c1ccc(O)c(Cl)c1 ZINC000119260430 1129847581 /nfs/dbraw/zinc/84/75/81/1129847581.db2.gz DIBFQYYXHZOHOY-SNAWJCMRSA-N 0 2 279.748 3.707 20 30 CHEDLN N#Cc1cccc(C(=O)C(C#N)c2nccc3ccccc32)c1 ZINC000361540609 1127570794 /nfs/dbraw/zinc/57/07/94/1127570794.db2.gz JRVCQASWYJSJKD-KRWDZBQOSA-N 0 2 297.317 3.597 20 30 CHEDLN Cc1occc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000361527195 1127570019 /nfs/dbraw/zinc/57/00/19/1127570019.db2.gz QUVKHPFGBVKQKI-OAHLLOKOSA-N 0 2 276.295 3.626 20 30 CHEDLN CCCOc1ccc(F)cc1NC1=C(C#N)C(=O)CS1 ZINC001212198142 1128125567 /nfs/dbraw/zinc/12/55/67/1128125567.db2.gz VTMZDQQIPFTMDE-UHFFFAOYSA-N 0 2 292.335 3.997 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)C(=O)C2(CF)CCC2)s1 ZINC001122975363 1128308036 /nfs/dbraw/zinc/30/80/36/1128308036.db2.gz OXHBWIFJOSBIQY-JTQLQIEISA-N 0 2 294.395 3.757 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2cc3ccccc3o2)c1 ZINC000915980002 1128400214 /nfs/dbraw/zinc/40/02/14/1128400214.db2.gz WEGMVJLWNSDZOC-MFOYZWKCSA-N 0 2 296.282 3.666 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2cccc(Cl)c2)c1 ZINC000920942402 1128695380 /nfs/dbraw/zinc/69/53/80/1128695380.db2.gz CANXQIICJTZGOJ-SXGWCWSVSA-N 0 2 290.706 3.573 20 30 CHEDLN N#Cc1ccccc1/C=C/C(=O)Nc1cccc(Cl)c1O ZINC000179721909 1128755725 /nfs/dbraw/zinc/75/57/25/1128755725.db2.gz UUVONMGNKMNEBB-CMDGGOBGSA-N 0 2 298.729 3.569 20 30 CHEDLN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2o1 ZINC000255086479 1118193199 /nfs/dbraw/zinc/19/31/99/1118193199.db2.gz ILDYJBDNNWGLKF-QDZRJHCZSA-N 0 2 294.335 3.779 20 30 CHEDLN Cc1[nH+]cccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430608516 1118611730 /nfs/dbraw/zinc/61/17/30/1118611730.db2.gz DIARNDSOXVMEKH-GFCCVEGCSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1ncccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430608516 1118611734 /nfs/dbraw/zinc/61/17/34/1118611734.db2.gz DIARNDSOXVMEKH-GFCCVEGCSA-N 0 2 299.399 3.634 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)CC(C)(C)CC(F)F)n1 ZINC000892419191 1119660322 /nfs/dbraw/zinc/66/03/22/1119660322.db2.gz ZJQCOPJJIBDMLQ-VIFPVBQESA-N 0 2 286.347 3.699 20 30 CHEDLN Cc1ccc(-c2csc(C(C#N)C(=O)CCF)n2)cc1 ZINC000892512415 1119822370 /nfs/dbraw/zinc/82/23/70/1119822370.db2.gz FSVLADDGQHZIPH-LBPRGKRZSA-N 0 2 288.347 3.654 20 30 CHEDLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCF)n2)cc1 ZINC000892512415 1119822374 /nfs/dbraw/zinc/82/23/74/1119822374.db2.gz FSVLADDGQHZIPH-LBPRGKRZSA-N 0 2 288.347 3.654 20 30 CHEDLN O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000119262939 1120196395 /nfs/dbraw/zinc/19/63/95/1120196395.db2.gz ZBUKDVLMTOHFMK-DAFODLJHSA-N 0 2 292.693 3.786 20 30 CHEDLN Cc1cc(C)cc(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041545784 1120283828 /nfs/dbraw/zinc/28/38/28/1120283828.db2.gz MSXCVYGGMBLOAS-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC23CCC3)n1 ZINC000759852276 1120585563 /nfs/dbraw/zinc/58/55/63/1120585563.db2.gz XEUGBXCKXXALTF-MNOVXSKESA-N 0 2 274.389 3.633 20 30 CHEDLN CCOc1ccc(C)cc1NC1=C(C#N)C(=O)CS1 ZINC001175123528 1121193011 /nfs/dbraw/zinc/19/30/11/1121193011.db2.gz MHMZWZBHKRNLMR-UHFFFAOYSA-N 0 2 274.345 3.776 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cccc(C(C)C)c2)n1 ZINC000838784992 1122428745 /nfs/dbraw/zinc/42/87/45/1122428745.db2.gz VZQNWYXCLPQCOV-OAHLLOKOSA-N 0 2 298.411 3.994 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)Cc2cccc(C(C)C)c2)n1 ZINC000838784992 1122428749 /nfs/dbraw/zinc/42/87/49/1122428749.db2.gz VZQNWYXCLPQCOV-OAHLLOKOSA-N 0 2 298.411 3.994 20 30 CHEDLN CCCc1ccc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)s1 ZINC000633898950 1129093254 /nfs/dbraw/zinc/09/32/54/1129093254.db2.gz CHTFYRSNFCGDPQ-CYBMUJFWSA-N 0 2 299.399 3.598 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC=CCC2)n1 ZINC000080459094 1129101092 /nfs/dbraw/zinc/10/10/92/1129101092.db2.gz PQWXQKZULIVZCK-NEPJUHHUSA-N 0 2 274.389 3.799 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)C(C)C)n1 ZINC000080460272 1129101181 /nfs/dbraw/zinc/10/11/81/1129101181.db2.gz NWMLTVICRFYMBS-QWRGUYRKSA-N 0 2 264.394 3.735 20 30 CHEDLN N#C[C@@H](C(=O)CCCF)c1nc(-c2ccccc2)cs1 ZINC000850766963 1123300374 /nfs/dbraw/zinc/30/03/74/1123300374.db2.gz YRLJMLWFMLWVMN-LBPRGKRZSA-N 0 2 288.347 3.736 20 30 CHEDLN N#C[C@H](C(=O)C1CCCC1)c1nc(-c2ccncc2)cs1 ZINC000114620077 1123569691 /nfs/dbraw/zinc/56/96/91/1123569691.db2.gz HXXCWMAWQFMZMI-CYBMUJFWSA-N 0 2 297.383 3.572 20 30 CHEDLN Cc1cc(C(=O)[C@H](C#N)c2nc3c(cccc3C)[nH]2)oc1C ZINC000532267798 1125245202 /nfs/dbraw/zinc/24/52/02/1125245202.db2.gz FXBDONVBZKWHMQ-LBPRGKRZSA-N 0 2 293.326 3.571 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)c2cccs2)n1 ZINC000177775306 1125280240 /nfs/dbraw/zinc/28/02/40/1125280240.db2.gz YYKCPLGDUHSTCS-SECBINFHSA-N 0 2 276.386 3.818 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)c2cccs2)n1 ZINC000177775306 1125280246 /nfs/dbraw/zinc/28/02/46/1125280246.db2.gz YYKCPLGDUHSTCS-SECBINFHSA-N 0 2 276.386 3.818 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000741465769 1129437057 /nfs/dbraw/zinc/43/70/57/1129437057.db2.gz YFXDNYOPPKVKAA-SBSYXSKNSA-N 0 2 288.347 3.688 20 30 CHEDLN O=C(/C=C/c1ccc(Cl)nc1)c1ccc(O)c(Cl)c1 ZINC000119276753 1129848034 /nfs/dbraw/zinc/84/80/34/1129848034.db2.gz PRECFIJISLOLSY-DAFODLJHSA-N 0 2 294.137 3.990 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\CC2CCC(F)(F)CC2)c1 ZINC000800721134 1129885838 /nfs/dbraw/zinc/88/58/38/1129885838.db2.gz KETQYMVBTDZJAD-MFOYZWKCSA-N 0 2 298.289 3.545 20 30 CHEDLN O=C(/C=C/c1cccc2nccn21)c1cc(Cl)ccc1O ZINC000769610457 1129919128 /nfs/dbraw/zinc/91/91/28/1129919128.db2.gz QHDDCFOJUBDKQB-FNORWQNLSA-N 0 2 298.729 3.589 20 30 CHEDLN CC(N=Nc1ccc(F)cc1F)C1SC=CC1=O ZINC000769766633 1129922754 /nfs/dbraw/zinc/92/27/54/1129922754.db2.gz PEPSEDQEVNCPMH-UHFFFAOYSA-N 0 2 268.288 3.568 20 30 CHEDLN CC(=NNc1ccc(F)cc1F)c1sccc1O ZINC000769766633 1129922757 /nfs/dbraw/zinc/92/27/57/1129922757.db2.gz PEPSEDQEVNCPMH-UHFFFAOYSA-N 0 2 268.288 3.568 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2C[C@@H]2C(F)F)s1 ZINC000802250557 1129986093 /nfs/dbraw/zinc/98/60/93/1129986093.db2.gz ZKIOGZVFECYWAF-XHNCKOQMSA-N 0 2 298.358 3.518 20 30 CHEDLN N#Cc1cnc(-c2cc(F)ccc2O)c2sccc21 ZINC001240696237 1130421930 /nfs/dbraw/zinc/42/19/30/1130421930.db2.gz JCGFABFQAVXLIF-UHFFFAOYSA-N 0 2 270.288 3.680 20 30 CHEDLN ON=Cc1ccccc1O[C@H](c1cccnc1)C(F)(F)F ZINC001234820090 1130678783 /nfs/dbraw/zinc/67/87/83/1130678783.db2.gz RSWBDZISCPEZAH-CYBMUJFWSA-N 0 2 296.248 3.572 20 30 CHEDLN C=C[C@H](CCCC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234822636 1130678904 /nfs/dbraw/zinc/67/89/04/1130678904.db2.gz YDDHLQGKRAVNOL-CYBMUJFWSA-N 0 2 288.343 3.931 20 30 CHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CC(F)(F)C2)s1 ZINC000797571860 1130994194 /nfs/dbraw/zinc/99/41/94/1130994194.db2.gz WGRFQZSYGYEEMX-SECBINFHSA-N 0 2 298.358 3.662 20 30 CHEDLN N#CC[C@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080349 1131046872 /nfs/dbraw/zinc/04/68/72/1131046872.db2.gz APBUVNFKFVCKBO-SNVBAGLBSA-N 0 2 299.201 3.825 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc(C2CC2)cs1 ZINC000845614503 1131648597 /nfs/dbraw/zinc/64/85/97/1131648597.db2.gz KEAYTJXZCJRCMC-XQQFMLRXSA-N 0 2 286.400 3.633 20 30 CHEDLN C=C[C@H](C)ONC(=O)CSc1ccc(C(C)C)cc1 ZINC000846551136 1131712866 /nfs/dbraw/zinc/71/28/66/1131712866.db2.gz STLZAYQIIWEOKP-LBPRGKRZSA-N 0 2 279.405 3.524 20 30 CHEDLN C=C[C@H](CCCCCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973205 1131989979 /nfs/dbraw/zinc/98/99/79/1131989979.db2.gz HYKSGDHLRFVPPS-GFCCVEGCSA-N 0 2 295.335 3.910 20 30 CHEDLN Cc1csc(C(C#N)C(=O)Cc2cccc(C(C)C)c2)n1 ZINC000838784990 1132146490 /nfs/dbraw/zinc/14/64/90/1132146490.db2.gz VZQNWYXCLPQCOV-HNNXBMFYSA-N 0 2 298.411 3.994 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)Cc2cccc(C(C)C)c2)n1 ZINC000838784990 1132146494 /nfs/dbraw/zinc/14/64/94/1132146494.db2.gz VZQNWYXCLPQCOV-HNNXBMFYSA-N 0 2 298.411 3.994 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC12CCCC2)c1nc(C2CC2)cs1 ZINC000842941703 1132480176 /nfs/dbraw/zinc/48/01/76/1132480176.db2.gz SWUIMYDRNOYNJH-NEPJUHHUSA-N 0 2 286.400 3.777 20 30 CHEDLN N#CC(C(=O)Cc1ccsc1)c1nc(C2CC2)cs1 ZINC000842940123 1132480485 /nfs/dbraw/zinc/48/04/85/1132480485.db2.gz XQEMPBJKPGPQEY-LLVKDONJSA-N 0 2 288.397 3.501 20 30 CHEDLN N#C[C@H](C(=O)Cc1ccsc1)c1nc(C2CC2)cs1 ZINC000842940123 1132480491 /nfs/dbraw/zinc/48/04/91/1132480491.db2.gz XQEMPBJKPGPQEY-LLVKDONJSA-N 0 2 288.397 3.501 20 30 CHEDLN N#C[C@H](C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1nc(C2CC2)cs1 ZINC000842940859 1132480596 /nfs/dbraw/zinc/48/05/96/1132480596.db2.gz KJRRHWSEKGGNDG-CZXHOFHRSA-N 0 2 286.400 3.633 20 30 CHEDLN N#C[C@@H](C(=O)C1CCCCC1)c1nc(C2CC2)cs1 ZINC000842939005 1132480614 /nfs/dbraw/zinc/48/06/14/1132480614.db2.gz PQKXSYBETXYQBG-LBPRGKRZSA-N 0 2 274.389 3.777 20 30 CHEDLN C=CCC[C@H](CC)Oc1cc(O)cc2occc(=O)c12 ZINC001233835507 1132687758 /nfs/dbraw/zinc/68/77/58/1132687758.db2.gz ZRNWTAZGRLBSSK-LBPRGKRZSA-N 0 2 274.316 3.622 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1C#N ZINC001233915399 1132697265 /nfs/dbraw/zinc/69/72/65/1132697265.db2.gz LIVMFIYWOSQUFV-NJZAAPMLSA-N 0 2 288.391 3.807 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C#N ZINC001233919375 1132698094 /nfs/dbraw/zinc/69/80/94/1132698094.db2.gz LIVMFIYWOSQUFV-KYOSRNDESA-N 0 2 288.391 3.807 20 30 CHEDLN N#CC1=C(Nc2cccc(N3CCCC3)c2)SCC1=O ZINC001174487214 1132859738 /nfs/dbraw/zinc/85/97/38/1132859738.db2.gz MSTSWXHHHLOCMZ-UHFFFAOYSA-N 0 2 285.372 3.669 20 30 CHEDLN CC(C)Oc1ccc(NC2=C(C#N)C(=O)CS2)c(F)c1 ZINC001209834587 1134075233 /nfs/dbraw/zinc/07/52/33/1134075233.db2.gz JMHLSDAUXTXHLE-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN CCc1cc(OC)ccc1NC1=C(C#N)C(=O)CS1 ZINC001210715385 1134280990 /nfs/dbraw/zinc/28/09/90/1134280990.db2.gz MFRAUVAESNJXND-UHFFFAOYSA-N 0 2 274.345 3.640 20 30 CHEDLN N#CC1=C(Nc2cccc(OC3CC3)c2)SCC1=O ZINC001210860495 1134315746 /nfs/dbraw/zinc/31/57/46/1134315746.db2.gz OQLQVFPLYCCZFC-UHFFFAOYSA-N 0 2 272.329 3.610 20 30 CHEDLN COc1cccc(C2CC2)c1NC1=C(C#N)C(=O)CS1 ZINC001213813518 1134487047 /nfs/dbraw/zinc/48/70/47/1134487047.db2.gz JUDKTPWTSJBYGC-UHFFFAOYSA-N 0 2 286.356 3.955 20 30 CHEDLN COc1cc(NC2=C(C#N)C(=O)CS2)cc(C)c1F ZINC001215703848 1134662108 /nfs/dbraw/zinc/66/21/08/1134662108.db2.gz LFXGWAATLBPADK-UHFFFAOYSA-N 0 2 278.308 3.525 20 30 CHEDLN N#CC1=C(Nc2ccc(Cl)c3c[nH]nc32)SCC1=O ZINC001216055131 1134762398 /nfs/dbraw/zinc/76/23/98/1134762398.db2.gz CJCGSMJMVAIAJX-UHFFFAOYSA-N 0 2 290.735 3.599 20 30 CHEDLN N#Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)c(O)c1 ZINC001217039139 1134958763 /nfs/dbraw/zinc/95/87/63/1134958763.db2.gz NZEHXDGMUJKJEN-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620107 1135598126 /nfs/dbraw/zinc/59/81/26/1135598126.db2.gz MRPPADYEDRPBJJ-DOMZBBRYSA-N 0 2 289.331 3.980 20 30 CHEDLN Cc1cc(F)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000178468717 261393806 /nfs/dbraw/zinc/39/38/06/261393806.db2.gz DBJRTMPZTRWBSN-CYBMUJFWSA-N 0 2 294.285 3.765 20 30 CHEDLN Cc1cc(F)ccc1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178468717 261393807 /nfs/dbraw/zinc/39/38/07/261393807.db2.gz DBJRTMPZTRWBSN-CYBMUJFWSA-N 0 2 294.285 3.765 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(C)o1 ZINC000080457653 264395407 /nfs/dbraw/zinc/39/54/07/264395407.db2.gz UVESXNWEIMEPRZ-GFCCVEGCSA-N 0 2 288.372 3.966 20 30 CHEDLN CCc1cnccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000180372365 329215588 /nfs/dbraw/zinc/21/55/88/329215588.db2.gz KYSGWMKGPPBTHL-CYBMUJFWSA-N 0 2 299.399 3.714 20 30 CHEDLN Cc1ccc[nH+]c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430611584 330569542 /nfs/dbraw/zinc/56/95/42/330569542.db2.gz OQWRPOIKENFVLO-LLVKDONJSA-N 0 2 299.399 3.634 20 30 CHEDLN CC(C)C[C@@H](C/[NH+]=C\c1c(O)ccc2ccccc21)C(=O)[O-] ZINC000736403810 600816562 /nfs/dbraw/zinc/81/65/62/600816562.db2.gz KOKVTRMWCYPYOB-KVMVOAJRSA-N 0 2 299.370 3.711 20 30 CHEDLN Cc1cccc2c1CC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000729641026 1125481777 /nfs/dbraw/zinc/48/17/77/1125481777.db2.gz ANXYUHIDUDIMLY-PMFHANACSA-N 0 2 296.326 3.715 20 30 CHEDLN Cc1cc(Cl)c(N)c(NC2=C(C#N)C(=O)CS2)c1 ZINC001216092159 1134774852 /nfs/dbraw/zinc/77/48/52/1134774852.db2.gz FYDYTVFURDCTEK-UHFFFAOYSA-N 0 2 279.752 3.613 20 30 CHEDLN N#C[C@H](C(=O)c1ccoc1)c1nc2cc(F)ccc2s1 ZINC000592974175 1127363570 /nfs/dbraw/zinc/36/35/70/1127363570.db2.gz PEDJNYNVGKIUMB-SNVBAGLBSA-N 0 2 286.287 3.518 20 30 CHEDLN CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000914701519 1128232386 /nfs/dbraw/zinc/23/23/86/1128232386.db2.gz JTSPLKLBZQOIPC-WOJGMQOQSA-N 0 2 298.342 3.697 20 30 CHEDLN CC[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000915113045 1128284661 /nfs/dbraw/zinc/28/46/61/1128284661.db2.gz MACFBDYGLCYGAX-NMGOYGNESA-N 0 2 276.336 3.688 20 30 CHEDLN Oc1ccc(C=NNc2cc(Cl)ccn2)cc1Cl ZINC000777905284 1128318393 /nfs/dbraw/zinc/31/83/93/1128318393.db2.gz FUFRNGCKPROVRZ-UHFFFAOYSA-N 0 2 282.130 3.540 20 30 CHEDLN CCCCCC1=CCCC1=NNc1nc(=O)cc(C)[nH]1 ZINC000916583561 1128427398 /nfs/dbraw/zinc/42/73/98/1128427398.db2.gz KGETZRJWMIAXHP-UHFFFAOYSA-N 0 2 274.368 3.559 20 30 CHEDLN CCCCCC1=C(N=Nc2nc(C)cc(=O)[nH]2)CCC1 ZINC000916583561 1128427401 /nfs/dbraw/zinc/42/74/01/1128427401.db2.gz KGETZRJWMIAXHP-UHFFFAOYSA-N 0 2 274.368 3.559 20 30 CHEDLN C[C@@H](CCc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000920942971 1128695652 /nfs/dbraw/zinc/69/56/52/1128695652.db2.gz WFBQPYSKLGBAAL-CYUIRQCWSA-N 0 2 298.342 3.741 20 30 CHEDLN N#CC(C(=O)Cc1cccs1)c1nc(C2CC2)cs1 ZINC000842939207 1118175239 /nfs/dbraw/zinc/17/52/39/1118175239.db2.gz RWLUFUOIKGPIHW-LLVKDONJSA-N 0 2 288.397 3.501 20 30 CHEDLN N#C[C@H](C(=O)Cc1cccs1)c1nc(C2CC2)cs1 ZINC000842939207 1118175241 /nfs/dbraw/zinc/17/52/41/1118175241.db2.gz RWLUFUOIKGPIHW-LLVKDONJSA-N 0 2 288.397 3.501 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C(C)(C)CC(C)C)n1 ZINC000084692349 1118399434 /nfs/dbraw/zinc/39/94/34/1118399434.db2.gz DPZCSEDECVBWMM-NSHDSACASA-N 0 2 264.394 3.700 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C2CCCCCCC2)c1 ZINC000022727051 1118822606 /nfs/dbraw/zinc/82/26/06/1118822606.db2.gz BWLCJYPUJVAGGV-LFIBNONCSA-N 0 2 276.336 3.832 20 30 CHEDLN N#CC1=C(Nc2cc(F)ccc2Cl)SCC1=O ZINC001216478453 1119124801 /nfs/dbraw/zinc/12/48/01/1119124801.db2.gz SAQBXDGUYJHLLX-UHFFFAOYSA-N 0 2 268.700 3.861 20 30 CHEDLN N#C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc2ccccc2s1 ZINC000892424775 1119698858 /nfs/dbraw/zinc/69/88/58/1119698858.db2.gz RPLUVIYAJWGKOX-AVGNSLFASA-N 0 2 296.395 3.909 20 30 CHEDLN N#CC1=C(Nc2ccc3cc[nH]c3c2)SCC1=O ZINC001174747699 1121034631 /nfs/dbraw/zinc/03/46/31/1121034631.db2.gz JQKWYWFKTPNLQI-UHFFFAOYSA-N 0 2 255.302 3.550 20 30 CHEDLN N#CC1=C(Nc2ccccc2Cl)SCC1=O ZINC001176553137 1121653741 /nfs/dbraw/zinc/65/37/41/1121653741.db2.gz RNNHEMIODAIDKI-UHFFFAOYSA-N 0 2 250.710 3.722 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3cc[nH]c32)c1 ZINC000773904367 1122037751 /nfs/dbraw/zinc/03/77/51/1122037751.db2.gz AGXRTMQEKMOTMJ-UHFFFAOYSA-N 0 2 281.271 3.532 20 30 CHEDLN C=C1CC(C)(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000632224618 1129043632 /nfs/dbraw/zinc/04/36/32/1129043632.db2.gz FUYYGNRIHFLAGG-UHFFFAOYSA-N 0 2 286.158 3.994 20 30 CHEDLN Cc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)s1 ZINC000049020804 1123058804 /nfs/dbraw/zinc/05/88/04/1123058804.db2.gz UTOZQMHPPBGMMH-SOOGHKCXSA-N 0 2 290.344 3.850 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000041545433 1123592383 /nfs/dbraw/zinc/59/23/83/1123592383.db2.gz GVJPRLOUBQGTKX-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)c1 ZINC000041545433 1123592385 /nfs/dbraw/zinc/59/23/85/1123592385.db2.gz GVJPRLOUBQGTKX-AWEZNQCLSA-N 0 2 290.322 3.935 20 30 CHEDLN Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000734305023 1129300552 /nfs/dbraw/zinc/30/05/52/1129300552.db2.gz FLNLVXVNBWJCQZ-VQHVLOKHSA-N 0 2 297.310 3.813 20 30 CHEDLN CC[C@H](C)C[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000743041691 1129511408 /nfs/dbraw/zinc/51/14/08/1129511408.db2.gz BZWAIPJRHFAIFJ-ALNRQSLMSA-N 0 2 264.325 3.544 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000115901038 1129843053 /nfs/dbraw/zinc/84/30/53/1129843053.db2.gz HLXTXRWCPCIPQX-ZFWWWQNUSA-N 0 2 296.395 3.748 20 30 CHEDLN O=C(/C=C/c1cccc(O)c1)c1ccc(O)c(Cl)c1 ZINC000119257323 1129847706 /nfs/dbraw/zinc/84/77/06/1129847706.db2.gz FBSKYPGTWVORLC-GQCTYLIASA-N 0 2 274.703 3.647 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(C3CC3)cc2)c1 ZINC000771520691 1129984014 /nfs/dbraw/zinc/98/40/14/1129984014.db2.gz PRAURTHYXONTLE-UHFFFAOYSA-N 0 2 282.299 3.928 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CC2(C)C)s1 ZINC000797568410 1130993964 /nfs/dbraw/zinc/99/39/64/1130993964.db2.gz RIQJQFXEXUULAL-UWVGGRQHSA-N 0 2 276.405 3.663 20 30 CHEDLN N#C[C@@H](C(=O)C(F)=CC1CCCCC1)c1ccccn1 ZINC000815907199 1131029609 /nfs/dbraw/zinc/02/96/09/1131029609.db2.gz VIPPLRRJEAWKOS-PCRWRXJSSA-N 0 2 272.323 3.692 20 30 CHEDLN N#C[C@H](C(=O)C(F)=CC1CCCCC1)c1ccccn1 ZINC000815907198 1131029636 /nfs/dbraw/zinc/02/96/36/1131029636.db2.gz VIPPLRRJEAWKOS-ODUNQGDFSA-N 0 2 272.323 3.692 20 30 CHEDLN C=C[C@H](C)ONC(=O)C1(c2ccccc2)CC2(CCC2)C1 ZINC001144589461 1131661813 /nfs/dbraw/zinc/66/18/13/1131661813.db2.gz NSYLEAYIUFIVOX-AWEZNQCLSA-N 0 2 285.387 3.511 20 30 CHEDLN C=C(C)CONC(=O)CSc1ccc2ccccc2c1 ZINC001144640304 1131669972 /nfs/dbraw/zinc/66/99/72/1131669972.db2.gz QHAQLMWFLUKLID-UHFFFAOYSA-N 0 2 287.384 3.556 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC000835201096 1131791398 /nfs/dbraw/zinc/79/13/98/1131791398.db2.gz SJWOJIFLYUEWED-WUHRBBMRSA-N 0 2 288.416 3.879 20 30 CHEDLN C=CC[C@@H](Oc1nc2[nH]ccc(C)c-2n1)c1ccccc1 ZINC001231063252 1132250649 /nfs/dbraw/zinc/25/06/49/1132250649.db2.gz DBHQKXASCXHXIT-CQSZACIVSA-N 0 2 279.343 3.963 20 30 CHEDLN C#C[C@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@@H](CC)CCCC ZINC001233915282 1132697575 /nfs/dbraw/zinc/69/75/75/1132697575.db2.gz GPSHQGGJUZRXAB-ZFWWWQNUSA-N 0 2 286.375 3.564 20 30 CHEDLN CCC[C@H]1CCCC[C@@H]1Oc1[nH]c(=O)cc(C)c1C#N ZINC001233919301 1132698885 /nfs/dbraw/zinc/69/88/85/1132698885.db2.gz FWHDJZPDZYAPFK-JSGCOSHPSA-N 0 2 274.364 3.705 20 30 CHEDLN C=C1CCC(CNC(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC001161784519 1133029501 /nfs/dbraw/zinc/02/95/01/1133029501.db2.gz MNQSJRMPAXSVAY-UHFFFAOYSA-N 0 2 297.757 3.661 20 30 CHEDLN O/N=C/c1ccc(F)c(-c2c(F)cc(F)c(F)c2F)c1 ZINC001205186274 1133543155 /nfs/dbraw/zinc/54/31/55/1133543155.db2.gz SLONXPQPVRARTQ-PTXOJBNSSA-N 0 2 287.187 3.857 20 30 CHEDLN COc1cc(NC2=CC(=O)CC(C)(C)C2)ccc1S ZINC001210155672 1134158544 /nfs/dbraw/zinc/15/85/44/1134158544.db2.gz CCTXRIPSNOGJQD-UHFFFAOYSA-N 0 2 277.389 3.669 20 30 CHEDLN Cc1cc(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)cc1C#N ZINC001210399536 1134209110 /nfs/dbraw/zinc/20/91/10/1134209110.db2.gz RLPWATXNBUPECO-UHFFFAOYSA-N 0 2 283.287 3.533 20 30 CHEDLN N#Cc1cc(N)ccc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210931923 1134330839 /nfs/dbraw/zinc/33/08/39/1134330839.db2.gz XMSRRLZXKGUEPD-UHFFFAOYSA-N 0 2 294.141 3.896 20 30 CHEDLN Cc1cc(F)cc(C)c1NC1=C(C#N)C(=O)CS1 ZINC001215962613 1134733750 /nfs/dbraw/zinc/73/37/50/1134733750.db2.gz AWJWIQOOBNBKDL-UHFFFAOYSA-N 0 2 262.309 3.825 20 30 CHEDLN N#Cc1ccc(-c2nc(-c3ccccc3Cl)no2)c(O)c1 ZINC001217040136 1134959533 /nfs/dbraw/zinc/95/95/33/1134959533.db2.gz QOPIMBFGRAICQA-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN O/N=C(\O[C@@H]1CC(F)(F)C1(F)F)c1ccc(Cl)cc1 ZINC001223592837 1135363267 /nfs/dbraw/zinc/36/32/67/1135363267.db2.gz FWJIQWCDPHRCFD-SEPNWTMDSA-N 0 2 297.635 3.535 20 30 CHEDLN Cc1ccc([C@H](C)Oc2[nH]c(=O)cc(C)c2C#N)c(C)c1 ZINC001226222916 1135673990 /nfs/dbraw/zinc/67/39/90/1135673990.db2.gz JSLRKGYUUUJDLI-ZDUSSCGKSA-N 0 2 282.343 3.724 20 30 CHEDLN CC[C@](C)(C#N)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000285775011 263095557 /nfs/dbraw/zinc/09/55/57/263095557.db2.gz JPQFZSGYXMFLQM-GFCCVEGCSA-N 0 2 287.146 3.577 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2scnc2C(C)C)n1 ZINC000453580310 331134867 /nfs/dbraw/zinc/13/48/67/331134867.db2.gz BWVPFYCFICTMBC-SECBINFHSA-N 0 2 291.401 3.522 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2scnc2C(C)C)n1 ZINC000453580310 331134868 /nfs/dbraw/zinc/13/48/68/331134868.db2.gz BWVPFYCFICTMBC-SECBINFHSA-N 0 2 291.401 3.522 20 30 CHEDLN C=CCCc1ccc(-c2[nH+]c3n(c2C(=O)[O-])CCCC3)cc1 ZINC000575816073 335118585 /nfs/dbraw/zinc/11/85/85/335118585.db2.gz KXHJKDLDMVXSOW-UHFFFAOYSA-N 0 2 296.370 3.703 20 30 CHEDLN C=CCCCCSc1nc(=O)cc(O)n1C1CCCC1 ZINC000576194769 335167476 /nfs/dbraw/zinc/16/74/76/335167476.db2.gz BIDHANALYBVMJV-UHFFFAOYSA-N 0 2 294.420 3.512 20 30 CHEDLN C=C(C)C[C@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)C(=O)[O-] ZINC001573324612 962787411 /nfs/dbraw/zinc/78/74/11/962787411.db2.gz VUGFCCNKEWICQB-ZDUSSCGKSA-N 0 2 291.395 3.555 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)CC2CC(F)(F)C2)n1 ZINC000835200121 1131790917 /nfs/dbraw/zinc/79/09/17/1131790917.db2.gz FZOCJPMGPPHESO-SNVBAGLBSA-N 0 2 298.358 3.878 20 30 CHEDLN N#CC1=C(Nc2cccc(OC(F)F)c2)SCC1=O ZINC001212055886 1125672716 /nfs/dbraw/zinc/67/27/16/1125672716.db2.gz ANSXROICZZTXPB-UHFFFAOYSA-N 0 2 282.271 3.670 20 30 CHEDLN CC(N=Nc1cn[nH]c(=O)c1Cl)C1CCCCCC1 ZINC000783823060 1130856515 /nfs/dbraw/zinc/85/65/15/1130856515.db2.gz ZQEIAEGYJQAJTI-UHFFFAOYSA-N 0 2 282.775 3.594 20 30 CHEDLN CC(=NNc1cnnc(O)c1Cl)C1CCCCCC1 ZINC000783823060 1130856521 /nfs/dbraw/zinc/85/65/21/1130856521.db2.gz ZQEIAEGYJQAJTI-UHFFFAOYSA-N 0 2 282.775 3.594 20 30 CHEDLN N#C[C@@H](C(=O)C1=CCCC1)c1nc2cc(F)ccc2s1 ZINC000761166161 1127488306 /nfs/dbraw/zinc/48/83/06/1127488306.db2.gz JSPOUYDDGLADAK-NSHDSACASA-N 0 2 286.331 3.722 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2cc3ccccc3o2)c1 ZINC000915980003 1128399625 /nfs/dbraw/zinc/39/96/25/1128399625.db2.gz WEGMVJLWNSDZOC-RQZCQDPDSA-N 0 2 296.282 3.666 20 30 CHEDLN N#C[C@H](C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 ZINC000041546252 1128547434 /nfs/dbraw/zinc/54/74/34/1128547434.db2.gz NKNDSFZGXLZBKS-GFCCVEGCSA-N 0 2 296.713 3.971 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3c(c2)CCC3)c1 ZINC000920942369 1128695397 /nfs/dbraw/zinc/69/53/97/1128695397.db2.gz AJDNXELSJSGNLP-UHFFFAOYSA-N 0 2 282.299 3.540 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@H]2CCCC[C@H]2C)n1 ZINC000920788485 1128691534 /nfs/dbraw/zinc/69/15/34/1128691534.db2.gz CZQZJLYWIKRVTP-RAIGVLPGSA-N 0 2 276.405 3.844 20 30 CHEDLN O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(O)c(F)c1 ZINC000170851787 1128740701 /nfs/dbraw/zinc/74/07/01/1128740701.db2.gz ZXUVSJUVXWTYLY-DAFODLJHSA-N 0 2 292.693 3.786 20 30 CHEDLN Oc1c(Cl)cc(Cl)cc1C=NOCC(F)(F)F ZINC000764836474 1118120881 /nfs/dbraw/zinc/12/08/81/1118120881.db2.gz UIBUETJCDJXUHM-UHFFFAOYSA-N 0 2 288.052 3.612 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)Cc2cccs2)n1 ZINC000177770990 1118461358 /nfs/dbraw/zinc/46/13/58/1118461358.db2.gz HPJZBIKGERPDJE-NSHDSACASA-N 0 2 290.413 3.747 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)Cc2cccs2)n1 ZINC000177770990 1118461361 /nfs/dbraw/zinc/46/13/61/1118461361.db2.gz HPJZBIKGERPDJE-NSHDSACASA-N 0 2 290.413 3.747 20 30 CHEDLN N#CC(C(=O)c1ccoc1C1CC1)c1nc2ccccc2o1 ZINC000342649003 1119111800 /nfs/dbraw/zinc/11/18/00/1119111800.db2.gz FSJATEBXMVUEIP-LBPRGKRZSA-N 0 2 292.294 3.788 20 30 CHEDLN N#CC1=C(Nc2ccccc2OC(F)F)SCC1=O ZINC001176013102 1121524948 /nfs/dbraw/zinc/52/49/48/1121524948.db2.gz XECZKKGSWQLSHF-UHFFFAOYSA-N 0 2 282.271 3.670 20 30 CHEDLN CC[C@H](Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000727781586 1121740510 /nfs/dbraw/zinc/74/05/10/1121740510.db2.gz QVXJQQKMSVXFJA-GYZOOYGHSA-N 0 2 298.342 3.741 20 30 CHEDLN Cc1ccc2c(c1)[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000730146973 1121794824 /nfs/dbraw/zinc/79/48/24/1121794824.db2.gz IYGCHKQNVBNJRL-PMFHANACSA-N 0 2 296.326 3.715 20 30 CHEDLN CCC(C)(C)N(CCC#N)C(=O)c1cccc(Cl)c1O ZINC001269758631 1122364077 /nfs/dbraw/zinc/36/40/77/1122364077.db2.gz QWABQWHWOBJCLI-UHFFFAOYSA-N 0 2 294.782 3.590 20 30 CHEDLN CCc1ccc(F)cc1C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000633894505 1129093851 /nfs/dbraw/zinc/09/38/51/1129093851.db2.gz KMPXUDSLVYAOOD-ZDUSSCGKSA-N 0 2 288.347 3.643 20 30 CHEDLN Cc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)s1 ZINC000049020800 1123058201 /nfs/dbraw/zinc/05/82/01/1123058201.db2.gz UTOZQMHPPBGMMH-IIBSKXHVSA-N 0 2 290.344 3.850 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)CSC(C)(C)C)n1 ZINC000080456603 1129100121 /nfs/dbraw/zinc/10/01/21/1129100121.db2.gz UZWNKRVVAQRKDR-SNVBAGLBSA-N 0 2 296.461 3.974 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H](C)CC2CCCC2)n1 ZINC000114617305 1123569736 /nfs/dbraw/zinc/56/97/36/1123569736.db2.gz FUNHPMGFPPEQRJ-GXFFZTMASA-N 0 2 276.405 3.844 20 30 CHEDLN O=C1c2ccccc2CC/C1=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000194659950 1129137022 /nfs/dbraw/zinc/13/70/22/1129137022.db2.gz MEENLJVVTVXIMR-LCYFTJDESA-N 0 2 295.294 3.513 20 30 CHEDLN N#CC(C(=O)C12CC(C1)C2)c1nc(-c2ccccc2)cs1 ZINC000860476237 1123734670 /nfs/dbraw/zinc/73/46/70/1123734670.db2.gz GTPLIMVPMLDMOD-XKZABGERSA-N 0 2 294.379 3.786 20 30 CHEDLN N#C[C@@H](C(=O)C12CC(C1)C2)c1nc(-c2ccccc2)cs1 ZINC000860476237 1123734675 /nfs/dbraw/zinc/73/46/75/1123734675.db2.gz GTPLIMVPMLDMOD-XKZABGERSA-N 0 2 294.379 3.786 20 30 CHEDLN N#CC(C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc(C2CC2)cs1 ZINC000860844262 1123753249 /nfs/dbraw/zinc/75/32/49/1123753249.db2.gz HEIIITJLJGKUDY-IJLUTSLNSA-N 0 2 298.367 3.593 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc(C2CC2)cs1 ZINC000860844262 1123753251 /nfs/dbraw/zinc/75/32/51/1123753251.db2.gz HEIIITJLJGKUDY-IJLUTSLNSA-N 0 2 298.367 3.593 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)C2(C)CC=CC2)n1 ZINC001122685339 1131302047 /nfs/dbraw/zinc/30/20/47/1131302047.db2.gz MMOXXHVNHURIPV-NSHDSACASA-N 0 2 274.389 3.799 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)C2(C)CC=CC2)n1 ZINC001122685339 1131302053 /nfs/dbraw/zinc/30/20/53/1131302053.db2.gz MMOXXHVNHURIPV-NSHDSACASA-N 0 2 274.389 3.799 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H](C)Cc2ccccc2C)n1 ZINC000528907202 1124839577 /nfs/dbraw/zinc/83/95/77/1124839577.db2.gz GSQAOZQMJIUYLA-SWLSCSKDSA-N 0 2 298.411 3.815 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)n1 ZINC000528966880 1124862835 /nfs/dbraw/zinc/86/28/35/1124862835.db2.gz OHBPSUAIHSOFQA-PCGAWMICSA-N 0 2 288.416 3.735 20 30 CHEDLN CCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000729149721 1125316315 /nfs/dbraw/zinc/31/63/15/1125316315.db2.gz OGWROWSWZGZXOK-BGARDKSCSA-N 0 2 299.330 3.656 20 30 CHEDLN C=C[C@@H](CCCCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971810 1125340726 /nfs/dbraw/zinc/34/07/26/1125340726.db2.gz RXGXHRZDKRJQAK-NSHDSACASA-N 0 2 281.308 3.520 20 30 CHEDLN N#CC(C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2o1 ZINC000041547756 1125434405 /nfs/dbraw/zinc/43/44/05/1125434405.db2.gz HXLWZBCFRKLLCP-GFCCVEGCSA-N 0 2 298.248 3.596 20 30 CHEDLN N#C[C@H](C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2o1 ZINC000041547756 1125434407 /nfs/dbraw/zinc/43/44/07/1125434407.db2.gz HXLWZBCFRKLLCP-GFCCVEGCSA-N 0 2 298.248 3.596 20 30 CHEDLN CC[C@@H]1CCC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000740763279 1129418743 /nfs/dbraw/zinc/41/87/43/1129418743.db2.gz FGKDOUKMUXFLBT-DORGZDKSSA-N 0 2 276.336 3.688 20 30 CHEDLN N#Cc1ccc(-c2ccc(O)c(C(F)(F)F)c2)c(C#N)c1 ZINC001242162792 1129664637 /nfs/dbraw/zinc/66/46/37/1129664637.db2.gz SHJXEKXBKKTZOX-UHFFFAOYSA-N 0 2 288.228 3.821 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)CC(C)(C)C(F)(F)F)n1 ZINC000796618418 1129828270 /nfs/dbraw/zinc/82/82/70/1129828270.db2.gz IENKZLKYJAYPDQ-MRVPVSSYSA-N 0 2 290.310 3.606 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C[C@H]2CCc3ccccc32)n1 ZINC000115901043 1129843450 /nfs/dbraw/zinc/84/34/50/1129843450.db2.gz HLXTXRWCPCIPQX-HIFRSBDPSA-N 0 2 296.395 3.748 20 30 CHEDLN CC(C)(C#N)CCCCOC(=O)c1cc(F)c(O)c(F)c1 ZINC000768755470 1129872737 /nfs/dbraw/zinc/87/27/37/1129872737.db2.gz TZRIIJHMKLVFRE-UHFFFAOYSA-N 0 2 297.301 3.547 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C=Cc2ccc[nH]2)s1 ZINC000802249615 1129986077 /nfs/dbraw/zinc/98/60/77/1129986077.db2.gz CJLIFQWHBFIBQR-SYTKJHMZSA-N 0 2 299.399 3.658 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000797547058 1130991018 /nfs/dbraw/zinc/99/10/18/1130991018.db2.gz CTGKTCLITGPJJV-NMFUWQPSSA-N 0 2 296.395 3.678 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000797547058 1130991022 /nfs/dbraw/zinc/99/10/22/1130991022.db2.gz CTGKTCLITGPJJV-NMFUWQPSSA-N 0 2 296.395 3.678 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCCC2)s1 ZINC000797568379 1130993610 /nfs/dbraw/zinc/99/36/10/1130993610.db2.gz HUMDWWMQCXLITG-NSHDSACASA-N 0 2 276.405 3.807 20 30 CHEDLN N#CC(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1nc2ccccc2s1 ZINC000817714801 1131180244 /nfs/dbraw/zinc/18/02/44/1131180244.db2.gz WZPUMMUFAFHUNF-QNWHQSFQSA-N 0 2 296.395 3.909 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1nc2ccccc2s1 ZINC000817714801 1131180249 /nfs/dbraw/zinc/18/02/49/1131180249.db2.gz WZPUMMUFAFHUNF-QNWHQSFQSA-N 0 2 296.395 3.909 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC000845480620 1131639036 /nfs/dbraw/zinc/63/90/36/1131639036.db2.gz JHMBPNNXWVZHOC-YNEHKIRRSA-N 0 2 288.416 3.879 20 30 CHEDLN N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1nc2ccccc2s1 ZINC000835040241 1131762241 /nfs/dbraw/zinc/76/22/41/1131762241.db2.gz OOPJNMWETNUGHX-MROQNXINSA-N 0 2 296.395 3.909 20 30 CHEDLN N#C[C@H]1CCCCN1Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140832108 1131942546 /nfs/dbraw/zinc/94/25/46/1131942546.db2.gz AMFCGZCATBDZGQ-SNVBAGLBSA-N 0 2 285.174 3.577 20 30 CHEDLN N#CC(=C(O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694232 1132452250 /nfs/dbraw/zinc/45/22/50/1132452250.db2.gz TUVIDOLAXZENII-LXKVQUBZSA-N 0 2 280.327 3.750 20 30 CHEDLN N#CC(C(=O)C=CC1CCCC1)c1nc2ccccc2o1 ZINC000842694232 1132452254 /nfs/dbraw/zinc/45/22/54/1132452254.db2.gz TUVIDOLAXZENII-LXKVQUBZSA-N 0 2 280.327 3.750 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1CCC(F)(F)C1)c1nc(C2CC2)cs1 ZINC000842945383 1132481830 /nfs/dbraw/zinc/48/18/30/1132481830.db2.gz QGQURUKXUDLWHN-UWVGGRQHSA-N 0 2 296.342 3.632 20 30 CHEDLN N#C[C@H](C(=O)C[C@H]1C=CCCC1)c1nc(C2CC2)cs1 ZINC000842946859 1132481997 /nfs/dbraw/zinc/48/19/97/1132481997.db2.gz XRUGAZGGNYANQM-WCQYABFASA-N 0 2 286.400 3.943 20 30 CHEDLN C=CC[C@H](CCC)Oc1cc(O)cc2occc(=O)c12 ZINC001233828246 1132686864 /nfs/dbraw/zinc/68/68/64/1132686864.db2.gz ZPFWURXMLXNLGH-GFCCVEGCSA-N 0 2 274.316 3.622 20 30 CHEDLN CCC(CC)[C@@H](CC)Oc1[nH]c(=O)cc(C)c1C#N ZINC001233915228 1132697118 /nfs/dbraw/zinc/69/71/18/1132697118.db2.gz BATMZCCXASOIRE-CYBMUJFWSA-N 0 2 262.353 3.561 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H]2C[C@H](C)CC(C)(C)C2)c1C#N ZINC001233915248 1132697419 /nfs/dbraw/zinc/69/74/19/1132697419.db2.gz COLZVSVCAYEVKY-JQWIXIFHSA-N 0 2 274.364 3.561 20 30 CHEDLN C#C[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)[C@H](CC)CCCC ZINC001233915281 1132697539 /nfs/dbraw/zinc/69/75/39/1132697539.db2.gz GPSHQGGJUZRXAB-UKRRQHHQSA-N 0 2 286.375 3.564 20 30 CHEDLN N#CC1=C(Nc2c3cc[nH]c3ccc2F)SCC1=O ZINC001204254550 1133426052 /nfs/dbraw/zinc/42/60/52/1133426052.db2.gz OAVSOMNDAOKOIS-UHFFFAOYSA-N 0 2 273.292 3.689 20 30 CHEDLN Cc1nc(-c2cc(F)c(O)cc2F)c(C#N)c(C)c1C ZINC001206775834 1133747223 /nfs/dbraw/zinc/74/72/23/1133747223.db2.gz NJYMXBAJQAHJTP-UHFFFAOYSA-N 0 2 274.270 3.529 20 30 CHEDLN N#Cc1cc(Cl)cc(Nc2cc(C#N)c(F)cc2O)c1 ZINC001210539513 1134242761 /nfs/dbraw/zinc/24/27/61/1134242761.db2.gz CZJWVTPPHWYUKO-UHFFFAOYSA-N 0 2 287.681 3.672 20 30 CHEDLN N#Cc1ccc(Nc2cccc(O)c2Cl)c(C#N)c1 ZINC001210860383 1134315108 /nfs/dbraw/zinc/31/51/08/1134315108.db2.gz YWTLHQNYIVNZQF-UHFFFAOYSA-N 0 2 269.691 3.533 20 30 CHEDLN N#Cc1cccc(C#N)c1Nc1c(Cl)ccc(O)c1F ZINC001214559648 1134551475 /nfs/dbraw/zinc/55/14/75/1134551475.db2.gz RVGHOJRQZWTBEZ-UHFFFAOYSA-N 0 2 287.681 3.672 20 30 CHEDLN Cc1nsc(Nc2ccc(Cl)c(O)c2F)c1C#N ZINC001214791016 1134573911 /nfs/dbraw/zinc/57/39/11/1134573911.db2.gz GVFAHFHWORGTCJ-UHFFFAOYSA-N 0 2 283.715 3.565 20 30 CHEDLN N#Cc1cc(O)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214804494 1134575366 /nfs/dbraw/zinc/57/53/66/1134575366.db2.gz UKIQIADQHSUTCM-UHFFFAOYSA-N 0 2 278.670 3.506 20 30 CHEDLN COc1cc(C)cc(F)c1NC1=C(C#N)C(=O)CS1 ZINC001215707408 1134663913 /nfs/dbraw/zinc/66/39/13/1134663913.db2.gz FTWGVDQPYIEMFQ-UHFFFAOYSA-N 0 2 278.308 3.525 20 30 CHEDLN COc1cc(NC2=C(C#N)C(=O)CS2)ccc1C1CC1 ZINC001216250785 1134825593 /nfs/dbraw/zinc/82/55/93/1134825593.db2.gz QZCJLDXIINGDSJ-UHFFFAOYSA-N 0 2 286.356 3.955 20 30 CHEDLN Cc1ccc(-c2noc(-c3cccc(C#N)c3O)n2)c(C)c1 ZINC001216980195 1134956526 /nfs/dbraw/zinc/95/65/26/1134956526.db2.gz URLPVKMGMAEHSK-UHFFFAOYSA-N 0 2 291.310 3.598 20 30 CHEDLN CCc1cccc(-c2noc(-c3cccc(C#N)c3O)n2)c1 ZINC001216979770 1134957135 /nfs/dbraw/zinc/95/71/35/1134957135.db2.gz JAPKKYCPLBPLDR-UHFFFAOYSA-N 0 2 291.310 3.543 20 30 CHEDLN C=C[C@H](CCC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225886119 1135633979 /nfs/dbraw/zinc/63/39/79/1135633979.db2.gz SGZVXIUPVPRWPT-ZCFIWIBFSA-N 0 2 264.218 3.682 20 30 CHEDLN CCOc1ccc([C@@H](C)Oc2[nH]c(=O)cc(C)c2C#N)cc1 ZINC001226222392 1135673582 /nfs/dbraw/zinc/67/35/82/1135673582.db2.gz ZSOGKJHGGSAORH-GFCCVEGCSA-N 0 2 298.342 3.506 20 30 CHEDLN CCC[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)c1ccccc1 ZINC001226222662 1135674023 /nfs/dbraw/zinc/67/40/23/1135674023.db2.gz GFCKNEUCMNEOFP-OAHLLOKOSA-N 0 2 282.343 3.888 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@H](C)CC2CCCC2)n1 ZINC000114617306 1123570048 /nfs/dbraw/zinc/57/00/48/1123570048.db2.gz FUNHPMGFPPEQRJ-MFKMUULPSA-N 0 2 276.405 3.844 20 30 CHEDLN Cc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000218790277 1125662542 /nfs/dbraw/zinc/66/25/42/1125662542.db2.gz GIXFNAHZTOHXJQ-VURMDHGXSA-N 0 2 283.283 3.505 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2ncsc2C(C)C)n1 ZINC000355116553 1127319078 /nfs/dbraw/zinc/31/90/78/1127319078.db2.gz GXCCXCDERYOYCO-SECBINFHSA-N 0 2 291.401 3.522 20 30 CHEDLN N#C[C@@H](C(=O)c1ccc(Cl)o1)c1nccc2ccccc21 ZINC000361530164 1127570078 /nfs/dbraw/zinc/57/00/78/1127570078.db2.gz YHQMPWZMJDKMOK-GFCCVEGCSA-N 0 2 296.713 3.971 20 30 CHEDLN N#C[C@H](C(=O)CC1CC1)c1nc(-c2ccccc2)cs1 ZINC000915101976 1128282800 /nfs/dbraw/zinc/28/28/00/1128282800.db2.gz LWBOMMXAECCHJH-CYBMUJFWSA-N 0 2 282.368 3.786 20 30 CHEDLN Cc1csc(C(C#N)C(=O)CSC(C)(C)C(C)C)n1 ZINC000762994688 1128343172 /nfs/dbraw/zinc/34/31/72/1128343172.db2.gz NCCYDRFANUKGJX-LLVKDONJSA-N 0 2 296.461 3.796 20 30 CHEDLN N#CC(C(=O)CC1CCCC1)c1nc2ccccc2o1 ZINC000917510118 1128502720 /nfs/dbraw/zinc/50/27/20/1128502720.db2.gz ONGUKJXNBCTSTK-GFCCVEGCSA-N 0 2 268.316 3.584 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)Cc2cccs2)n1 ZINC000177771002 1118461387 /nfs/dbraw/zinc/46/13/87/1118461387.db2.gz HPJZBIKGERPDJE-LLVKDONJSA-N 0 2 290.413 3.747 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)Cc2cccs2)n1 ZINC000177771002 1118461389 /nfs/dbraw/zinc/46/13/89/1118461389.db2.gz HPJZBIKGERPDJE-LLVKDONJSA-N 0 2 290.413 3.747 20 30 CHEDLN C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000022728962 1118822428 /nfs/dbraw/zinc/82/24/28/1118822428.db2.gz CUMCITJWYUVEII-OOIIIRTPSA-N 0 2 284.315 3.523 20 30 CHEDLN Cc1nc2cc(N=Cc3cc([N+](=O)[O-])ccc3O)ccc2o1 ZINC000255755174 1119738748 /nfs/dbraw/zinc/73/87/48/1119738748.db2.gz LPTAZQSUXMFXQM-UHFFFAOYSA-N 0 2 297.270 3.501 20 30 CHEDLN N#CC(C(=O)[C@@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812656 1120549403 /nfs/dbraw/zinc/54/94/03/1120549403.db2.gz CBMUYJHUSKOUPQ-MNOVXSKESA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812656 1120549404 /nfs/dbraw/zinc/54/94/04/1120549404.db2.gz CBMUYJHUSKOUPQ-MNOVXSKESA-N 0 2 282.368 3.663 20 30 CHEDLN N#CC1=C(Nc2ccc3scnc3c2)SCC1=O ZINC001175915247 1121497867 /nfs/dbraw/zinc/49/78/67/1121497867.db2.gz PDMIPRLXPDLCRM-UHFFFAOYSA-N 0 2 273.342 3.679 20 30 CHEDLN N#CC(C(=O)C1(C(F)(F)F)CCCCC1)c1ccccn1 ZINC000850757174 1123300796 /nfs/dbraw/zinc/30/07/96/1123300796.db2.gz XGRUXOMIKIFWPZ-LLVKDONJSA-N 0 2 296.292 3.771 20 30 CHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CC23CCC3)s1 ZINC000797571436 1123305068 /nfs/dbraw/zinc/30/50/68/1123305068.db2.gz RHJTWWSATJIPLE-WDEREUQCSA-N 0 2 288.416 3.807 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)C2)n1 ZINC000776528275 1123353602 /nfs/dbraw/zinc/35/36/02/1123353602.db2.gz NEXCNPMAKYUWEM-IJLUTSLNSA-N 0 2 276.405 3.879 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000129532187 1125341659 /nfs/dbraw/zinc/34/16/59/1125341659.db2.gz LTQRCLAXWLPHPR-GQCTYLIASA-N 0 2 289.312 3.566 20 30 CHEDLN N#C[C@H](C(=O)c1ccoc1)c1nc(-c2ccccc2)cs1 ZINC000041533425 1125434132 /nfs/dbraw/zinc/43/41/32/1125434132.db2.gz ZHIHOFJODPTSAZ-CYBMUJFWSA-N 0 2 294.335 3.893 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000741465768 1129436786 /nfs/dbraw/zinc/43/67/86/1129436786.db2.gz YFXDNYOPPKVKAA-KBQQKMGSSA-N 0 2 288.347 3.688 20 30 CHEDLN CCCCCC[C@@H](C)NN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000743449077 1129524775 /nfs/dbraw/zinc/52/47/75/1129524775.db2.gz MNIFFNWRNODVED-GFCCVEGCSA-N 0 2 293.367 3.583 20 30 CHEDLN Cc1cc(C)cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000303252705 1129537147 /nfs/dbraw/zinc/53/71/47/1129537147.db2.gz BQYZHDPXQDWKJM-GQCTYLIASA-N 0 2 297.310 3.813 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCCC(F)(F)C2)c1 ZINC000800721403 1129885934 /nfs/dbraw/zinc/88/59/34/1129885934.db2.gz MKQMKQYKZOIJBD-VJCPFXPRSA-N 0 2 298.289 3.545 20 30 CHEDLN CC(=NN=c1ccc2ccccc2[nH]1)c1sccc1O ZINC000769763721 1129922531 /nfs/dbraw/zinc/92/25/31/1129922531.db2.gz HXYKUQTWXVXCOL-UHFFFAOYSA-N 0 2 283.356 3.838 20 30 CHEDLN CC(=NNc1c(C)cccc1F)c1sccc1O ZINC000769828388 1129927642 /nfs/dbraw/zinc/92/76/42/1129927642.db2.gz SVNDIUVQKHCTAD-UHFFFAOYSA-N 0 2 264.325 3.737 20 30 CHEDLN Cc1cccc(F)c1N=NC(C)C1SC=CC1=O ZINC000769828388 1129927643 /nfs/dbraw/zinc/92/76/43/1129927643.db2.gz SVNDIUVQKHCTAD-UHFFFAOYSA-N 0 2 264.325 3.737 20 30 CHEDLN C=C[C@H](CCC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234814193 1130677705 /nfs/dbraw/zinc/67/77/05/1130677705.db2.gz NPJGWPXZWJIRNV-GFCCVEGCSA-N 0 2 274.316 3.541 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC000796748256 1130928433 /nfs/dbraw/zinc/92/84/33/1130928433.db2.gz RBYJSAUKASNCFP-VHSXEESVSA-N 0 2 298.358 3.878 20 30 CHEDLN N#Cc1c(F)ccc(-c2cc(O)c(F)c(F)c2F)c1F ZINC001245639466 1131099816 /nfs/dbraw/zinc/09/98/16/1131099816.db2.gz SAQDNVROMKMNIV-UHFFFAOYSA-N 0 2 285.171 3.626 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc(C2CC2)cs1 ZINC000845613642 1131647052 /nfs/dbraw/zinc/64/70/52/1131647052.db2.gz BDMYJKJYOPTSSJ-WVWOOGAGSA-N 0 2 298.411 3.799 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000842677594 1132450918 /nfs/dbraw/zinc/45/09/18/1132450918.db2.gz FSEFYTVBOGVRBW-BFHYXJOUSA-N 0 2 288.416 3.844 20 30 CHEDLN N#C[C@H](C(=O)C=Cc1ccco1)c1nc(C2CC2)cs1 ZINC000842939808 1132478647 /nfs/dbraw/zinc/47/86/47/1132478647.db2.gz XXHVIYZQEPQKQV-FOQNGQEVSA-N 0 2 284.340 3.503 20 30 CHEDLN N#C[C@@H](C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1nc(C2CC2)cs1 ZINC000842940861 1132480865 /nfs/dbraw/zinc/48/08/65/1132480865.db2.gz KJRRHWSEKGGNDG-KZVDOYCCSA-N 0 2 286.400 3.633 20 30 CHEDLN N#C[C@H](C(=O)[C@@H]1CCC(F)(F)C1)c1nc(C2CC2)cs1 ZINC000842945378 1132481864 /nfs/dbraw/zinc/48/18/64/1132481864.db2.gz QGQURUKXUDLWHN-NXEZZACHSA-N 0 2 296.342 3.632 20 30 CHEDLN N#Cc1c(F)cccc1Nc1ccc(Cl)c(O)c1F ZINC001214799512 1132552684 /nfs/dbraw/zinc/55/26/84/1132552684.db2.gz WMENHWHIGBCFTC-UHFFFAOYSA-N 0 2 280.661 3.939 20 30 CHEDLN C=C[C@@H](Oc1cc(O)cc2occc(=O)c12)c1ccccc1 ZINC001233834661 1132687868 /nfs/dbraw/zinc/68/78/68/1132687868.db2.gz QLLXBSKEVXJWHE-OAHLLOKOSA-N 0 2 294.306 3.805 20 30 CHEDLN Cn1ccc2cc(NC3=C(C#N)C(=O)CS3)ccc21 ZINC001174097550 1132715040 /nfs/dbraw/zinc/71/50/40/1132715040.db2.gz MYSRNWCGIDXTQB-UHFFFAOYSA-N 0 2 269.329 3.561 20 30 CHEDLN N#CC1=C(Nc2ccccc2OC2CC2)SCC1=O ZINC001210835604 1134307737 /nfs/dbraw/zinc/30/77/37/1134307737.db2.gz YXWDEIGOXVCODG-UHFFFAOYSA-N 0 2 272.329 3.610 20 30 CHEDLN N#Cc1cccc(-c2noc(-c3ccc(O)c(Cl)c3)n2)c1 ZINC001215340862 1134618600 /nfs/dbraw/zinc/61/86/00/1134618600.db2.gz GDXGOGVDXGEFKT-UHFFFAOYSA-N 0 2 297.701 3.634 20 30 CHEDLN N#CC1=C(Nc2ccc(N)cc2C(F)(F)F)SCC1=O ZINC001216129459 1134787445 /nfs/dbraw/zinc/78/74/45/1134787445.db2.gz HYSHGJAWUIFSSS-UHFFFAOYSA-N 0 2 299.277 3.670 20 30 CHEDLN CC#CC[C@H](CC)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225885324 1135633896 /nfs/dbraw/zinc/63/38/96/1135633896.db2.gz LEHSGVJLLHUFCH-ZETCQYMHSA-N 0 2 276.229 3.519 20 30 CHEDLN N#CC(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 ZINC000041536138 329565991 /nfs/dbraw/zinc/56/59/91/329565991.db2.gz MFFNYARQYWIYNW-LBPRGKRZSA-N 0 2 294.335 3.893 20 30 CHEDLN C=CC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000450340061 330973523 /nfs/dbraw/zinc/97/35/23/330973523.db2.gz DIRBSXVVVLDFAQ-UHFFFAOYSA-N 0 2 274.147 3.850 20 30 CHEDLN C=CCC[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccccc1 ZINC001588778599 984161516 /nfs/dbraw/zinc/16/15/16/984161516.db2.gz GFVOCRIHGGEHFS-OAHLLOKOSA-N 0 2 282.343 3.899 20 30 CHEDLN N#Cc1ccc(Nc2ccc(Cl)c(O)c2F)c(O)c1 ZINC001214803669 1134575174 /nfs/dbraw/zinc/57/51/74/1134575174.db2.gz CAVQBSUEWOWTQC-UHFFFAOYSA-N 0 2 278.670 3.506 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2coc3ccccc32)n1 ZINC000073087290 1125636786 /nfs/dbraw/zinc/63/67/86/1125636786.db2.gz CEEHXKIDJZUNAQ-LLVKDONJSA-N 0 2 282.324 3.688 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2coc3ccccc32)n1 ZINC000073087290 1125636790 /nfs/dbraw/zinc/63/67/90/1125636790.db2.gz CEEHXKIDJZUNAQ-LLVKDONJSA-N 0 2 282.324 3.688 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC000796748254 1130928210 /nfs/dbraw/zinc/92/82/10/1130928210.db2.gz RBYJSAUKASNCFP-UWVGGRQHSA-N 0 2 298.358 3.878 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)=C(O)C=C2CCC2)s1 ZINC000797572621 1130994108 /nfs/dbraw/zinc/99/41/08/1130994108.db2.gz DQGQHGUNDDVXAR-NSHDSACASA-N 0 2 274.389 3.727 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c(O)c1 ZINC000156704248 1127166075 /nfs/dbraw/zinc/16/60/75/1127166075.db2.gz MGRUEBAEYSTWIX-HWKANZROSA-N 0 2 269.325 3.530 20 30 CHEDLN N#C[C@@H](C(=O)C1=CCCC1)c1nc2ccccc2s1 ZINC000761000488 1127361820 /nfs/dbraw/zinc/36/18/20/1127361820.db2.gz CUYASIFZNOUHBY-NSHDSACASA-N 0 2 268.341 3.583 20 30 CHEDLN N#CC(=C(O)C1=CCCC1)c1nc2ccccc2s1 ZINC000761000488 1127361824 /nfs/dbraw/zinc/36/18/24/1127361824.db2.gz CUYASIFZNOUHBY-NSHDSACASA-N 0 2 268.341 3.583 20 30 CHEDLN C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000920944224 1128696304 /nfs/dbraw/zinc/69/63/04/1128696304.db2.gz JVBJVKPVMBTROX-JNNKLVPLSA-N 0 2 276.317 3.542 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C(C)(C)CC(C)C)n1 ZINC000084692350 1118399634 /nfs/dbraw/zinc/39/96/34/1118399634.db2.gz DPZCSEDECVBWMM-LLVKDONJSA-N 0 2 264.394 3.700 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C2CCCCCCC2)n1 ZINC000076763292 1128788399 /nfs/dbraw/zinc/78/83/99/1128788399.db2.gz PUTPIBUVFBGEGH-ZDUSSCGKSA-N 0 2 276.405 3.988 20 30 CHEDLN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3scnc3c2)c1 ZINC000255591919 1119528735 /nfs/dbraw/zinc/52/87/35/1119528735.db2.gz BCAIJERMKDTJEF-UHFFFAOYSA-N 0 2 299.311 3.661 20 30 CHEDLN Cc1ccc(-c2csc(C(C#N)C(=O)CCF)n2)cc1 ZINC000892512414 1119822183 /nfs/dbraw/zinc/82/21/83/1119822183.db2.gz FSVLADDGQHZIPH-GFCCVEGCSA-N 0 2 288.347 3.654 20 30 CHEDLN Cc1ccc(-c2csc([C@H](C#N)C(=O)CCF)n2)cc1 ZINC000892512414 1119822186 /nfs/dbraw/zinc/82/21/86/1119822186.db2.gz FSVLADDGQHZIPH-GFCCVEGCSA-N 0 2 288.347 3.654 20 30 CHEDLN CCOc1cc(F)ccc1NC1=C(C#N)C(=O)CS1 ZINC001175286573 1121254540 /nfs/dbraw/zinc/25/45/40/1121254540.db2.gz PHVPMVKUKKVOJE-UHFFFAOYSA-N 0 2 278.308 3.607 20 30 CHEDLN N#CC1=C(Nc2cccc(C3CC3)c2)SCC1=O ZINC001176724546 1121679970 /nfs/dbraw/zinc/67/99/70/1121679970.db2.gz HXNRHNKFBDMDMM-UHFFFAOYSA-N 0 2 256.330 3.946 20 30 CHEDLN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Cl)o3)[nH]c21 ZINC000345371434 1121877212 /nfs/dbraw/zinc/87/72/12/1121877212.db2.gz JXVKWMVCFYREDS-SECBINFHSA-N 0 2 299.717 3.608 20 30 CHEDLN C[C@@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 ZINC000733081221 1121956222 /nfs/dbraw/zinc/95/62/22/1121956222.db2.gz RGQGDJYWDWDXIZ-JFNAFIFTSA-N 0 2 276.336 3.544 20 30 CHEDLN C=CCN(C(=O)c1ccc(O)c(F)c1F)C1CCCCC1 ZINC001192840330 1122659958 /nfs/dbraw/zinc/65/99/58/1122659958.db2.gz RMMBQYYSTDZKES-UHFFFAOYSA-N 0 2 295.329 3.631 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2sc(C)cc2C)n1 ZINC000633894548 1129093493 /nfs/dbraw/zinc/09/34/93/1129093493.db2.gz MFNGENUCOJZDFH-JTQLQIEISA-N 0 2 276.386 3.620 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@H](C)c2ccccc2F)n1 ZINC000109038234 1123235965 /nfs/dbraw/zinc/23/59/65/1123235965.db2.gz UAAAVLXQMHWPBP-ZYHUDNBSSA-N 0 2 288.347 3.571 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000850736803 1123297335 /nfs/dbraw/zinc/29/73/35/1123297335.db2.gz NJZXQXHJHVGHIH-RQJABVFESA-N 0 2 288.416 3.844 20 30 CHEDLN C=C1CC(C)(c2noc(-c3cccc(Cl)c3O)n2)C1 ZINC000896916503 1123777520 /nfs/dbraw/zinc/77/75/20/1123777520.db2.gz XYPZHRKHWVRFFU-UHFFFAOYSA-N 0 2 276.723 3.703 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2sccc2C(F)F)n1 ZINC000873495335 1124772772 /nfs/dbraw/zinc/77/27/72/1124772772.db2.gz KCVFORPVFWODFS-MRVPVSSYSA-N 0 2 298.339 3.941 20 30 CHEDLN Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000129506923 1125340918 /nfs/dbraw/zinc/34/09/18/1125340918.db2.gz FXWHJCYQVOVPGU-WEVVVXLNSA-N 0 2 283.283 3.505 20 30 CHEDLN O=C1c2ccccc2CC/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000129509892 1125340945 /nfs/dbraw/zinc/34/09/45/1125340945.db2.gz MEENLJVVTVXIMR-UKTHLTGXSA-N 0 2 295.294 3.513 20 30 CHEDLN N#C[C@H](C(=O)c1cc2cc(Cl)ccc2o1)c1ccccn1 ZINC000041492818 1125433521 /nfs/dbraw/zinc/43/35/21/1125433521.db2.gz QPUVSANPLLNAEN-LBPRGKRZSA-N 0 2 296.713 3.971 20 30 CHEDLN O=C(/C=C\c1ccccc1)c1ccc(O)c(Cl)c1 ZINC000725274069 1129852984 /nfs/dbraw/zinc/85/29/84/1129852984.db2.gz VBJPFIJLQXICEF-VURMDHGXSA-N 0 2 258.704 3.942 20 30 CHEDLN CCc1cnc(/C=C\C(=O)c2ccc(O)c(Cl)c2)s1 ZINC000768759041 1129872601 /nfs/dbraw/zinc/87/26/01/1129872601.db2.gz WNZMSHBGOGNZMO-WAYWQWQTSA-N 0 2 293.775 3.961 20 30 CHEDLN CC(=NNc1ccc(F)cc1C)c1sccc1O ZINC000769800031 1129926308 /nfs/dbraw/zinc/92/63/08/1129926308.db2.gz SKMCJYQNVWESGR-UHFFFAOYSA-N 0 2 264.325 3.737 20 30 CHEDLN N#Cc1cc2c(cccc2-c2cccc(S)c2)[nH]1 ZINC001242867482 1130110425 /nfs/dbraw/zinc/11/04/25/1130110425.db2.gz PRVVZXYEILXRGI-UHFFFAOYSA-N 0 2 250.326 3.995 20 30 CHEDLN C[C@H](c1ccccc1)[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000746815358 1130253392 /nfs/dbraw/zinc/25/33/92/1130253392.db2.gz HVBYJULAJLQNDT-ISIGILQNSA-N 0 2 298.342 3.912 20 30 CHEDLN Oc1c(Cl)cc(Cl)cc1C=NOC1CCC1 ZINC000812238290 1130677445 /nfs/dbraw/zinc/67/74/45/1130677445.db2.gz RBEVFYDXSAYWHB-UHFFFAOYSA-N 0 2 260.120 3.602 20 30 CHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CC2CC(F)(F)C2)n1 ZINC000835200120 1131791200 /nfs/dbraw/zinc/79/12/00/1131791200.db2.gz FZOCJPMGPPHESO-JTQLQIEISA-N 0 2 298.358 3.878 20 30 CHEDLN Cc1csc(C(C#N)C(=O)[C@]2(C)CCc3ccccc32)n1 ZINC000842678193 1132450509 /nfs/dbraw/zinc/45/05/09/1132450509.db2.gz ZWNRWKFWRHJMSG-CXAGYDPISA-N 0 2 296.395 3.532 20 30 CHEDLN N#C[C@H](C(=O)C1CC2(CCC2)C1)c1nc(C2CC2)cs1 ZINC000842942257 1132480417 /nfs/dbraw/zinc/48/04/17/1132480417.db2.gz IBKUEBOUDPWBMP-GFCCVEGCSA-N 0 2 286.400 3.777 20 30 CHEDLN C=C[C@H](Oc1cc(O)cc2occc(=O)c12)c1ccccc1 ZINC001233834660 1132687548 /nfs/dbraw/zinc/68/75/48/1132687548.db2.gz QLLXBSKEVXJWHE-HNNXBMFYSA-N 0 2 294.306 3.805 20 30 CHEDLN C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)cc(C)c2C#N)C1 ZINC001233915708 1132697165 /nfs/dbraw/zinc/69/71/65/1132697165.db2.gz YSOLCMHCPPQURE-HIFRSBDPSA-N 0 2 284.359 3.647 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1C#N ZINC001233919266 1132698717 /nfs/dbraw/zinc/69/87/17/1132698717.db2.gz CKWAPZSMXVIGBF-MELADBBJSA-N 0 2 286.375 3.705 20 30 CHEDLN C=CCCC(C)(C)NC(=O)c1cc(F)cc(Cl)c1O ZINC001161683858 1133016471 /nfs/dbraw/zinc/01/64/71/1133016471.db2.gz TZEHTYTTWYEKSM-UHFFFAOYSA-N 0 2 285.746 3.659 20 30 CHEDLN CC(C)Oc1ccc(NC2=C(C#N)C(=O)CS2)cc1F ZINC001209997028 1134119393 /nfs/dbraw/zinc/11/93/93/1134119393.db2.gz QANCXLLSZAHAQD-UHFFFAOYSA-N 0 2 292.335 3.995 20 30 CHEDLN CCCOc1ccccc1NC1=C(C#N)C(=O)CS1 ZINC001211380785 1134413554 /nfs/dbraw/zinc/41/35/54/1134413554.db2.gz CAALRUDOBJCDLH-UHFFFAOYSA-N 0 2 274.345 3.858 20 30 CHEDLN COc1cc(C#N)ccc1Nc1ccc(Cl)c(O)c1F ZINC001214801877 1134575184 /nfs/dbraw/zinc/57/51/84/1134575184.db2.gz SBFRSXKTBSMBOC-UHFFFAOYSA-N 0 2 292.697 3.809 20 30 CHEDLN CC(C)(C)c1nnc(Nc2cccc(Cl)c2C#N)o1 ZINC001216123868 1134784644 /nfs/dbraw/zinc/78/46/44/1134784644.db2.gz GDMOZOJQSLTLPK-UHFFFAOYSA-N 0 2 276.727 3.636 20 30 CHEDLN Cc1cccc(-c2noc(-c3cccc(C#N)c3O)n2)c1C ZINC001216979550 1134956443 /nfs/dbraw/zinc/95/64/43/1134956443.db2.gz BWHOBRLDEBTXCG-UHFFFAOYSA-N 0 2 291.310 3.598 20 30 CHEDLN Cc1cc(=O)[nH]c(O[C@H](C)c2csc(Cl)c2)c1C#N ZINC001226222049 1135673643 /nfs/dbraw/zinc/67/36/43/1135673643.db2.gz TZTTTYOZXXUCNG-MRVPVSSYSA-N 0 2 294.763 3.822 20 30 CHEDLN C=CCC[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccccc1 ZINC001588778598 984161329 /nfs/dbraw/zinc/16/13/29/984161329.db2.gz GFVOCRIHGGEHFS-HNNXBMFYSA-N 0 2 282.343 3.899 20 30 CHEDLN Cc1csc(C(C#N)C(=O)c2coc3ccccc32)n1 ZINC000073087289 1125636391 /nfs/dbraw/zinc/63/63/91/1125636391.db2.gz CEEHXKIDJZUNAQ-NSHDSACASA-N 0 2 282.324 3.688 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)c2coc3ccccc32)n1 ZINC000073087289 1125636397 /nfs/dbraw/zinc/63/63/97/1125636397.db2.gz CEEHXKIDJZUNAQ-NSHDSACASA-N 0 2 282.324 3.688 20 30 CHEDLN CC[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C1CCCCC1 ZINC001233919329 1128065821 /nfs/dbraw/zinc/06/58/21/1128065821.db2.gz GTYIKQUPKFOSFC-AWEZNQCLSA-N 0 2 274.364 3.705 20 30 CHEDLN CC(C)(C)c1cnc(C(C#N)C(=O)C2(CF)CCC2)s1 ZINC001122975364 1128307927 /nfs/dbraw/zinc/30/79/27/1128307927.db2.gz OXHBWIFJOSBIQY-SNVBAGLBSA-N 0 2 294.395 3.757 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C[C@H](C)c2ccccc2)n1 ZINC000041521808 1128546502 /nfs/dbraw/zinc/54/65/02/1128546502.db2.gz QQSCGQRJELOZJV-FZMZJTMJSA-N 0 2 284.384 3.822 20 30 CHEDLN Cc1cccc(C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041545228 1128547729 /nfs/dbraw/zinc/54/77/29/1128547729.db2.gz TZUPRMKQQCCFJB-ZDUSSCGKSA-N 0 2 276.295 3.626 20 30 CHEDLN C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000920944225 1128696289 /nfs/dbraw/zinc/69/62/89/1128696289.db2.gz JVBJVKPVMBTROX-ZJTXEKFPSA-N 0 2 276.317 3.542 20 30 CHEDLN N#CC(C(=O)CCC1CCC1)c1nc2ccccc2o1 ZINC000175123125 1128717426 /nfs/dbraw/zinc/71/74/26/1128717426.db2.gz ORHXODGXPFCCTN-GFCCVEGCSA-N 0 2 268.316 3.584 20 30 CHEDLN CC(C)c1csc(C(C#N)C(=O)c2ccc(F)s2)n1 ZINC000659115207 1120068046 /nfs/dbraw/zinc/06/80/46/1120068046.db2.gz RAGFWEOIMNSIKN-MRVPVSSYSA-N 0 2 294.376 3.957 20 30 CHEDLN Cc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)s1 ZINC000122226752 1120073838 /nfs/dbraw/zinc/07/38/38/1120073838.db2.gz UTOZQMHPPBGMMH-CYANDVJASA-N 0 2 290.344 3.850 20 30 CHEDLN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041546082 1120284044 /nfs/dbraw/zinc/28/40/44/1120284044.db2.gz OEYKUUMHFRSKDR-CYBMUJFWSA-N 0 2 276.295 3.626 20 30 CHEDLN N#CC(C(=O)[C@@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812660 1120549546 /nfs/dbraw/zinc/54/95/46/1120549546.db2.gz CBMUYJHUSKOUPQ-QWRGUYRKSA-N 0 2 282.368 3.663 20 30 CHEDLN N#C[C@@H](C(=O)[C@@H]1CC12CCC2)c1nc2ccccc2s1 ZINC000759812660 1120549548 /nfs/dbraw/zinc/54/95/48/1120549548.db2.gz CBMUYJHUSKOUPQ-QWRGUYRKSA-N 0 2 282.368 3.663 20 30 CHEDLN COc1cc(NC2=C(C#N)C(=O)CS2)ccc1Cl ZINC001175774053 1121462215 /nfs/dbraw/zinc/46/22/15/1121462215.db2.gz NPJJZVJVMMEOLG-UHFFFAOYSA-N 0 2 280.736 3.731 20 30 CHEDLN N#Cc1ccc(F)cc1Nc1c(F)cc(F)c(O)c1F ZINC001176671340 1121673029 /nfs/dbraw/zinc/67/30/29/1121673029.db2.gz AJAPGUMOVXIPFJ-UHFFFAOYSA-N 0 2 282.196 3.564 20 30 CHEDLN Cc1cccc(Nc2c(F)cc(F)c(O)c2F)c1C#N ZINC001176671797 1121673556 /nfs/dbraw/zinc/67/35/56/1121673556.db2.gz PJKYQHCDUCQHBD-UHFFFAOYSA-N 0 2 278.233 3.733 20 30 CHEDLN Cc1cc(C#N)c(Nc2c(F)cc(F)c(O)c2F)cc1F ZINC001176673509 1121673706 /nfs/dbraw/zinc/67/37/06/1121673706.db2.gz IQIAOYHGCLJYHB-UHFFFAOYSA-N 0 2 296.223 3.872 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)[C@@H](C)CC(C)(C)C)n1 ZINC000773942836 1122075898 /nfs/dbraw/zinc/07/58/98/1122075898.db2.gz HVVHNUFVDVCDJI-GXSJLCMTSA-N 0 2 264.394 3.700 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)c2ccccc2)n1 ZINC000048520402 1122717214 /nfs/dbraw/zinc/71/72/14/1122717214.db2.gz IAPRHWCWKZATMB-CYBMUJFWSA-N 0 2 284.384 3.606 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C2[C@H]3CCCCCC[C@H]23)n1 ZINC000850736805 1123297093 /nfs/dbraw/zinc/29/70/93/1123297093.db2.gz NJZXQXHJHVGHIH-RWMBFGLXSA-N 0 2 288.416 3.844 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C)n1 ZINC000850737049 1123297467 /nfs/dbraw/zinc/29/74/67/1123297467.db2.gz PQWIKJZRBSYIKM-ZNMIVQPWSA-N 0 2 296.395 3.740 20 30 CHEDLN C=CCCC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC000855299265 1123514177 /nfs/dbraw/zinc/51/41/77/1123514177.db2.gz JPMAYQNMXZNMOK-SNVBAGLBSA-N 0 2 281.293 3.530 20 30 CHEDLN C=CCCC1(CNC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC000855299265 1123514180 /nfs/dbraw/zinc/51/41/80/1123514180.db2.gz JPMAYQNMXZNMOK-SNVBAGLBSA-N 0 2 281.293 3.530 20 30 CHEDLN C=CCCONC(=O)CSc1ccc(C(C)C)cc1 ZINC000856030916 1123545188 /nfs/dbraw/zinc/54/51/88/1123545188.db2.gz WVWZBSNNLKDISN-UHFFFAOYSA-N 0 2 279.405 3.526 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)c2cc(C)cc(Cl)c2)n1 ZINC000336298390 1123757613 /nfs/dbraw/zinc/75/76/13/1123757613.db2.gz CKLSVQLIRJZECD-GFCCVEGCSA-N 0 2 290.775 3.903 20 30 CHEDLN Cc1csc(C(C#N)C(=O)C(C)(C)Cc2ccccc2)n1 ZINC000118141007 1123773969 /nfs/dbraw/zinc/77/39/69/1123773969.db2.gz DSJFLLUHHMUJMK-AWEZNQCLSA-N 0 2 298.411 3.897 20 30 CHEDLN Cc1csc([C@@H](C#N)C(=O)C(C)(C)Cc2ccccc2)n1 ZINC000118141007 1123773972 /nfs/dbraw/zinc/77/39/72/1123773972.db2.gz DSJFLLUHHMUJMK-AWEZNQCLSA-N 0 2 298.411 3.897 20 30 CHEDLN CC[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000026302438 1125363855 /nfs/dbraw/zinc/36/38/55/1125363855.db2.gz LTYXEMVHKWAYLO-HTMJNSLASA-N 0 2 298.342 3.913 20 30 CHEDLN C[C@H]1CC(/N=C\c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)C1 ZINC000739426357 1129403979 /nfs/dbraw/zinc/40/39/79/1129403979.db2.gz KMNIKXLAHOSRIV-AFNPSIPYSA-N 0 2 276.336 3.544 20 30 CHEDLN N#Cc1c(F)c(F)c(-c2ccc(F)cc2O)c(F)c1F ZINC001242219073 1129690690 /nfs/dbraw/zinc/69/06/90/1129690690.db2.gz WNUYJSANMBQMND-UHFFFAOYSA-N 0 2 285.171 3.626 20 30 CHEDLN Cc1csc([C@H](C#N)C(=O)C[C@H]2CCc3ccccc32)n1 ZINC000115901045 1129843610 /nfs/dbraw/zinc/84/36/10/1129843610.db2.gz HLXTXRWCPCIPQX-UKRRQHHQSA-N 0 2 296.395 3.748 20 30 CHEDLN C=C[C@@H](CCCC)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234822640 1130678708 /nfs/dbraw/zinc/67/87/08/1130678708.db2.gz YDDHLQGKRAVNOL-ZDUSSCGKSA-N 0 2 288.343 3.931 20 30 CHEDLN Cc1nc(F)ccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 ZINC000782352956 1130774309 /nfs/dbraw/zinc/77/43/09/1130774309.db2.gz XUZPIDALZFXBIG-GORDUTHDSA-N 0 2 291.709 3.784 20 30 CHEDLN Cc1nc(F)ccc1/C=C\C(=O)c1cc(Cl)ccc1O ZINC000782348487 1130775265 /nfs/dbraw/zinc/77/52/65/1130775265.db2.gz RXAZOUJCKQPPTA-DJWKRKHSSA-N 0 2 291.709 3.784 20 30 CHEDLN CC(C)[C@@H](F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000784507156 1130908272 /nfs/dbraw/zinc/90/82/72/1130908272.db2.gz RIJIDQKDMKDFDM-BXKDBHETSA-N 0 2 294.326 3.606 20 30 CHEDLN CC(C)c1csc([C@H](C#N)C(=O)C2CC(C)(C)C2)n1 ZINC000797094045 1130960415 /nfs/dbraw/zinc/96/04/15/1130960415.db2.gz OOFQOFVZERGSRN-LLVKDONJSA-N 0 2 276.405 3.879 20 30 CHEDLN N#CC(C(=O)[C@H]1Cc2ccccc21)c1nc(C2CC2)cs1 ZINC000842942124 1132480651 /nfs/dbraw/zinc/48/06/51/1132480651.db2.gz WFZBLCUXUKVWOC-KBPBESRZSA-N 0 2 294.379 3.537 20 30 CHEDLN N#CC1=C(Nc2cnc3ccccc3c2)SCC1=O ZINC001174000727 1132672127 /nfs/dbraw/zinc/67/21/27/1132672127.db2.gz GQHJDEDLTSTCOF-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN Cc1cc(=O)[nH]c(OC2CCC(C(C)C)CC2)c1C#N ZINC001233915717 1132696899 /nfs/dbraw/zinc/69/68/99/1132696899.db2.gz ZOZSJNPBFODGNQ-UHFFFAOYSA-N 0 2 274.364 3.561 20 30 CHEDLN N#CC1=C(Nc2cncc3ccccc32)SCC1=O ZINC001174100262 1132717362 /nfs/dbraw/zinc/71/73/62/1132717362.db2.gz WZKMIAXWYPKCMZ-UHFFFAOYSA-N 0 2 267.313 3.617 20 30 CHEDLN Cc1cc(C#N)cc(C#N)c1Nc1cccc(O)c1Cl ZINC001210854565 1134313580 /nfs/dbraw/zinc/31/35/80/1134313580.db2.gz FHFUHTRHPIOJTJ-UHFFFAOYSA-N 0 2 283.718 3.841 20 30 CHEDLN CCOc1cc(NC2=C(C#N)C(=O)CS2)ccc1C ZINC001214323135 1134528884 /nfs/dbraw/zinc/52/88/84/1134528884.db2.gz OFDWISVPJLSJGI-UHFFFAOYSA-N 0 2 274.345 3.776 20 30 CHEDLN CC(C)n1ncc(C#N)c1Nc1ccc(Cl)c(O)c1F ZINC001214796178 1134573894 /nfs/dbraw/zinc/57/38/94/1134573894.db2.gz HZUHUGZALZBCSA-UHFFFAOYSA-N 0 2 294.717 3.577 20 30 CHEDLN N#CC1=C(Nc2cc(Cl)cc3n[nH]cc32)SCC1=O ZINC001215858277 1134704365 /nfs/dbraw/zinc/70/43/65/1134704365.db2.gz KVTLFOSXLGMKTO-UHFFFAOYSA-N 0 2 290.735 3.599 20 30 CHEDLN CCc1cccc(-c2noc(-c3ccc(C#N)cc3O)n2)c1 ZINC001217038992 1134958865 /nfs/dbraw/zinc/95/88/65/1134958865.db2.gz MUAYXAUOJGLDAJ-UHFFFAOYSA-N 0 2 291.310 3.543 20 30 CHEDLN C=C[C@H](CCCCC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620920 1135598248 /nfs/dbraw/zinc/59/82/48/1135598248.db2.gz XVRVLQRNGJMPRU-LLVKDONJSA-N 0 2 265.309 3.814 20 30 CHEDLN C=C(C)C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(=C)C ZINC001225625374 1135599034 /nfs/dbraw/zinc/59/90/34/1135599034.db2.gz JWQGDHBFCVZVCO-CYBMUJFWSA-N 0 2 263.293 3.590 20 30 CHEDLN C[C@H](C#N)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000347121250 226034497 /nfs/dbraw/zinc/03/44/97/226034497.db2.gz ZAHXYIWOQRKJJS-CYBMUJFWSA-N 0 2 296.395 3.614 20 30 CHEDLN N#C[C@H](C(=O)c1cc[nH]c1C1CC1)c1nc2ccccc2o1 ZINC000340367772 263119990 /nfs/dbraw/zinc/11/99/90/263119990.db2.gz ZTLLXQSUSVKHPP-GFCCVEGCSA-N 0 2 291.310 3.523 20 30 CHEDLN Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(C)o1 ZINC000080457657 264395711 /nfs/dbraw/zinc/39/57/11/264395711.db2.gz UVESXNWEIMEPRZ-LBPRGKRZSA-N 0 2 288.372 3.966 20 30 CHEDLN CCc1sc(C(=O)C(C#N)c2nc(C)cs2)cc1C ZINC000041521520 329565529 /nfs/dbraw/zinc/56/55/29/329565529.db2.gz GFOGWFWKLILNAI-SNVBAGLBSA-N 0 2 290.413 3.874 20 30 CHEDLN