smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccc4c(c2)OCO4)O3)C1 ZINC000020624632 525210074 /nfs/dbraw/zinc/21/00/74/525210074.db2.gz UUVNITKCSVJHDM-KGWFAZQESA-N 1 2 407.466 4.215 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCCCC3)C2=O)c1OC ZINC000020611576 525767866 /nfs/dbraw/zinc/76/78/66/525767866.db2.gz FOZVYOUQOFKHMO-STZFKDTASA-N 1 2 409.482 4.402 50 30 HIEALO [NH2+]=C(CSc1ccc(C(F)(F)F)cn1)NOC(=O)Nc1cccc(Cl)c1 ZINC000004365243 557547325 /nfs/dbraw/zinc/54/73/25/557547325.db2.gz NZBWIVCRTNDLMC-UHFFFAOYSA-N 1 2 404.801 4.367 50 30 HIEALO COc1ccc(C)cc1CO[NH+]=C(N)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000062582056 559273854 /nfs/dbraw/zinc/27/38/54/559273854.db2.gz KPLTXVADFBXRLY-UHFFFAOYSA-N 1 2 400.482 4.239 50 30 HIEALO O=[N+]([O-])c1cc(/C=[NH+]/OCc2ccc(C(F)(F)F)cc2)ccc1N1CCOCC1 ZINC000004052566 568936553 /nfs/dbraw/zinc/93/65/53/568936553.db2.gz XDBORIFNKIMPDS-FSJBWODESA-N 1 2 409.364 4.001 50 30 HIEALO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c(OC)c1 ZINC000012814647 568989181 /nfs/dbraw/zinc/98/91/81/568989181.db2.gz SGEASTILRDGIAM-UHFFFAOYSA-N 1 2 424.545 4.179 50 30 HIEALO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c(OC)c1 ZINC000012814647 568989182 /nfs/dbraw/zinc/98/91/82/568989182.db2.gz SGEASTILRDGIAM-UHFFFAOYSA-N 1 2 424.545 4.179 50 30 HIEALO C=CC[NH+]1CCN(c2nn3c(nc(-c4cccc(C)c4)c3NC(C)(C)C)s2)CC1 ZINC000064452032 569062880 /nfs/dbraw/zinc/06/28/80/569062880.db2.gz NGONCJXFEKYWNV-UHFFFAOYSA-N 1 2 410.591 4.285 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c1 ZINC000036066001 524799998 /nfs/dbraw/zinc/79/99/98/524799998.db2.gz MOACJKZREYOZJW-NSMHLIOHSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@H+]3CCCC[C@@H]3C)C2=O)c1 ZINC000036066001 524800006 /nfs/dbraw/zinc/80/00/06/524800006.db2.gz MOACJKZREYOZJW-NSMHLIOHSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCCCC3)C2=O)c1 ZINC000020648993 524800060 /nfs/dbraw/zinc/80/00/60/524800060.db2.gz RFWBWJSYZAQCRP-HMAPJEAMSA-N 1 2 409.482 4.402 50 30 HIEALO COc1cccc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CC[N@@H+](C)C3)c1O ZINC000033330239 525776245 /nfs/dbraw/zinc/77/62/45/525776245.db2.gz JUVNZBWRLANMRB-SSDVNMTOSA-N 1 2 402.516 4.156 50 30 HIEALO COc1cccc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CC[N@H+](C)C3)c1O ZINC000033330239 525776251 /nfs/dbraw/zinc/77/62/51/525776251.db2.gz JUVNZBWRLANMRB-SSDVNMTOSA-N 1 2 402.516 4.156 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000013654487 558851045 /nfs/dbraw/zinc/85/10/45/558851045.db2.gz PQNULEWZBCSFOT-ZOJNTWNKSA-N 1 2 421.493 4.273 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000013654487 558851047 /nfs/dbraw/zinc/85/10/47/558851047.db2.gz PQNULEWZBCSFOT-ZOJNTWNKSA-N 1 2 421.493 4.273 50 30 HIEALO N#Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021357205 568688234 /nfs/dbraw/zinc/68/82/34/568688234.db2.gz OGUDJOUDYXTVBE-UHFFFAOYSA-N 1 2 402.479 4.021 50 30 HIEALO Cc1c(/[NH+]=C2\NC3(CCCCC3)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000001212627 568829760 /nfs/dbraw/zinc/82/97/60/568829760.db2.gz MFOCWXWVYRRDAS-UHFFFAOYSA-N 1 2 400.526 4.411 50 30 HIEALO C=CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C)cc4)c3NC3CCCC3)s2)CC1 ZINC000064746741 518868515 /nfs/dbraw/zinc/86/85/15/518868515.db2.gz NKPCNSQZKNLFHR-UHFFFAOYSA-N 1 2 422.602 4.429 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCCCC3)C2=O)cc1OC ZINC000020663593 523420820 /nfs/dbraw/zinc/42/08/20/523420820.db2.gz DTRFCBACBIMUGG-HMAPJEAMSA-N 1 2 409.482 4.402 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCC(C)CC3)C2=O)c1OC ZINC000020610677 525767394 /nfs/dbraw/zinc/76/73/94/525767394.db2.gz XLKBYANDBOHHII-BKUYFWCQSA-N 1 2 409.482 4.258 50 30 HIEALO Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019771423 558279953 /nfs/dbraw/zinc/27/99/53/558279953.db2.gz AFTWKQIYGDIQGK-PCLIKHOPSA-N 1 2 407.949 4.294 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000013653578 558558367 /nfs/dbraw/zinc/55/83/67/558558367.db2.gz DAVAYDQMGPVISK-QZDMBBGESA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000013653578 558558368 /nfs/dbraw/zinc/55/83/68/558558368.db2.gz DAVAYDQMGPVISK-QZDMBBGESA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000013653585 558850910 /nfs/dbraw/zinc/85/09/10/558850910.db2.gz CGJFEVFJSCQNMC-QZDMBBGESA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000013653585 558850912 /nfs/dbraw/zinc/85/09/12/558850912.db2.gz CGJFEVFJSCQNMC-QZDMBBGESA-N 1 2 409.482 4.400 50 30 HIEALO CCOc1ccc(/C=C/C(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1OC ZINC000007586394 560635719 /nfs/dbraw/zinc/63/57/19/560635719.db2.gz YXNRGOFEOAWEJZ-UXBLZVDNSA-N 1 2 412.505 4.271 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875930 560830669 /nfs/dbraw/zinc/83/06/69/560830669.db2.gz JBSITHXZPKMWGY-NHFXJNLRSA-N 1 2 421.884 4.049 50 30 HIEALO O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000102875930 560830670 /nfs/dbraw/zinc/83/06/70/560830670.db2.gz JBSITHXZPKMWGY-NHFXJNLRSA-N 1 2 421.884 4.049 50 30 HIEALO Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]Cc1cccc(C(F)(F)F)c1 ZINC000003833270 568868762 /nfs/dbraw/zinc/86/87/62/568868762.db2.gz GBVUHUFJZWEFST-FOKLQQMPSA-N 1 2 404.348 4.020 50 30 HIEALO C=CCC1(CC=C)CCC[N@H+]1Cc1cnc(S(=O)(=O)CC)n1Cc1ccccc1 ZINC000012317229 845867284 /nfs/dbraw/zinc/86/72/84/845867284.db2.gz SGSZYVCSFHKBQD-UHFFFAOYSA-N 1 2 413.587 4.212 50 30 HIEALO C=CCC1(CC=C)CCC[N@@H+]1Cc1cnc(S(=O)(=O)CC)n1Cc1ccccc1 ZINC000012317229 845867287 /nfs/dbraw/zinc/86/72/87/845867287.db2.gz SGSZYVCSFHKBQD-UHFFFAOYSA-N 1 2 413.587 4.212 50 30 HIEALO C=C(C)CN(CC)C(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000022831261 518594143 /nfs/dbraw/zinc/59/41/43/518594143.db2.gz QCEYHJSPYPJZBO-OAHLLOKOSA-N 1 2 421.998 4.060 50 30 HIEALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781314 557820890 /nfs/dbraw/zinc/82/08/90/557820890.db2.gz QSZFWEFCOAYFHS-AREMUKBSSA-N 1 2 424.548 4.364 50 30 HIEALO Cc1ccc(Nc2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000022785861 557820932 /nfs/dbraw/zinc/82/09/32/557820932.db2.gz DVJDLYFJKJYVEF-UHFFFAOYSA-N 1 2 403.555 4.385 50 30 HIEALO CC[NH+](CC)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000019794477 558283721 /nfs/dbraw/zinc/28/37/21/558283721.db2.gz RXKGPGFJCPFQFN-IBGZPJMESA-N 1 2 416.880 4.357 50 30 HIEALO Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(OCC#N)cc4)c3)[nH+]c12 ZINC000010999233 558647503 /nfs/dbraw/zinc/64/75/03/558647503.db2.gz CEHNLODVOCBDII-UHFFFAOYSA-N 1 2 412.449 4.376 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102880490 560833798 /nfs/dbraw/zinc/83/37/98/560833798.db2.gz RRPFNDADZWPQMQ-YDJIHCHBSA-N 1 2 421.884 4.049 50 30 HIEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000102880490 560833800 /nfs/dbraw/zinc/83/38/00/560833800.db2.gz RRPFNDADZWPQMQ-YDJIHCHBSA-N 1 2 421.884 4.049 50 30 HIEALO CC[NH+]=C(Nc1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000005715741 560840684 /nfs/dbraw/zinc/84/06/84/560840684.db2.gz GRQLQCMTHXYJIV-KRWDZBQOSA-N 1 2 417.918 4.011 50 30 HIEALO CSc1cccc(NC(NC(=O)c2ccc(C)c(F)c2)=[NH+]Cc2ccncc2)c1 ZINC000045940059 568421683 /nfs/dbraw/zinc/42/16/83/568421683.db2.gz GJAJLZZOPYKCPY-UHFFFAOYSA-N 1 2 408.502 4.458 50 30 HIEALO COc1ccc(NC(=[NH+]C2CCCC2)SCc2nc(=O)c3sccc3[nH]2)cc1 ZINC000006621636 568456700 /nfs/dbraw/zinc/45/67/00/568456700.db2.gz CIVDGJIBJPJRRL-UHFFFAOYSA-N 1 2 414.556 4.446 50 30 HIEALO N#Cc1c(N)sc2c1CC[N@@H+](CC(=O)Nc1ccccc1Sc1ccccc1)C2 ZINC000095446658 568611954 /nfs/dbraw/zinc/61/19/54/568611954.db2.gz YJXOXWNLLKGZMT-UHFFFAOYSA-N 1 2 420.563 4.350 50 30 HIEALO N#Cc1c(N)sc2c1CC[N@H+](CC(=O)Nc1ccccc1Sc1ccccc1)C2 ZINC000095446658 568611957 /nfs/dbraw/zinc/61/19/57/568611957.db2.gz YJXOXWNLLKGZMT-UHFFFAOYSA-N 1 2 420.563 4.350 50 30 HIEALO Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)o2)cc1 ZINC000027793530 569395303 /nfs/dbraw/zinc/39/53/03/569395303.db2.gz HUYFCBPFQWIFDW-QFIPXVFZSA-N 1 2 402.498 4.316 50 30 HIEALO C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000328596593 569416134 /nfs/dbraw/zinc/41/61/34/569416134.db2.gz GOFGLOVIFQXHEL-HNNXBMFYSA-N 1 2 418.501 4.281 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000036066013 524800108 /nfs/dbraw/zinc/80/01/08/524800108.db2.gz DAVAYDQMGPVISK-OOXYOOLHSA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000036066013 524800120 /nfs/dbraw/zinc/80/01/20/524800120.db2.gz DAVAYDQMGPVISK-OOXYOOLHSA-N 1 2 409.482 4.258 50 30 HIEALO CSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000004331388 558262775 /nfs/dbraw/zinc/26/27/75/558262775.db2.gz KWNYIZSMXZYAJE-INIZCTEOSA-N 1 2 409.559 4.047 50 30 HIEALO CSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(N(C)C)cc1 ZINC000004331389 558262864 /nfs/dbraw/zinc/26/28/64/558262864.db2.gz KWNYIZSMXZYAJE-MRXNPFEDSA-N 1 2 409.559 4.047 50 30 HIEALO COc1ccc(C=[NH+]C2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1O ZINC000110025120 559138328 /nfs/dbraw/zinc/13/83/28/559138328.db2.gz SJBDBBGRORBOQU-BUVRLJJBSA-N 1 2 405.502 4.272 50 30 HIEALO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000014095396 559149850 /nfs/dbraw/zinc/14/98/50/559149850.db2.gz XJHNHYJCXUJJGL-UHFFFAOYSA-N 1 2 423.516 4.118 50 30 HIEALO C[N@@H+]1CCc2c(C#N)c(/N=C/c3cc(Cl)cc(Br)c3O)sc2C1 ZINC000000830478 568504387 /nfs/dbraw/zinc/50/43/87/568504387.db2.gz YYNLEIVSPBFVCA-IFRROFPPSA-N 1 2 410.724 4.480 50 30 HIEALO C[N@H+]1CCc2c(C#N)c(/N=C/c3cc(Cl)cc(Br)c3O)sc2C1 ZINC000000830478 568504388 /nfs/dbraw/zinc/50/43/88/568504388.db2.gz YYNLEIVSPBFVCA-IFRROFPPSA-N 1 2 410.724 4.480 50 30 HIEALO COc1c2c(cc3c1[C@@H](C#CCSc1nc4ccccc4s1)[N@H+](C)CC3)OCO2 ZINC000020411843 568605493 /nfs/dbraw/zinc/60/54/93/568605493.db2.gz AFLVWZIUIJSHJS-MRXNPFEDSA-N 1 2 424.547 4.358 50 30 HIEALO COc1c2c(cc3c1[C@@H](C#CCSc1nc4ccccc4s1)[N@@H+](C)CC3)OCO2 ZINC000020411843 568605495 /nfs/dbraw/zinc/60/54/95/568605495.db2.gz AFLVWZIUIJSHJS-MRXNPFEDSA-N 1 2 424.547 4.358 50 30 HIEALO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC(F)F ZINC000095409429 568606569 /nfs/dbraw/zinc/60/65/69/568606569.db2.gz LUKWNEWSFGBIDP-UHFFFAOYSA-N 1 2 403.429 4.019 50 30 HIEALO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC(F)F ZINC000095409429 568606570 /nfs/dbraw/zinc/60/65/70/568606570.db2.gz LUKWNEWSFGBIDP-UHFFFAOYSA-N 1 2 403.429 4.019 50 30 HIEALO NC(=[NH+]OCc1cc(-c2ccccc2)on1)c1ccc(OCc2cccnc2)cc1 ZINC000058152106 568892907 /nfs/dbraw/zinc/89/29/07/568892907.db2.gz PHOKZONJHYVJOI-UHFFFAOYSA-N 1 2 400.438 4.153 50 30 HIEALO Cc1c(/[NH+]=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000004004567 568933028 /nfs/dbraw/zinc/93/30/28/568933028.db2.gz HBSAJAUGKWEPLX-LFVJCYFKSA-N 1 2 419.485 4.134 50 30 HIEALO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1C ZINC000012919462 569022890 /nfs/dbraw/zinc/02/28/90/569022890.db2.gz JXWRCYBEYDODSH-UHFFFAOYSA-N 1 2 403.526 4.145 50 30 HIEALO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ncc(-c4ccc(C)cc4)o3)c2)n1 ZINC000079065245 852540020 /nfs/dbraw/zinc/54/00/20/852540020.db2.gz WFMNZMRYQJBGDK-UHFFFAOYSA-N 1 2 415.497 4.349 50 30 HIEALO Cc1cc(=N)n(C(Nc2ccc(F)c(Cl)c2)=[NH+]Cc2ccc3c(c2)OCO3)s1 ZINC000020343762 526097635 /nfs/dbraw/zinc/09/76/35/526097635.db2.gz ONGAPIUMDHUMIA-UHFFFAOYSA-N 1 2 418.881 4.184 50 30 HIEALO Cc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000097571214 557830591 /nfs/dbraw/zinc/83/05/91/557830591.db2.gz VZGZLYRJTIKABB-KRWDZBQOSA-N 1 2 421.472 4.377 50 30 HIEALO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000097571213 557830636 /nfs/dbraw/zinc/83/06/36/557830636.db2.gz VZGZLYRJTIKABB-QGZVFWFLSA-N 1 2 421.472 4.377 50 30 HIEALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@@H]2c1cccnc1 ZINC000013003606 558501371 /nfs/dbraw/zinc/50/13/71/558501371.db2.gz XGQDZOFQHOMEGP-LJQANCHMSA-N 1 2 403.511 4.447 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCC(C)CC3)C2=O)cc1OC ZINC000013653617 558850925 /nfs/dbraw/zinc/85/09/25/558850925.db2.gz HUCXPTHXJYNIBP-XKZIYDEJSA-N 1 2 409.482 4.258 50 30 HIEALO CC[NH+]=C(Nc1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000096471169 559110552 /nfs/dbraw/zinc/11/05/52/559110552.db2.gz JSGSBCOYRBKSDG-KRWDZBQOSA-N 1 2 401.919 4.311 50 30 HIEALO CC1(C)CCC[C@](C)(C#CCN2CC[NH+](CC#C[C@@]3(C)CCCC(C)(C)O3)CC2)O1 ZINC000019934001 569018592 /nfs/dbraw/zinc/01/85/92/569018592.db2.gz JMHBJXANORTDCX-CLJLJLNGSA-N 1 2 414.634 4.086 50 30 HIEALO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccc(F)c4cccnc34)c2)n1 ZINC000069351675 571222079 /nfs/dbraw/zinc/22/20/79/571222079.db2.gz PSXWNUMHNKRICI-UHFFFAOYSA-N 1 2 403.461 4.073 50 30 HIEALO C=C(C)CN(CC)C(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000022831267 518594121 /nfs/dbraw/zinc/59/41/21/518594121.db2.gz QCEYHJSPYPJZBO-HNNXBMFYSA-N 1 2 421.998 4.060 50 30 HIEALO CN(C)c1ccc(/C=[NH+]/N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000002981245 557777284 /nfs/dbraw/zinc/77/72/84/557777284.db2.gz KOBUWYFAEIRWGH-OTZYPNAKSA-N 1 2 413.525 4.419 50 30 HIEALO COc1ccccc1-c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000022775845 557818341 /nfs/dbraw/zinc/81/83/41/557818341.db2.gz YZLZVRCXHFUHAJ-UHFFFAOYSA-N 1 2 404.539 4.008 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000013653580 558850901 /nfs/dbraw/zinc/85/09/01/558850901.db2.gz YYGORXICUBVULP-OFNOZLENSA-N 1 2 407.466 4.027 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000013653580 558850902 /nfs/dbraw/zinc/85/09/02/558850902.db2.gz YYGORXICUBVULP-OFNOZLENSA-N 1 2 407.466 4.027 50 30 HIEALO Cc1c(/[NH+]=C2\NC3(CCCCC3)Cc3ccccc32)c(=O)n(C)n1-c1ccccc1 ZINC000000704250 568463079 /nfs/dbraw/zinc/46/30/79/568463079.db2.gz QODBNTZZNYNGQG-UHFFFAOYSA-N 1 2 400.526 4.411 50 30 HIEALO Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)o1 ZINC000000798063 568482928 /nfs/dbraw/zinc/48/29/28/568482928.db2.gz DFKADHVAYPVMJK-OAQYLSRUSA-N 1 2 419.481 4.070 50 30 HIEALO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000012533562 568844601 /nfs/dbraw/zinc/84/46/01/568844601.db2.gz GFIVMQTTZIHLJS-UHFFFAOYSA-N 1 2 414.534 4.062 50 30 HIEALO CC(C)(C)/N=C1\[C@@H]([NH+]2CCSCC2)C(C)(C)C(=S)N1c1ccc(C#N)cc1 ZINC000015861725 569015434 /nfs/dbraw/zinc/01/54/34/569015434.db2.gz MAHTYPNFOQDNOD-SPJFCROGSA-N 1 2 400.617 4.346 50 30 HIEALO CC1(C)C=C(C[NH+]2CCOCC2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)cc1 ZINC000575473187 569029972 /nfs/dbraw/zinc/02/99/72/569029972.db2.gz LTHCCZFCUTWERY-YYADALCUSA-N 1 2 421.928 4.315 50 30 HIEALO Cc1nn(-c2ccccc2)c(C)c1C=NN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000252394230 569057867 /nfs/dbraw/zinc/05/78/67/569057867.db2.gz AFTWKQIYGDIQGK-UHFFFAOYSA-N 1 2 407.949 4.294 50 30 HIEALO COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)o2)cc1 ZINC000027750040 569392942 /nfs/dbraw/zinc/39/29/42/569392942.db2.gz XUCMVFGFYGEUSD-JOCHJYFZSA-N 1 2 418.497 4.016 50 30 HIEALO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000328596594 569416114 /nfs/dbraw/zinc/41/61/14/569416114.db2.gz GOFGLOVIFQXHEL-OAHLLOKOSA-N 1 2 418.501 4.281 50 30 HIEALO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1=S ZINC000069921206 571249846 /nfs/dbraw/zinc/24/98/46/571249846.db2.gz DEPKHUICPUDIRR-SFHVURJKSA-N 1 2 423.627 4.224 50 30 HIEALO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1=S ZINC000069921206 571249848 /nfs/dbraw/zinc/24/98/48/571249848.db2.gz DEPKHUICPUDIRR-SFHVURJKSA-N 1 2 423.627 4.224 50 30 HIEALO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022918019 524033505 /nfs/dbraw/zinc/03/35/05/524033505.db2.gz KUUHKHLMBBIGFH-XWRWGNRUSA-N 1 2 415.581 4.198 50 30 HIEALO O=C1Nc2c(cc(Cl)cc2Cl)/C1=N\N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000025326804 527087774 /nfs/dbraw/zinc/08/77/74/527087774.db2.gz OOABNRGXCOJUIC-UHFFFAOYSA-N 1 2 423.731 4.121 50 30 HIEALO CCSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(OC)cc1 ZINC000004331405 558263077 /nfs/dbraw/zinc/26/30/77/558263077.db2.gz LJUMPGDYNOXXEI-INIZCTEOSA-N 1 2 410.543 4.380 50 30 HIEALO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccs2)c1 ZINC000094979096 568593317 /nfs/dbraw/zinc/59/33/17/568593317.db2.gz OZVBBNVODJSDTI-FQEVSTJZSA-N 1 2 421.522 4.230 50 30 HIEALO C[NH+]=C(Nc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006014711 568835292 /nfs/dbraw/zinc/83/52/92/568835292.db2.gz PIGAIGVVNVDOOT-HNNXBMFYSA-N 1 2 408.310 4.266 50 30 HIEALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003586219 568917780 /nfs/dbraw/zinc/91/77/80/568917780.db2.gz RKXYPPLDTWOVJW-UHFFFAOYSA-N 1 2 422.710 4.053 50 30 HIEALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003586219 568917782 /nfs/dbraw/zinc/91/77/82/568917782.db2.gz RKXYPPLDTWOVJW-UHFFFAOYSA-N 1 2 422.710 4.053 50 30 HIEALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@](C)(C#N)C4)csc3C2)nc1 ZINC000426477737 569073179 /nfs/dbraw/zinc/07/31/79/569073179.db2.gz MONWSTWQRZVERR-QHCPKHFHSA-N 1 2 408.571 4.030 50 30 HIEALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@](C)(C#N)C4)csc3C2)nc1 ZINC000426477737 569073180 /nfs/dbraw/zinc/07/31/80/569073180.db2.gz MONWSTWQRZVERR-QHCPKHFHSA-N 1 2 408.571 4.030 50 30 HIEALO N#CCc1cccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)c1 ZINC000328589780 569414772 /nfs/dbraw/zinc/41/47/72/569414772.db2.gz BJBJIDWNJDIWDI-UHFFFAOYSA-N 1 2 423.314 4.054 50 30 HIEALO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000009549163 571268007 /nfs/dbraw/zinc/26/80/07/571268007.db2.gz RQFQGKXLZFYSGI-QHCPKHFHSA-N 1 2 415.541 4.139 50 30 HIEALO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000009549163 571268009 /nfs/dbraw/zinc/26/80/09/571268009.db2.gz RQFQGKXLZFYSGI-QHCPKHFHSA-N 1 2 415.541 4.139 50 30 HIEALO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1C#N ZINC000009605512 571273196 /nfs/dbraw/zinc/27/31/96/571273196.db2.gz BOYPAWWMMRWJJJ-UHFFFAOYSA-N 1 2 422.529 4.281 50 30 HIEALO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c1C#N ZINC000009605512 571273197 /nfs/dbraw/zinc/27/31/97/571273197.db2.gz BOYPAWWMMRWJJJ-UHFFFAOYSA-N 1 2 422.529 4.281 50 30 HIEALO CCC[NH+](CCC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc(C(=O)OC)cc1)O2 ZINC000020624954 521648131 /nfs/dbraw/zinc/64/81/31/521648131.db2.gz QHANFKIYXBCTRH-STZFKDTASA-N 1 2 409.482 4.417 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCCCC3)C2=O)c(OC)c1 ZINC000020646869 523423327 /nfs/dbraw/zinc/42/33/27/523423327.db2.gz PKZLXOYFQNAHNY-XKZIYDEJSA-N 1 2 409.482 4.402 50 30 HIEALO [NH2+]=C(COc1ccc(C2SCCS2)cc1)NOC(=O)c1ccc(Cl)cc1 ZINC000004394441 557551535 /nfs/dbraw/zinc/55/15/35/557551535.db2.gz QATUETHSGMTVHL-UHFFFAOYSA-N 1 2 408.932 4.327 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009046200 557820602 /nfs/dbraw/zinc/82/06/02/557820602.db2.gz HJGXDKNQPMJBBF-FQEVSTJZSA-N 1 2 421.884 4.205 50 30 HIEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000009046200 557820605 /nfs/dbraw/zinc/82/06/05/557820605.db2.gz HJGXDKNQPMJBBF-FQEVSTJZSA-N 1 2 421.884 4.205 50 30 HIEALO CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)nc1C ZINC000020291187 558353953 /nfs/dbraw/zinc/35/39/53/558353953.db2.gz WTDALCRZAVADQQ-UHFFFAOYSA-N 1 2 401.532 4.171 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c1 ZINC000013653805 558850842 /nfs/dbraw/zinc/85/08/42/558850842.db2.gz MOACJKZREYOZJW-PXNCGERRSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@@H]3C)C2=O)c1 ZINC000013653805 558850844 /nfs/dbraw/zinc/85/08/44/558850844.db2.gz MOACJKZREYOZJW-PXNCGERRSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1OC ZINC000013653803 558850978 /nfs/dbraw/zinc/85/09/78/558850978.db2.gz HDXWJGFKVFUHGT-QZDMBBGESA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@H](C)C3)C2=O)cc1OC ZINC000013653803 558850979 /nfs/dbraw/zinc/85/09/79/558850979.db2.gz HDXWJGFKVFUHGT-QZDMBBGESA-N 1 2 409.482 4.258 50 30 HIEALO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1=S ZINC000069921209 559264385 /nfs/dbraw/zinc/26/43/85/559264385.db2.gz DEPKHUICPUDIRR-GOSISDBHSA-N 1 2 423.627 4.224 50 30 HIEALO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1=S ZINC000069921209 559264386 /nfs/dbraw/zinc/26/43/86/559264386.db2.gz DEPKHUICPUDIRR-GOSISDBHSA-N 1 2 423.627 4.224 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)cc1 ZINC000048344190 568440738 /nfs/dbraw/zinc/44/07/38/568440738.db2.gz LCZHSZUCNRGRSP-UHFFFAOYSA-N 1 2 413.481 4.095 50 30 HIEALO CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CC[N@@H+](C)C3)c1O ZINC000004150647 568946967 /nfs/dbraw/zinc/94/69/67/568946967.db2.gz GAYJSFYTBGKJJI-ZVBGSRNCSA-N 1 2 420.332 4.225 50 30 HIEALO CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CC[N@H+](C)C3)c1O ZINC000004150647 568946968 /nfs/dbraw/zinc/94/69/68/568946968.db2.gz GAYJSFYTBGKJJI-ZVBGSRNCSA-N 1 2 420.332 4.225 50 30 HIEALO C#CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CCN(c2ccc(OC)cc2)CC1 ZINC000001391372 569006541 /nfs/dbraw/zinc/00/65/41/569006541.db2.gz LNQSMIOOZKVIJM-UHFFFAOYSA-N 1 2 412.537 4.271 50 30 HIEALO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000006880176 569165321 /nfs/dbraw/zinc/16/53/21/569165321.db2.gz ZAIFJFFBRUIDGX-GOSISDBHSA-N 1 2 423.538 4.045 50 30 HIEALO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000006880176 569165323 /nfs/dbraw/zinc/16/53/23/569165323.db2.gz ZAIFJFFBRUIDGX-GOSISDBHSA-N 1 2 423.538 4.045 50 30 HIEALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000012998301 569406209 /nfs/dbraw/zinc/40/62/09/569406209.db2.gz LLWTWEATNJHZGZ-UHFFFAOYSA-N 1 2 420.513 4.087 50 30 HIEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C\c1cn(C)c3ccc(OC)cc13)O2 ZINC000020647127 520742238 /nfs/dbraw/zinc/74/22/38/520742238.db2.gz QQVUQYJDNJZNEV-SSDVNMTOSA-N 1 2 406.482 4.351 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c1OC ZINC000020611222 525768096 /nfs/dbraw/zinc/76/80/96/525768096.db2.gz JSRUEBJBIBOHNI-MNAFEPAFSA-N 1 2 409.482 4.400 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@@H]3C)C2=O)c1OC ZINC000020611222 525768105 /nfs/dbraw/zinc/76/81/05/525768105.db2.gz JSRUEBJBIBOHNI-MNAFEPAFSA-N 1 2 409.482 4.400 50 30 HIEALO Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)o1 ZINC000000798062 525985426 /nfs/dbraw/zinc/98/54/26/525985426.db2.gz DFKADHVAYPVMJK-NRFANRHFSA-N 1 2 419.481 4.070 50 30 HIEALO [NH2+]=C(CSc1ncccc1C(F)(F)F)NOC(=O)c1ccc(C(F)(F)F)cc1 ZINC000012369752 558389230 /nfs/dbraw/zinc/38/92/30/558389230.db2.gz XNVKFXBSTUCMEM-UHFFFAOYSA-N 1 2 423.338 4.341 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013653822 558851133 /nfs/dbraw/zinc/85/11/33/558851133.db2.gz GGSMOFWEZDPHKD-PJMHOZITSA-N 1 2 407.466 4.169 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013653822 558851136 /nfs/dbraw/zinc/85/11/36/558851136.db2.gz GGSMOFWEZDPHKD-PJMHOZITSA-N 1 2 407.466 4.169 50 30 HIEALO N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153769 559021763 /nfs/dbraw/zinc/02/17/63/559021763.db2.gz RRROLHCBMOXUHX-UHFFFAOYSA-N 1 2 424.507 4.400 50 30 HIEALO N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153769 559021765 /nfs/dbraw/zinc/02/17/65/559021765.db2.gz RRROLHCBMOXUHX-UHFFFAOYSA-N 1 2 424.507 4.400 50 30 HIEALO N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000033317852 559055803 /nfs/dbraw/zinc/05/58/03/559055803.db2.gz VVYCZQFSCWLQNT-UHFFFAOYSA-N 1 2 414.534 4.242 50 30 HIEALO N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1)CC[N@H+](Cc1ccccc1)C2 ZINC000033317852 559055805 /nfs/dbraw/zinc/05/58/05/559055805.db2.gz VVYCZQFSCWLQNT-UHFFFAOYSA-N 1 2 414.534 4.242 50 30 HIEALO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCCCO3)CCC2 ZINC000008310440 568988725 /nfs/dbraw/zinc/98/87/25/568988725.db2.gz ZFJHOOGFRYIFOV-SFHVURJKSA-N 1 2 423.538 4.045 50 30 HIEALO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc3c(c1)OCCCO3)CCC2 ZINC000008310440 568988726 /nfs/dbraw/zinc/98/87/26/568988726.db2.gz ZFJHOOGFRYIFOV-SFHVURJKSA-N 1 2 423.538 4.045 50 30 HIEALO O=C1c2ccc(O)c(C[NH+]3CCCC3)c2O/C1=C\c1ccc(Br)cc1 ZINC000002230941 569319723 /nfs/dbraw/zinc/31/97/23/569319723.db2.gz MMDMYZWOYIIQKP-WQRHYEAKSA-N 1 2 400.272 4.367 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000020647417 521937346 /nfs/dbraw/zinc/93/73/46/521937346.db2.gz PQNULEWZBCSFOT-DBYZZWJSSA-N 1 2 421.493 4.273 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(Cc3csc(COc4ccc(F)cc4)n3)CC2)cc1 ZINC000022785749 557820873 /nfs/dbraw/zinc/82/08/73/557820873.db2.gz JWWBBDJZNODYQR-UHFFFAOYSA-N 1 2 422.529 4.051 50 30 HIEALO O=C1c2ccc(O)c(C[NH+]3CCCC3)c2O/C1=C\c1cc(Cl)cc2c1OCOC2 ZINC000013656323 558851315 /nfs/dbraw/zinc/85/13/15/558851315.db2.gz VHGUOBXGEJOKOW-OCKHKDLRSA-N 1 2 413.857 4.124 50 30 HIEALO C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000004981074 559223565 /nfs/dbraw/zinc/22/35/65/559223565.db2.gz AZEFVNIGUPLSPC-UHFFFAOYSA-N 1 2 408.509 4.118 50 30 HIEALO C[NH+]=C(Nc1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000005525339 560604881 /nfs/dbraw/zinc/60/48/81/560604881.db2.gz SKHJJRMPSLMBBR-HNNXBMFYSA-N 1 2 408.310 4.266 50 30 HIEALO N#Cc1ccc(/C=C2\CN(c3cccc[nH+]3)C/C(=C/c3ccc(C#N)cc3)C2=O)cc1 ZINC000098007565 560759147 /nfs/dbraw/zinc/75/91/47/560759147.db2.gz YOFJQIGOKZOEGD-NQGGHMMCSA-N 1 2 402.457 4.381 50 30 HIEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000104198486 560849688 /nfs/dbraw/zinc/84/96/88/560849688.db2.gz IUZANUCAQDKMIP-HOGKFDNTSA-N 1 2 415.493 4.012 50 30 HIEALO Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000104198486 560849689 /nfs/dbraw/zinc/84/96/89/560849689.db2.gz IUZANUCAQDKMIP-HOGKFDNTSA-N 1 2 415.493 4.012 50 30 HIEALO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000024714571 568457553 /nfs/dbraw/zinc/45/75/53/568457553.db2.gz CBGNEWBYBMOTJR-UHFFFAOYSA-N 1 2 404.901 4.026 50 30 HIEALO CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+]1CCOCC1 ZINC000020150031 568590367 /nfs/dbraw/zinc/59/03/67/568590367.db2.gz KTXHEYZXSPJALR-UHFFFAOYSA-N 1 2 405.546 4.144 50 30 HIEALO O=[N+]([O-])c1cccc(/C=N/c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1O ZINC000000903837 568749634 /nfs/dbraw/zinc/74/96/34/568749634.db2.gz KMDVSDLMXRRNEW-KOEQRZSOSA-N 1 2 416.481 4.373 50 30 HIEALO CC[NH+](CC)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000019794478 558283713 /nfs/dbraw/zinc/28/37/13/558283713.db2.gz RXKGPGFJCPFQFN-LJQANCHMSA-N 1 2 416.880 4.357 50 30 HIEALO O=C(/C=C/N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000020028593 558322762 /nfs/dbraw/zinc/32/27/62/558322762.db2.gz KBJHGKQYXGYZKQ-MDZDMXLPSA-N 1 2 406.860 4.456 50 30 HIEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Cl)cc1Cl)[N@H+](C)CC3)OCO2 ZINC000020411247 568605255 /nfs/dbraw/zinc/60/52/55/568605255.db2.gz MCOIXNDOBXKQAW-MRXNPFEDSA-N 1 2 420.292 4.342 50 30 HIEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Cl)cc1Cl)[N@@H+](C)CC3)OCO2 ZINC000020411247 568605256 /nfs/dbraw/zinc/60/52/56/568605256.db2.gz MCOIXNDOBXKQAW-MRXNPFEDSA-N 1 2 420.292 4.342 50 30 HIEALO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC000030181750 568858615 /nfs/dbraw/zinc/85/86/15/568858615.db2.gz CNUFPHZYRNBVLD-UHFFFAOYSA-N 1 2 405.498 4.384 50 30 HIEALO N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000027748728 569392893 /nfs/dbraw/zinc/39/28/93/569392893.db2.gz CXSHADRGBLCOMI-HXUWFJFHSA-N 1 2 408.889 4.352 50 30 HIEALO CCOc1ccc(/C=C\C(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1OC ZINC000097992497 852648039 /nfs/dbraw/zinc/64/80/39/852648039.db2.gz YXNRGOFEOAWEJZ-POHAHGRESA-N 1 2 412.505 4.271 50 30 HIEALO C=CCO[C@H](C[NH+]1CCN(C(=O)CCC2CCCC2)CC1)c1cccc(OC)c1 ZINC000034915500 518999947 /nfs/dbraw/zinc/99/99/47/518999947.db2.gz MVHNOMDOMVNCTN-HSZRJFAPSA-N 1 2 400.563 4.054 50 30 HIEALO CCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc(Cl)cc3)=[NH+]C)C2=O)cc1 ZINC000018194243 558833104 /nfs/dbraw/zinc/83/31/04/558833104.db2.gz ZCVSDEWMRUNOQU-KRWDZBQOSA-N 1 2 417.918 4.011 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Nc3ccc(F)cc3)CC2)cc1 ZINC000023436589 559174334 /nfs/dbraw/zinc/17/43/34/559174334.db2.gz LOJUJLSLICUSJS-UHFFFAOYSA-N 1 2 414.484 4.399 50 30 HIEALO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023873357 559181474 /nfs/dbraw/zinc/18/14/74/559181474.db2.gz KONCMWYSICIJES-UHFFFAOYSA-N 1 2 411.505 4.062 50 30 HIEALO CC(C)(C)[C@@](O)(CC#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000019972543 569018627 /nfs/dbraw/zinc/01/86/27/569018627.db2.gz DIEVNKLYLIIXGU-RUZDIDTESA-N 1 2 421.541 4.044 50 30 HIEALO C=C(C)CNC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022373509 518608425 /nfs/dbraw/zinc/60/84/25/518608425.db2.gz SYQWEDIXRONZMD-UHFFFAOYSA-N 1 2 401.526 4.122 50 30 HIEALO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1)C[C@@](C)(O)C=C ZINC000036206483 518800640 /nfs/dbraw/zinc/80/06/40/518800640.db2.gz JRWJZIJRLCKLKG-QHCPKHFHSA-N 1 2 409.555 4.193 50 30 HIEALO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1)C[C@@](C)(O)C=C ZINC000036206483 518800648 /nfs/dbraw/zinc/80/06/48/518800648.db2.gz JRWJZIJRLCKLKG-QHCPKHFHSA-N 1 2 409.555 4.193 50 30 HIEALO CC1(C)CCC[C@@](C)(C#CCN2CC[NH+](CC#C[C@]3(C)CCCC(C)(C)O3)CC2)O1 ZINC000019934004 520351651 /nfs/dbraw/zinc/35/16/51/520351651.db2.gz JMHBJXANORTDCX-UIOOFZCWSA-N 1 2 414.634 4.086 50 30 HIEALO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781321 558510032 /nfs/dbraw/zinc/51/00/32/558510032.db2.gz QSZFWEFCOAYFHS-SANMLTNESA-N 1 2 424.548 4.364 50 30 HIEALO CC[N@H+](Cc1cccc(F)c1)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 ZINC000014237113 558642029 /nfs/dbraw/zinc/64/20/29/558642029.db2.gz NINPBUZVHJCKNP-UHFFFAOYSA-N 1 2 410.518 4.022 50 30 HIEALO CC[N@@H+](Cc1cccc(F)c1)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 ZINC000014237113 558642030 /nfs/dbraw/zinc/64/20/30/558642030.db2.gz NINPBUZVHJCKNP-UHFFFAOYSA-N 1 2 410.518 4.022 50 30 HIEALO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccc2)c1 ZINC000096325043 559109986 /nfs/dbraw/zinc/10/99/86/559109986.db2.gz WKCZQXNJVIOFOY-QFIPXVFZSA-N 1 2 415.493 4.169 50 30 HIEALO Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccc2)c1 ZINC000096325043 559109988 /nfs/dbraw/zinc/10/99/88/559109988.db2.gz WKCZQXNJVIOFOY-QFIPXVFZSA-N 1 2 415.493 4.169 50 30 HIEALO CC[NH+]=C(Nc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100640158 559249199 /nfs/dbraw/zinc/24/91/99/559249199.db2.gz CJBULKDJBWMULE-KRWDZBQOSA-N 1 2 417.918 4.011 50 30 HIEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000104198490 560849789 /nfs/dbraw/zinc/84/97/89/560849789.db2.gz IUZANUCAQDKMIP-MOBKVPTQSA-N 1 2 415.493 4.012 50 30 HIEALO Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000104198490 560849791 /nfs/dbraw/zinc/84/97/91/560849791.db2.gz IUZANUCAQDKMIP-MOBKVPTQSA-N 1 2 415.493 4.012 50 30 HIEALO C[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000024830750 568469889 /nfs/dbraw/zinc/46/98/89/568469889.db2.gz AXWUHYNQANDBBH-HNNXBMFYSA-N 1 2 408.506 4.371 50 30 HIEALO C[NH+](C)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 ZINC000003176723 568477735 /nfs/dbraw/zinc/47/77/35/568477735.db2.gz PLYMSZMCQPYYEM-UHFFFAOYSA-N 1 2 410.930 4.246 50 30 HIEALO O=[N+]([O-])c1cc(/C=[NH+]/OCc2c(Cl)cccc2Cl)ccc1N1CCOCC1 ZINC000004052556 568936539 /nfs/dbraw/zinc/93/65/39/568936539.db2.gz NGBQEQAKYGJROX-SRZZPIQSSA-N 1 2 410.257 4.289 50 30 HIEALO C=C(C)COc1cccc(NC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000089914058 569268422 /nfs/dbraw/zinc/26/84/22/569268422.db2.gz DFTMZXPDFNNJGN-FQEVSTJZSA-N 1 2 415.559 4.240 50 30 HIEALO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000009605519 571273218 /nfs/dbraw/zinc/27/32/18/571273218.db2.gz MSNPIGFLENIXOS-QFIPXVFZSA-N 1 2 419.504 4.219 50 30 HIEALO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000009605519 571273219 /nfs/dbraw/zinc/27/32/19/571273219.db2.gz MSNPIGFLENIXOS-QFIPXVFZSA-N 1 2 419.504 4.219 50 30 HIEALO C[N@H+](Cc1ccccc1)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611162 523344936 /nfs/dbraw/zinc/34/49/36/523344936.db2.gz LOEXTUMFTKFTCW-FMCGGJTJSA-N 1 2 415.445 4.369 50 30 HIEALO C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611162 523344944 /nfs/dbraw/zinc/34/49/44/523344944.db2.gz LOEXTUMFTKFTCW-FMCGGJTJSA-N 1 2 415.445 4.369 50 30 HIEALO COc1ccc(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1Br ZINC000019882215 523439982 /nfs/dbraw/zinc/43/99/82/523439982.db2.gz MMCOZBXNFSOLDI-LPYMAVHISA-N 1 2 422.754 4.263 50 30 HIEALO COc1ccc(-c2nc(C[NH+]3CCN(c4nc(C)cc(C)c4C#N)CC3)cs2)cc1 ZINC000097550214 557823107 /nfs/dbraw/zinc/82/31/07/557823107.db2.gz AIEALTIOXKHQLC-UHFFFAOYSA-N 1 2 419.554 4.024 50 30 HIEALO Fc1ccc(Br)cc1/C=N/N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019882217 558301282 /nfs/dbraw/zinc/30/12/82/558301282.db2.gz FOJNXULFZVMRLV-WSDLNYQXSA-N 1 2 410.718 4.393 50 30 HIEALO COc1ccc(C[NH+]=C(Nc2ccc(F)c(Cl)c2)n2sc(C)cc2=N)cc1 ZINC000020343759 558356115 /nfs/dbraw/zinc/35/61/15/558356115.db2.gz MIHMRVISZAMYHX-UHFFFAOYSA-N 1 2 404.898 4.464 50 30 HIEALO C[N@H+](Cc1ccccc1Br)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029696195 558719023 /nfs/dbraw/zinc/71/90/23/558719023.db2.gz RNSXOUDUOQGBAQ-MRXNPFEDSA-N 1 2 421.298 4.118 50 30 HIEALO C[N@@H+](Cc1ccccc1Br)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029696195 558719025 /nfs/dbraw/zinc/71/90/25/558719025.db2.gz RNSXOUDUOQGBAQ-MRXNPFEDSA-N 1 2 421.298 4.118 50 30 HIEALO COc1ccc(-c2nc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)cs2)cc1 ZINC000022977749 558809530 /nfs/dbraw/zinc/80/95/30/558809530.db2.gz OEPQBOGVRSYXKW-UHFFFAOYSA-N 1 2 408.502 4.152 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c(OC)c1 ZINC000013653871 558851060 /nfs/dbraw/zinc/85/10/60/558851060.db2.gz FWTGKIXGYPRUSM-PWKYRQDESA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@H](C)C3)C2=O)c(OC)c1 ZINC000013653871 558851062 /nfs/dbraw/zinc/85/10/62/558851062.db2.gz FWTGKIXGYPRUSM-PWKYRQDESA-N 1 2 409.482 4.258 50 30 HIEALO CCCSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(O)cc1 ZINC000044973508 560898356 /nfs/dbraw/zinc/89/83/56/560898356.db2.gz AKPQKEKCLIHQRW-INIZCTEOSA-N 1 2 410.543 4.467 50 30 HIEALO C=C(C)COc1ccc([C@H](CC(=O)OC)c2c3[nH]s[nH+]c-3ccc2=O)cc1OC ZINC000096232173 568707791 /nfs/dbraw/zinc/70/77/91/568707791.db2.gz VBOKUXUDKLXXOD-AWEZNQCLSA-N 1 2 414.483 4.055 50 30 HIEALO C=CCCC(=O)N(Cc1cc2ccc(OC)cc2[nH+]c1N1CCCC1)C[C@@H]1CCCO1 ZINC000014976186 569004230 /nfs/dbraw/zinc/00/42/30/569004230.db2.gz LQGCEJFKVCOMGO-QFIPXVFZSA-N 1 2 423.557 4.317 50 30 HIEALO C=C(C)COc1cccc(NC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000089914059 569268445 /nfs/dbraw/zinc/26/84/45/569268445.db2.gz DFTMZXPDFNNJGN-HXUWFJFHSA-N 1 2 415.559 4.240 50 30 HIEALO C=C(OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)[NH2+]Cc1ccccc1 ZINC000059383623 851003157 /nfs/dbraw/zinc/00/31/57/851003157.db2.gz HBJIFPPYVCEQLF-HSZRJFAPSA-N 1 2 401.462 4.373 50 30 HIEALO C=CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1[C@H]1COc2ccccc2O1 ZINC000032923193 519165909 /nfs/dbraw/zinc/16/59/09/519165909.db2.gz UUFQCDSVFTVNTQ-HXUWFJFHSA-N 1 2 412.559 4.477 50 30 HIEALO C=CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1[C@H]1COc2ccccc2O1 ZINC000032923193 519165917 /nfs/dbraw/zinc/16/59/17/519165917.db2.gz UUFQCDSVFTVNTQ-HXUWFJFHSA-N 1 2 412.559 4.477 50 30 HIEALO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000032665053 524406811 /nfs/dbraw/zinc/40/68/11/524406811.db2.gz WFJDFAJFVQRAPT-UHFFFAOYSA-N 1 2 424.976 4.021 50 30 HIEALO N#CC(CC[NH+]1CCN(C(=O)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000032819972 526429530 /nfs/dbraw/zinc/42/95/30/526429530.db2.gz SWRWXORUUYSOQH-UHFFFAOYSA-N 1 2 409.533 4.344 50 30 HIEALO Cc1c(/[NH+]=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000100164753 559167737 /nfs/dbraw/zinc/16/77/37/559167737.db2.gz IVMOECSBMNBSTQ-LFVJCYFKSA-N 1 2 419.485 4.134 50 30 HIEALO N#Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000024772653 568462042 /nfs/dbraw/zinc/46/20/42/568462042.db2.gz XQZZMKLSZAJEKP-UHFFFAOYSA-N 1 2 417.534 4.299 50 30 HIEALO COc1c2c(cc3c1[C@H](C#CCSc1nc4ccccc4s1)[N@H+](C)CC3)OCO2 ZINC000020411840 568605488 /nfs/dbraw/zinc/60/54/88/568605488.db2.gz AFLVWZIUIJSHJS-INIZCTEOSA-N 1 2 424.547 4.358 50 30 HIEALO COc1c2c(cc3c1[C@H](C#CCSc1nc4ccccc4s1)[N@@H+](C)CC3)OCO2 ZINC000020411840 568605489 /nfs/dbraw/zinc/60/54/89/568605489.db2.gz AFLVWZIUIJSHJS-INIZCTEOSA-N 1 2 424.547 4.358 50 30 HIEALO Cc1[nH+]c2ccccc2n1C[C@H](O)Cn1c2ccc(C)cc2c2c1/C(=N\O)CCC2 ZINC000096024145 568685992 /nfs/dbraw/zinc/68/59/92/568685992.db2.gz JGLNEYZMCHAXFN-OEJOWEAXSA-N 1 2 402.498 4.184 50 30 HIEALO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961562 568813679 /nfs/dbraw/zinc/81/36/79/568813679.db2.gz CMWJODRNRBOHGA-HXUWFJFHSA-N 1 2 412.537 4.246 50 30 HIEALO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961562 568813681 /nfs/dbraw/zinc/81/36/81/568813681.db2.gz CMWJODRNRBOHGA-HXUWFJFHSA-N 1 2 412.537 4.246 50 30 HIEALO C=CCOc1ccccc1/C=C1/SC(N2CC[NH+](Cc3ccccc3)CC2)=NC1=O ZINC000019866137 569018519 /nfs/dbraw/zinc/01/85/19/569018519.db2.gz SJUFHHHMFSIZPT-OQKWZONESA-N 1 2 419.550 4.040 50 30 HIEALO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000012922184 569023094 /nfs/dbraw/zinc/02/30/94/569023094.db2.gz BPPSKDHQKGGUCC-UHFFFAOYSA-N 1 2 423.516 4.137 50 30 HIEALO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000012922184 569023095 /nfs/dbraw/zinc/02/30/95/569023095.db2.gz BPPSKDHQKGGUCC-UHFFFAOYSA-N 1 2 423.516 4.137 50 30 HIEALO C=CCN(Cc1[nH+]ccn1Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000006723526 569100407 /nfs/dbraw/zinc/10/04/07/569100407.db2.gz RYCWTOWJPXXEHI-UHFFFAOYSA-N 1 2 415.946 4.270 50 30 HIEALO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000009605514 571273167 /nfs/dbraw/zinc/27/31/67/571273167.db2.gz MSNPIGFLENIXOS-JOCHJYFZSA-N 1 2 419.504 4.219 50 30 HIEALO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000009605514 571273168 /nfs/dbraw/zinc/27/31/68/571273168.db2.gz MSNPIGFLENIXOS-JOCHJYFZSA-N 1 2 419.504 4.219 50 30 HIEALO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1)C[C@](C)(O)C=C ZINC000036206482 518799893 /nfs/dbraw/zinc/79/98/93/518799893.db2.gz JRWJZIJRLCKLKG-HSZRJFAPSA-N 1 2 409.555 4.193 50 30 HIEALO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1)C[C@](C)(O)C=C ZINC000036206482 518799902 /nfs/dbraw/zinc/79/99/02/518799902.db2.gz JRWJZIJRLCKLKG-HSZRJFAPSA-N 1 2 409.555 4.193 50 30 HIEALO COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4/[NH+]=C/c2ccc3[nH]ccc3c2)cc1 ZINC000031819931 523883215 /nfs/dbraw/zinc/88/32/15/523883215.db2.gz NEHYKNSDZCJVGZ-XODNFHPESA-N 1 2 414.553 4.320 50 30 HIEALO COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3C[NH+]3CCCC3)C1=O)cn2C ZINC000020625014 525597101 /nfs/dbraw/zinc/59/71/01/525597101.db2.gz VVQYMHVIDRLHTN-SSDVNMTOSA-N 1 2 404.466 4.105 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c1OC ZINC000020611525 525768519 /nfs/dbraw/zinc/76/85/19/525768519.db2.gz OHEQYTWSNMRIMD-OFNOZLENSA-N 1 2 409.482 4.258 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c1OC ZINC000020611525 525768527 /nfs/dbraw/zinc/76/85/27/525768527.db2.gz OHEQYTWSNMRIMD-OFNOZLENSA-N 1 2 409.482 4.258 50 30 HIEALO C[N@@H+]1CCc2c(C#N)c(/N=C/c3cc(Br)cc(Cl)c3O)sc2C1 ZINC000004739508 559043204 /nfs/dbraw/zinc/04/32/04/559043204.db2.gz PMSAQXOWNGJUNL-IFRROFPPSA-N 1 2 410.724 4.480 50 30 HIEALO C[N@H+]1CCc2c(C#N)c(/N=C/c3cc(Br)cc(Cl)c3O)sc2C1 ZINC000004739508 559043205 /nfs/dbraw/zinc/04/32/05/559043205.db2.gz PMSAQXOWNGJUNL-IFRROFPPSA-N 1 2 410.724 4.480 50 30 HIEALO CCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccc(Cl)cc3)=[NH+]C)C2=O)cc1 ZINC000100563741 559136555 /nfs/dbraw/zinc/13/65/55/559136555.db2.gz ZCVSDEWMRUNOQU-QGZVFWFLSA-N 1 2 417.918 4.011 50 30 HIEALO Cc1[nH+]c2ccccc2n1C[C@@H](O)Cn1c2ccc(C)cc2c2c1C(=NO)CCC2 ZINC000096024144 568470425 /nfs/dbraw/zinc/47/04/25/568470425.db2.gz JGLNEYZMCHAXFN-QGZVFWFLSA-N 1 2 402.498 4.184 50 30 aggregator HIEALO C[NH+]1CCN(Cc2c3c(ccc2O)C(=O)/C(=C/c2c(Cl)cccc2Cl)O3)CC1 ZINC000020533217 568629515 /nfs/dbraw/zinc/62/95/15/568629515.db2.gz UJWITPJOUFRJML-ODLFYWEKSA-N 1 2 419.308 4.063 50 30 HIEALO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3c[nH]c(C#N)c3)cc2)c1 ZINC000095503989 568635069 /nfs/dbraw/zinc/63/50/69/568635069.db2.gz FJSFBRJNBXZQIT-QHCPKHFHSA-N 1 2 400.482 4.165 50 30 HIEALO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3c[nH]c(C#N)c3)cc2)c1 ZINC000095503989 568635070 /nfs/dbraw/zinc/63/50/70/568635070.db2.gz FJSFBRJNBXZQIT-QHCPKHFHSA-N 1 2 400.482 4.165 50 30 HIEALO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2C1 ZINC000095995680 568678779 /nfs/dbraw/zinc/67/87/79/568678779.db2.gz LQNFQCXGMROICM-UHFFFAOYSA-N 1 2 409.433 4.102 50 30 HIEALO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2C1 ZINC000095995680 568678781 /nfs/dbraw/zinc/67/87/81/568678781.db2.gz LQNFQCXGMROICM-UHFFFAOYSA-N 1 2 409.433 4.102 50 30 HIEALO COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC[NH+]3CCOCC3)n2)cc1 ZINC000096346774 568737915 /nfs/dbraw/zinc/73/79/15/568737915.db2.gz NMBBIMMENMHGOF-UHFFFAOYSA-N 1 2 423.460 4.072 50 30 HIEALO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCCCO3)CCC2 ZINC000008310441 568988728 /nfs/dbraw/zinc/98/87/28/568988728.db2.gz ZFJHOOGFRYIFOV-GOSISDBHSA-N 1 2 423.538 4.045 50 30 HIEALO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc3c(c1)OCCCO3)CCC2 ZINC000008310441 568988729 /nfs/dbraw/zinc/98/87/29/568988729.db2.gz ZFJHOOGFRYIFOV-GOSISDBHSA-N 1 2 423.538 4.045 50 30 HIEALO Cc1c(C#N)c2nc3ccccc3n2c(NCC[NH+]2CCOCC2)c1CCC(C)C ZINC000019808490 569430464 /nfs/dbraw/zinc/43/04/64/569430464.db2.gz WTAQHTNJBFDKAK-UHFFFAOYSA-N 1 2 405.546 4.000 50 30 HIEALO N#Cc1ccc(C[N@@H+](CC(=O)NCCc2ccc(F)cc2)Cc2cccc(F)c2)cc1 ZINC000040158291 571204658 /nfs/dbraw/zinc/20/46/58/571204658.db2.gz XBVNJOVQHBEYFM-UHFFFAOYSA-N 1 2 419.475 4.198 50 30 HIEALO N#Cc1ccc(C[N@H+](CC(=O)NCCc2ccc(F)cc2)Cc2cccc(F)c2)cc1 ZINC000040158291 571204660 /nfs/dbraw/zinc/20/46/60/571204660.db2.gz XBVNJOVQHBEYFM-UHFFFAOYSA-N 1 2 419.475 4.198 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000021865970 846504797 /nfs/dbraw/zinc/50/47/97/846504797.db2.gz RPZOJRCJAONAKX-ZRDIBKRKSA-N 1 2 415.468 4.315 50 30 HIEALO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000105678008 852722122 /nfs/dbraw/zinc/72/21/22/852722122.db2.gz KUUHKHLMBBIGFH-YVQXSCEWSA-N 1 2 415.581 4.198 50 30 HIEALO C=CC[NH+]1CCN(c2nn3c(nc(-c4cccc(C)c4)c3NC3CCCC3)s2)CC1 ZINC000021708647 518867343 /nfs/dbraw/zinc/86/73/43/518867343.db2.gz REWJZSGQLQABHI-UHFFFAOYSA-N 1 2 422.602 4.429 50 30 HIEALO COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3C[NH+]3CCCCC3)C1=O)cn2C ZINC000020649237 525596872 /nfs/dbraw/zinc/59/68/72/525596872.db2.gz LFPBFMIGOXINTN-FSJBWODESA-N 1 2 418.493 4.495 50 30 HIEALO CC[NH+]=C(Nc1ccc(F)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006050171 557685368 /nfs/dbraw/zinc/68/53/68/557685368.db2.gz IDBWDEKMPIKJAL-MRXNPFEDSA-N 1 2 405.882 4.141 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009007507 557818581 /nfs/dbraw/zinc/81/85/81/557818581.db2.gz HGHAEKMRGQKFMZ-FQEVSTJZSA-N 1 2 421.884 4.205 50 30 HIEALO O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000009007507 557818583 /nfs/dbraw/zinc/81/85/83/557818583.db2.gz HGHAEKMRGQKFMZ-FQEVSTJZSA-N 1 2 421.884 4.205 50 30 HIEALO O=C1c2cccc(O)c2/C(=N/c2ccccc2)C=C1N1CC[NH+](Cc2ccccc2)CC1 ZINC000013687975 558570552 /nfs/dbraw/zinc/57/05/52/558570552.db2.gz QEZVGERZYNRMKL-WEMUOSSPSA-N 1 2 423.516 4.411 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@H]3C)C2=O)cc1OC ZINC000013653793 558850852 /nfs/dbraw/zinc/85/08/52/558850852.db2.gz XJDVPTLSFIOCGR-VUZLNAKASA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@H]3C)C2=O)cc1OC ZINC000013653793 558850854 /nfs/dbraw/zinc/85/08/54/558850854.db2.gz XJDVPTLSFIOCGR-VUZLNAKASA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc([C@H]2CC(=O)C3=C(CC(C)(C)CC3=O)N2c2cc[nH+]cc2)cc1OC ZINC000004623236 558885726 /nfs/dbraw/zinc/88/57/26/558885726.db2.gz GMXQXSULXZVLQV-QGZVFWFLSA-N 1 2 406.482 4.263 50 30 HIEALO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2C1 ZINC000095409301 568606553 /nfs/dbraw/zinc/60/65/53/568606553.db2.gz SUIGUHCJTYMBFZ-UHFFFAOYSA-N 1 2 409.433 4.103 50 30 HIEALO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2C1 ZINC000095409301 568606554 /nfs/dbraw/zinc/60/65/54/568606554.db2.gz SUIGUHCJTYMBFZ-UHFFFAOYSA-N 1 2 409.433 4.103 50 30 HIEALO Cn1c(CCc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2)[nH+]c2ccccc21 ZINC000021357358 568688225 /nfs/dbraw/zinc/68/82/25/568688225.db2.gz VTWUAFRWBZFFID-UHFFFAOYSA-N 1 2 416.506 4.031 50 30 HIEALO C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c3[nH]s[nH+]c-3ccc2=O)cc1OC ZINC000096232172 568707759 /nfs/dbraw/zinc/70/77/59/568707759.db2.gz VBOKUXUDKLXXOD-CQSZACIVSA-N 1 2 414.483 4.055 50 30 HIEALO C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](C)C3 ZINC000019939922 569018617 /nfs/dbraw/zinc/01/86/17/569018617.db2.gz YGNGRQOGMPMXOF-UHFFFAOYSA-N 1 2 413.568 4.112 50 30 HIEALO C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](C)C3 ZINC000019939922 569018618 /nfs/dbraw/zinc/01/86/18/569018618.db2.gz YGNGRQOGMPMXOF-UHFFFAOYSA-N 1 2 413.568 4.112 50 30 HIEALO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000006880175 569165316 /nfs/dbraw/zinc/16/53/16/569165316.db2.gz ZAIFJFFBRUIDGX-SFHVURJKSA-N 1 2 423.538 4.045 50 30 HIEALO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000006880175 569165317 /nfs/dbraw/zinc/16/53/17/569165317.db2.gz ZAIFJFFBRUIDGX-SFHVURJKSA-N 1 2 423.538 4.045 50 30 HIEALO C=CCOc1ccc(C[N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1 ZINC000013683072 569256925 /nfs/dbraw/zinc/25/69/25/569256925.db2.gz RJBKJWQOGJJOPG-UHFFFAOYSA-N 1 2 403.404 4.139 50 30 HIEALO C=CCOc1ccc(C[N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1 ZINC000013683072 569256927 /nfs/dbraw/zinc/25/69/27/569256927.db2.gz RJBKJWQOGJJOPG-UHFFFAOYSA-N 1 2 403.404 4.139 50 30 HIEALO Cc1[nH+]c2ccccc2n1C[C@H](O)Cn1c2ccc(C)cc2c2c1C(=NO)CCC2 ZINC000252614148 569301040 /nfs/dbraw/zinc/30/10/40/569301040.db2.gz JGLNEYZMCHAXFN-KRWDZBQOSA-N 1 2 402.498 4.184 50 30 aggregator HIEALO N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000027748735 569392950 /nfs/dbraw/zinc/39/29/50/569392950.db2.gz CXSHADRGBLCOMI-FQEVSTJZSA-N 1 2 408.889 4.352 50 30 HIEALO Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000048787883 526402791 /nfs/dbraw/zinc/40/27/91/526402791.db2.gz MZJXKADOBASEDK-SFHVURJKSA-N 1 2 402.479 4.477 50 30 HIEALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@H]2c1cccnc1 ZINC000013003615 558501400 /nfs/dbraw/zinc/50/14/00/558501400.db2.gz XGQDZOFQHOMEGP-IBGZPJMESA-N 1 2 403.511 4.447 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1OC ZINC000013653801 558850887 /nfs/dbraw/zinc/85/08/87/558850887.db2.gz HDXWJGFKVFUHGT-SRMCNWIXSA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1OC ZINC000013653801 558850889 /nfs/dbraw/zinc/85/08/89/558850889.db2.gz HDXWJGFKVFUHGT-SRMCNWIXSA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000013653587 558850943 /nfs/dbraw/zinc/85/09/43/558850943.db2.gz CGJFEVFJSCQNMC-SRMCNWIXSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000013653587 558850945 /nfs/dbraw/zinc/85/09/45/558850945.db2.gz CGJFEVFJSCQNMC-SRMCNWIXSA-N 1 2 409.482 4.400 50 30 HIEALO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccs2)c1 ZINC000094979095 568593311 /nfs/dbraw/zinc/59/33/11/568593311.db2.gz OZVBBNVODJSDTI-HXUWFJFHSA-N 1 2 421.522 4.230 50 30 HIEALO CCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccc(OC)c(Cl)c3)ccc21 ZINC000003036781 568845727 /nfs/dbraw/zinc/84/57/27/568845727.db2.gz KYEYOBXTCVETMH-LPYMAVHISA-N 1 2 402.951 4.442 50 30 HIEALO CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CC[N@H+](C)C2 ZINC000002263088 569325465 /nfs/dbraw/zinc/32/54/65/569325465.db2.gz UNVCFECJFCREGX-AWQFTUOYSA-N 1 2 423.332 4.131 50 30 HIEALO CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CC[N@@H+](C)C2 ZINC000002263088 569325466 /nfs/dbraw/zinc/32/54/66/569325466.db2.gz UNVCFECJFCREGX-AWQFTUOYSA-N 1 2 423.332 4.131 50 30 HIEALO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000105678000 852722210 /nfs/dbraw/zinc/72/22/10/852722210.db2.gz KUUHKHLMBBIGFH-HTJTVTMISA-N 1 2 415.581 4.198 50 30 HIEALO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000040051149 526277386 /nfs/dbraw/zinc/27/73/86/526277386.db2.gz SQVOUNCBPBTHDZ-UHFFFAOYSA-N 1 2 404.518 4.061 50 30 HIEALO O=C(/C=C/N1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(OC(F)F)cc1 ZINC000033796083 527596311 /nfs/dbraw/zinc/59/63/11/527596311.db2.gz XIVIADOGZLSAQJ-MDZDMXLPSA-N 1 2 406.860 4.456 50 30 HIEALO CC[NH+]=C(Nc1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000004611590 557572229 /nfs/dbraw/zinc/57/22/29/557572229.db2.gz JSGSBCOYRBKSDG-QGZVFWFLSA-N 1 2 401.919 4.311 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@H]3C)C2=O)c1 ZINC000013653807 558850953 /nfs/dbraw/zinc/85/09/53/558850953.db2.gz MOACJKZREYOZJW-VUZLNAKASA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@H]3C)C2=O)c1 ZINC000013653807 558850954 /nfs/dbraw/zinc/85/09/54/558850954.db2.gz MOACJKZREYOZJW-VUZLNAKASA-N 1 2 409.482 4.400 50 30 HIEALO CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(C)cc2)NCC[NH+]2CCOCC2)cc1 ZINC000046140706 568430078 /nfs/dbraw/zinc/43/00/78/568430078.db2.gz WJMVPTOXJYBJGI-HXUWFJFHSA-N 1 2 422.573 4.039 50 30 HIEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc(Cl)cc1Cl)[N@H+](C)CC3)OCO2 ZINC000020411244 568605227 /nfs/dbraw/zinc/60/52/27/568605227.db2.gz MCOIXNDOBXKQAW-INIZCTEOSA-N 1 2 420.292 4.342 50 30 HIEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc(Cl)cc1Cl)[N@@H+](C)CC3)OCO2 ZINC000020411244 568605228 /nfs/dbraw/zinc/60/52/28/568605228.db2.gz MCOIXNDOBXKQAW-INIZCTEOSA-N 1 2 420.292 4.342 50 30 HIEALO C=CC[NH+]1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064451988 569062853 /nfs/dbraw/zinc/06/28/53/569062853.db2.gz KEOFFRJAQFAEFQ-UHFFFAOYSA-N 1 2 414.554 4.115 50 30 HIEALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000065260084 569211032 /nfs/dbraw/zinc/21/10/32/569211032.db2.gz USAKMYBFKNHZMO-XMMPIXPASA-N 1 2 401.514 4.077 50 30 HIEALO COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)o2)cc1 ZINC000027750049 569392944 /nfs/dbraw/zinc/39/29/44/569392944.db2.gz XUCMVFGFYGEUSD-QFIPXVFZSA-N 1 2 418.497 4.016 50 30 HIEALO COc1cccc(-c2cc(C(F)(F)F)c(C#N)c(SCC[NH+]3CCOCC3)n2)c1 ZINC000012952929 569405225 /nfs/dbraw/zinc/40/52/25/569405225.db2.gz KKVJNXJQQPNLME-UHFFFAOYSA-N 1 2 423.460 4.072 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000036066012 524801049 /nfs/dbraw/zinc/80/10/49/524801049.db2.gz DAVAYDQMGPVISK-HJGVYBFFSA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000036066012 524801059 /nfs/dbraw/zinc/80/10/59/524801059.db2.gz DAVAYDQMGPVISK-HJGVYBFFSA-N 1 2 409.482 4.258 50 30 HIEALO C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccc4c(c2)OCO4)O3)C1 ZINC000020624638 524884359 /nfs/dbraw/zinc/88/43/59/524884359.db2.gz UUVNITKCSVJHDM-FBXWPYFKSA-N 1 2 407.466 4.215 50 30 HIEALO CCOC(=O)c1c(/N=C/c2cc(Cl)cc(OC)c2O)sc2c1CC[N@H+](C)C2 ZINC000002266367 557683058 /nfs/dbraw/zinc/68/30/58/557683058.db2.gz VJFQHMSEXXPMRU-ZVBGSRNCSA-N 1 2 408.907 4.031 50 30 HIEALO CCOC(=O)c1c(/N=C/c2cc(Cl)cc(OC)c2O)sc2c1CC[N@@H+](C)C2 ZINC000002266367 557683060 /nfs/dbraw/zinc/68/30/60/557683060.db2.gz VJFQHMSEXXPMRU-ZVBGSRNCSA-N 1 2 408.907 4.031 50 30 HIEALO CC(C)(C)c1oncc1C(=O)ONC(=[NH2+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012369136 558389153 /nfs/dbraw/zinc/38/91/53/558389153.db2.gz XCDAPZCDNIIOAI-UHFFFAOYSA-N 1 2 423.313 4.487 50 30 HIEALO FC(F)(F)c1ccccc1NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013519892 558536573 /nfs/dbraw/zinc/53/65/73/558536573.db2.gz USAZRKNGNDXCGM-UHFFFAOYSA-N 1 2 423.460 4.169 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000013653576 558558337 /nfs/dbraw/zinc/55/83/37/558558337.db2.gz DAVAYDQMGPVISK-SRMCNWIXSA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000013653576 558558338 /nfs/dbraw/zinc/55/83/38/558558338.db2.gz DAVAYDQMGPVISK-SRMCNWIXSA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCC(C)CC3)C2=O)c1 ZINC000013653835 558851092 /nfs/dbraw/zinc/85/10/92/558851092.db2.gz KQFQRBSHCLVXKL-XKZIYDEJSA-N 1 2 409.482 4.258 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000023866552 559181246 /nfs/dbraw/zinc/18/12/46/559181246.db2.gz DLWDBMQXYIMCSW-UHFFFAOYSA-N 1 2 405.885 4.430 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875932 560830698 /nfs/dbraw/zinc/83/06/98/560830698.db2.gz JBSITHXZPKMWGY-YDJIHCHBSA-N 1 2 421.884 4.049 50 30 HIEALO O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000102875932 560830699 /nfs/dbraw/zinc/83/06/99/560830699.db2.gz JBSITHXZPKMWGY-YDJIHCHBSA-N 1 2 421.884 4.049 50 30 HIEALO O=[N+]([O-])c1cc([N+](=O)[O-])c(C=[NH+]Nc2ccccc2)cc1C=NNc1ccccc1 ZINC000245239973 568736125 /nfs/dbraw/zinc/73/61/25/568736125.db2.gz NOVQSYNGBUBTNR-UHFFFAOYSA-N 1 2 404.386 4.395 50 30 HIEALO C[C@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000012742543 568929480 /nfs/dbraw/zinc/92/94/80/568929480.db2.gz ZYOOYEANQJKUOP-OAHLLOKOSA-N 1 2 408.506 4.371 50 30 HIEALO C=CCOc1ccc(/C=C2\SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000012379081 568994764 /nfs/dbraw/zinc/99/47/64/568994764.db2.gz QFDHDAJACPDBHG-XLNRJJMWSA-N 1 2 419.550 4.040 50 30 HIEALO C=CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1OC ZINC000014527738 569003022 /nfs/dbraw/zinc/00/30/22/569003022.db2.gz GESMSSZWAUBTET-UHFFFAOYSA-N 1 2 401.532 4.201 50 30 HIEALO C=CCCC(=O)N(Cc1cc2ccc(OC)cc2[nH+]c1N1CCCC1)C[C@H]1CCCO1 ZINC000014976189 569004269 /nfs/dbraw/zinc/00/42/69/569004269.db2.gz LQGCEJFKVCOMGO-JOCHJYFZSA-N 1 2 423.557 4.317 50 30 HIEALO C=CC[NH+](CC=C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000019841188 569018511 /nfs/dbraw/zinc/01/85/11/569018511.db2.gz LKRHYHYGIFHIHC-UHFFFAOYSA-N 1 2 402.542 4.131 50 30 HIEALO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000006881950 569168144 /nfs/dbraw/zinc/16/81/44/569168144.db2.gz VVGVHFSSLRZZLT-UHFFFAOYSA-N 1 2 419.312 4.154 50 30 HIEALO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000006881950 569168145 /nfs/dbraw/zinc/16/81/45/569168145.db2.gz VVGVHFSSLRZZLT-UHFFFAOYSA-N 1 2 419.312 4.154 50 30 HIEALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000065260085 569211021 /nfs/dbraw/zinc/21/10/21/569211021.db2.gz USAKMYBFKNHZMO-DEOSSOPVSA-N 1 2 401.514 4.077 50 30 HIEALO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)s1 ZINC000012786432 569403360 /nfs/dbraw/zinc/40/33/60/569403360.db2.gz IAXGZQRAEWVQRB-UHFFFAOYSA-N 1 2 412.740 4.496 50 30 HIEALO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)s1 ZINC000012786432 569403362 /nfs/dbraw/zinc/40/33/62/569403362.db2.gz IAXGZQRAEWVQRB-UHFFFAOYSA-N 1 2 412.740 4.496 50 30 HIEALO C[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000024830747 558614680 /nfs/dbraw/zinc/61/46/80/558614680.db2.gz AXWUHYNQANDBBH-OAHLLOKOSA-N 1 2 408.506 4.371 50 30 HIEALO C[N@H+](Cc1ccccc1Br)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029696200 558719009 /nfs/dbraw/zinc/71/90/09/558719009.db2.gz RNSXOUDUOQGBAQ-INIZCTEOSA-N 1 2 421.298 4.118 50 30 HIEALO C[N@@H+](Cc1ccccc1Br)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029696200 558719011 /nfs/dbraw/zinc/71/90/11/558719011.db2.gz RNSXOUDUOQGBAQ-INIZCTEOSA-N 1 2 421.298 4.118 50 30 HIEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000095170311 559079418 /nfs/dbraw/zinc/07/94/18/559079418.db2.gz GZDKAOSNUQSMQD-QFIPXVFZSA-N 1 2 415.493 4.169 50 30 HIEALO Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000095170311 559079419 /nfs/dbraw/zinc/07/94/19/559079419.db2.gz GZDKAOSNUQSMQD-QFIPXVFZSA-N 1 2 415.493 4.169 50 30 HIEALO CCCSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(O)cc1 ZINC000044973512 560898315 /nfs/dbraw/zinc/89/83/15/560898315.db2.gz AKPQKEKCLIHQRW-MRXNPFEDSA-N 1 2 410.543 4.467 50 30 HIEALO C=CCn1cnnc1Sc1nc(C[NH+]2CCC(C)CC2)nc2sc(C)c(C)c21 ZINC000012916057 568997568 /nfs/dbraw/zinc/99/75/68/568997568.db2.gz GPMADTOISKQJPJ-UHFFFAOYSA-N 1 2 414.604 4.469 50 30 HIEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C/c1cn(C)c3ccc(OC)cc13)O2 ZINC000028182433 520742372 /nfs/dbraw/zinc/74/23/72/520742372.db2.gz QQVUQYJDNJZNEV-JJFYIABZSA-N 1 2 406.482 4.351 50 30 HIEALO COc1ccccc1NC(NC(=O)c1cccs1)=[NH+]CCc1c[nH]c2ccccc12 ZINC000032943101 524329040 /nfs/dbraw/zinc/32/90/40/524329040.db2.gz PLMMEHRZZXHQSH-UHFFFAOYSA-N 1 2 418.522 4.488 50 30 HIEALO N#Cc1ccc(CN2CC[NH+](Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000022770875 557818294 /nfs/dbraw/zinc/81/82/94/557818294.db2.gz MWAKQQSAAIDFNH-UHFFFAOYSA-N 1 2 413.550 4.252 50 30 HIEALO CCSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000004331416 558263148 /nfs/dbraw/zinc/26/31/48/558263148.db2.gz MNVYKJWUJQZGTA-KRWDZBQOSA-N 1 2 423.586 4.437 50 30 HIEALO COc1ccc(Br)cc1/C=N/N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015906532 558761730 /nfs/dbraw/zinc/76/17/30/558761730.db2.gz PWNRXLPGTMNZKW-LPYMAVHISA-N 1 2 422.754 4.263 50 30 HIEALO Cc1cc(NN=Cc2cc(Br)ccc2O)nc(NCc2ccccc2)[nH+]1 ZINC000004856639 559192685 /nfs/dbraw/zinc/19/26/85/559192685.db2.gz ZRJWHKXJNTWQDA-WSDLNYQXSA-N 1 2 412.291 4.311 50 30 HIEALO Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCCCn4cc[nH+]c4)o3)o2)c1 ZINC000020891061 568647710 /nfs/dbraw/zinc/64/77/10/568647710.db2.gz LOKKBVMLPRCORV-UHFFFAOYSA-N 1 2 403.442 4.392 50 30 HIEALO C=CCn1c(COc2ccccc2F)nnc1SCc1cn2c(cccc2C)[nH+]1 ZINC000058155882 568893051 /nfs/dbraw/zinc/89/30/51/568893051.db2.gz PCUVOOJVYGUARQ-UHFFFAOYSA-N 1 2 409.490 4.431 50 30 HIEALO O=C(N=C(Nc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000015729152 568979641 /nfs/dbraw/zinc/97/96/41/568979641.db2.gz CGCHZCLQFXBPEH-UHFFFAOYSA-N 1 2 416.500 4.252 50 30 HIEALO CC(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)[NH+]2CCOCC2)cc1 ZINC000035672736 569048642 /nfs/dbraw/zinc/04/86/42/569048642.db2.gz HWVWLPMPMABMHV-QFIPXVFZSA-N 1 2 417.513 4.217 50 30 HIEALO O=C1c2ccc(O)c(C[NH+]3CCCC3)c2O/C1=C\c1cccc(Br)c1 ZINC000002330234 569375831 /nfs/dbraw/zinc/37/58/31/569375831.db2.gz MTJLYWYCXDFMIH-WQRHYEAKSA-N 1 2 400.272 4.367 50 30 HIEALO Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCCCn4cc[nH+]c4)o3)o2)cc1 ZINC000008845068 571125415 /nfs/dbraw/zinc/12/54/15/571125415.db2.gz PJALEHGIHFHMBL-UHFFFAOYSA-N 1 2 403.442 4.392 50 30 HIEALO N#Cc1c2nc3ccccc3n2c(N2CCN(c3cccc[nH+]3)CC2)cc1C(F)(F)F ZINC000009360612 132339051 /nfs/dbraw/zinc/33/90/51/132339051.db2.gz UPXGCDAVBBLAKG-UHFFFAOYSA-N 1 2 422.414 4.100 50 30 HIEALO C=CC[NH+](CC=C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000023339846 518770420 /nfs/dbraw/zinc/77/04/20/518770420.db2.gz FFPLEMFDPKHFCH-UHFFFAOYSA-N 1 2 420.944 4.360 50 30 HIEALO C=CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1[C@@H]1COc2ccccc2O1 ZINC000032923191 519165987 /nfs/dbraw/zinc/16/59/87/519165987.db2.gz UUFQCDSVFTVNTQ-FQEVSTJZSA-N 1 2 412.559 4.477 50 30 HIEALO C=CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1[C@@H]1COc2ccccc2O1 ZINC000032923191 519165998 /nfs/dbraw/zinc/16/59/98/519165998.db2.gz UUFQCDSVFTVNTQ-FQEVSTJZSA-N 1 2 412.559 4.477 50 30 HIEALO CC[NH+]=C(Nc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000027530936 521510312 /nfs/dbraw/zinc/51/03/12/521510312.db2.gz CJBULKDJBWMULE-QGZVFWFLSA-N 1 2 417.918 4.011 50 30 HIEALO [NH2+]=C(CSc1ncccc1C(F)(F)F)NOC(=O)Nc1cccc(Cl)c1 ZINC000004365342 557547276 /nfs/dbraw/zinc/54/72/76/557547276.db2.gz AJPOLUMZHIWDAD-UHFFFAOYSA-N 1 2 404.801 4.367 50 30 HIEALO Cc1cc(Oc2ccc(C(=[NH2+])NOC(=O)C3CC3)cc2[N+](=O)[O-])cc(C)c1Cl ZINC000004394448 557551459 /nfs/dbraw/zinc/55/14/59/557551459.db2.gz CYJCVKAHENLNLV-UHFFFAOYSA-N 1 2 403.822 4.231 50 30 HIEALO COc1ccc(Br)cc1/C=N/N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019771534 558279958 /nfs/dbraw/zinc/27/99/58/558279958.db2.gz VFLACYBMNGYBML-LPYMAVHISA-N 1 2 422.754 4.263 50 30 HIEALO Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000018036710 558829761 /nfs/dbraw/zinc/82/97/61/558829761.db2.gz LLHFLLSTSHSUBP-HXUWFJFHSA-N 1 2 412.917 4.097 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c(OC)c1 ZINC000013653869 558851157 /nfs/dbraw/zinc/85/11/57/558851157.db2.gz FWTGKIXGYPRUSM-MFLNWZAWSA-N 1 2 409.482 4.258 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c(OC)c1 ZINC000013653869 558851160 /nfs/dbraw/zinc/85/11/60/558851160.db2.gz FWTGKIXGYPRUSM-MFLNWZAWSA-N 1 2 409.482 4.258 50 30 HIEALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)Nc1ccc(C)cc1C)C2 ZINC000097112522 558994853 /nfs/dbraw/zinc/99/48/53/558994853.db2.gz FNBSMDJZULSCLL-DEOSSOPVSA-N 1 2 421.545 4.252 50 30 HIEALO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccc2)c1 ZINC000096325042 559110120 /nfs/dbraw/zinc/11/01/20/559110120.db2.gz WKCZQXNJVIOFOY-JOCHJYFZSA-N 1 2 415.493 4.169 50 30 HIEALO Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccc2)c1 ZINC000096325042 559110122 /nfs/dbraw/zinc/11/01/22/559110122.db2.gz WKCZQXNJVIOFOY-JOCHJYFZSA-N 1 2 415.493 4.169 50 30 HIEALO CC[NH+]1CCN(c2ccc(C(=O)/C=C/c3ccc(OC(F)F)cc3)cc2F)CC1 ZINC000007586391 560635667 /nfs/dbraw/zinc/63/56/67/560635667.db2.gz MVEDSPXLSARDHH-BJMVGYQFSA-N 1 2 404.432 4.465 50 30 HIEALO C=CC[NH+]1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000064451998 569062860 /nfs/dbraw/zinc/06/28/60/569062860.db2.gz PEQWPROQFWEITM-UHFFFAOYSA-N 1 2 414.554 4.115 50 30 HIEALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(C)(C#N)CC4)csc3C2)nc1 ZINC000426441753 569073106 /nfs/dbraw/zinc/07/31/06/569073106.db2.gz KDJJNHABAVSAAI-UHFFFAOYSA-N 1 2 408.571 4.030 50 30 HIEALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(C)(C#N)CC4)csc3C2)nc1 ZINC000426441753 569073107 /nfs/dbraw/zinc/07/31/07/569073107.db2.gz KDJJNHABAVSAAI-UHFFFAOYSA-N 1 2 408.571 4.030 50 30 HIEALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@](C)(C#N)C4)csc3C2)nc1 ZINC000426477736 569073182 /nfs/dbraw/zinc/07/31/82/569073182.db2.gz MONWSTWQRZVERR-HSZRJFAPSA-N 1 2 408.571 4.030 50 30 HIEALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@](C)(C#N)C4)csc3C2)nc1 ZINC000426477736 569073183 /nfs/dbraw/zinc/07/31/83/569073183.db2.gz MONWSTWQRZVERR-HSZRJFAPSA-N 1 2 408.571 4.030 50 30 HIEALO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000009549162 571267984 /nfs/dbraw/zinc/26/79/84/571267984.db2.gz RQFQGKXLZFYSGI-HSZRJFAPSA-N 1 2 415.541 4.139 50 30 HIEALO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000009549162 571267986 /nfs/dbraw/zinc/26/79/86/571267986.db2.gz RQFQGKXLZFYSGI-HSZRJFAPSA-N 1 2 415.541 4.139 50 30 HIEALO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Br)s1 ZINC000009593573 571272025 /nfs/dbraw/zinc/27/20/25/571272025.db2.gz URNLGWBHYFOTDK-UHFFFAOYSA-N 1 2 424.389 4.393 50 30 HIEALO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Br)s1 ZINC000009593573 571272027 /nfs/dbraw/zinc/27/20/27/571272027.db2.gz URNLGWBHYFOTDK-UHFFFAOYSA-N 1 2 424.389 4.393 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@H]3C)C2=O)c1 ZINC000036066000 524800451 /nfs/dbraw/zinc/80/04/51/524800451.db2.gz MOACJKZREYOZJW-IKMPRTQCSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3C[N@H+]3CCCC[C@H]3C)C2=O)c1 ZINC000036066000 524800457 /nfs/dbraw/zinc/80/04/57/524800457.db2.gz MOACJKZREYOZJW-IKMPRTQCSA-N 1 2 409.482 4.400 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009046199 527672658 /nfs/dbraw/zinc/67/26/58/527672658.db2.gz HJGXDKNQPMJBBF-HXUWFJFHSA-N 1 2 421.884 4.205 50 30 HIEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000009046199 527672660 /nfs/dbraw/zinc/67/26/60/527672660.db2.gz HJGXDKNQPMJBBF-HXUWFJFHSA-N 1 2 421.884 4.205 50 30 HIEALO [NH2+]=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000004200272 557528392 /nfs/dbraw/zinc/52/83/92/557528392.db2.gz LLKJPXNAMOFFSS-UHFFFAOYSA-N 1 2 412.405 4.287 50 30 HIEALO [NH2+]=C(NC(=NS(=O)(=O)c1ccccc1)c1ccccc1)SCc1ccccc1 ZINC000018176137 558832731 /nfs/dbraw/zinc/83/27/31/558832731.db2.gz LYDZSVLYOZQHQK-UHFFFAOYSA-N 1 2 409.536 4.070 50 30 HIEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000095170310 559079403 /nfs/dbraw/zinc/07/94/03/559079403.db2.gz GZDKAOSNUQSMQD-JOCHJYFZSA-N 1 2 415.493 4.169 50 30 HIEALO Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000095170310 559079404 /nfs/dbraw/zinc/07/94/04/559079404.db2.gz GZDKAOSNUQSMQD-JOCHJYFZSA-N 1 2 415.493 4.169 50 30 HIEALO CC[NH+]=C(Nc1ccc(F)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000103458503 559155773 /nfs/dbraw/zinc/15/57/73/559155773.db2.gz IDBWDEKMPIKJAL-INIZCTEOSA-N 1 2 405.882 4.141 50 30 HIEALO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961568 568813668 /nfs/dbraw/zinc/81/36/68/568813668.db2.gz CMWJODRNRBOHGA-FQEVSTJZSA-N 1 2 412.537 4.246 50 30 HIEALO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961568 568813671 /nfs/dbraw/zinc/81/36/71/568813671.db2.gz CMWJODRNRBOHGA-FQEVSTJZSA-N 1 2 412.537 4.246 50 30 HIEALO Cc1c(C)n(Cc2cccs2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000012568186 568860875 /nfs/dbraw/zinc/86/08/75/568860875.db2.gz GAMQXMMCOAOCQP-OAQYLSRUSA-N 1 2 421.570 4.201 50 30 HIEALO Cc1c(C)n(Cc2cccs2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000012568186 568860877 /nfs/dbraw/zinc/86/08/77/568860877.db2.gz GAMQXMMCOAOCQP-OAQYLSRUSA-N 1 2 421.570 4.201 50 30 HIEALO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096781188 852554711 /nfs/dbraw/zinc/55/47/11/852554711.db2.gz KUUHKHLMBBIGFH-ZLKQXCLISA-N 1 2 415.581 4.198 50 30 HIEALO C=CCO[C@@H](C[NH+]1CCN(C(=O)CCC2CCCC2)CC1)c1cccc(OC)c1 ZINC000034915501 518997517 /nfs/dbraw/zinc/99/75/17/518997517.db2.gz MVHNOMDOMVNCTN-QHCPKHFHSA-N 1 2 400.563 4.054 50 30 HIEALO C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)n2)c1C ZINC000025715702 519166803 /nfs/dbraw/zinc/16/68/03/519166803.db2.gz MOLHOTYUJBEFMC-UHFFFAOYSA-N 1 2 404.499 4.247 50 30 HIEALO CCSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(N(C)C)cc1 ZINC000004331420 558263102 /nfs/dbraw/zinc/26/31/02/558263102.db2.gz MNVYKJWUJQZGTA-QGZVFWFLSA-N 1 2 423.586 4.437 50 30 HIEALO Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000072286873 558717854 /nfs/dbraw/zinc/71/78/54/558717854.db2.gz BMTAFMIESPHEHV-UHFFFAOYSA-N 1 2 413.403 4.035 50 30 HIEALO N#Cc1cccc(S(=O)(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000033116579 558877854 /nfs/dbraw/zinc/87/78/54/558877854.db2.gz LTKSBKDZNUEUQE-UHFFFAOYSA-N 1 2 402.479 4.021 50 30 HIEALO CC[NH+]=C(Nc1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000102845406 560829932 /nfs/dbraw/zinc/82/99/32/560829932.db2.gz GRQLQCMTHXYJIV-QGZVFWFLSA-N 1 2 417.918 4.011 50 30 HIEALO CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2[nH]cc[nH+]2)c2ccc(Cl)cc2)[C@H]1O ZINC000003821976 568926927 /nfs/dbraw/zinc/92/69/27/568926927.db2.gz SMIKIPXIDLITMP-LEWJYISDSA-N 1 2 408.889 4.215 50 30 HIEALO C[C@@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000012742547 568929369 /nfs/dbraw/zinc/92/93/69/568929369.db2.gz ZYOOYEANQJKUOP-HNNXBMFYSA-N 1 2 408.506 4.371 50 30 HIEALO N#CC1(NC(=O)CSc2nc3ccccc3c3[nH+]c4ccccc4n32)CCCCC1 ZINC000004292664 568959759 /nfs/dbraw/zinc/95/97/59/568959759.db2.gz MTWVNTIZFGZJHL-UHFFFAOYSA-N 1 2 415.522 4.470 50 30 HIEALO C[NH+](C)c1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1 ZINC000006830323 569143984 /nfs/dbraw/zinc/14/39/84/569143984.db2.gz PZNSKUSYJDKREZ-DAFNUICNSA-N 1 2 409.449 4.350 50 30 HIEALO CCc1ccc(-c2nc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000012998299 569406203 /nfs/dbraw/zinc/40/62/03/569406203.db2.gz PKFKSHVTXWJZKA-UHFFFAOYSA-N 1 2 416.550 4.202 50 30 HIEALO C=C(OC(=O)c1ccccc1)[C@H](COC(=O)c1ccccc1)[NH2+]Cc1ccccc1 ZINC000059383624 851003389 /nfs/dbraw/zinc/00/33/89/851003389.db2.gz HBJIFPPYVCEQLF-QHCPKHFHSA-N 1 2 401.462 4.373 50 30 HIEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 ZINC000020650785 520741946 /nfs/dbraw/zinc/74/19/46/520741946.db2.gz FFUZXLHTCLDZRQ-OCKHKDLRSA-N 1 2 415.873 4.370 50 30 HIEALO CC[NH+]1CCN(Cc2c3c(c(C)cc2O)C(=O)/C(=C/c2cc4ccccc4o2)O3)CC1 ZINC000022935554 521686414 /nfs/dbraw/zinc/68/64/14/521686414.db2.gz LSHDJKHEUZKSOI-HMAPJEAMSA-N 1 2 418.493 4.201 50 30 HIEALO CC[NH+]1CCN(Cc2c3c(ccc2O)C(=O)/C(=C/c2ccc(C(C)C)cc2)O3)CC1 ZINC000022575557 521687273 /nfs/dbraw/zinc/68/72/73/521687273.db2.gz FAMGBHBYCZSLIS-HAHDFKILSA-N 1 2 406.526 4.269 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 ZINC000020647414 521936234 /nfs/dbraw/zinc/93/62/34/521936234.db2.gz PQNULEWZBCSFOT-NNMJQWOPSA-N 1 2 421.493 4.273 50 30 HIEALO COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4/[NH+]=C/c2cccc3[nH]ccc32)cc1 ZINC000031819056 523883408 /nfs/dbraw/zinc/88/34/08/523883408.db2.gz GFCCGGFLTGAGAB-XODNFHPESA-N 1 2 414.553 4.320 50 30 HIEALO COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3C[NH+]3CCCCC3)C1=O)cn2C ZINC000028182444 525599731 /nfs/dbraw/zinc/59/97/31/525599731.db2.gz LFPBFMIGOXINTN-FMCGGJTJSA-N 1 2 418.493 4.495 50 30 HIEALO N#Cc1cccc(/C=C2\CN(c3cccc[nH+]3)C/C(=C\c3cccc(C#N)c3)C2=O)c1 ZINC000032925449 526696903 /nfs/dbraw/zinc/69/69/03/526696903.db2.gz PJOMHXSLDRRMEY-RNIAWFEPSA-N 1 2 402.457 4.381 50 30 HIEALO CN(C)c1ccc(/C=[NH+]/N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000002981244 557777214 /nfs/dbraw/zinc/77/72/14/557777214.db2.gz KOBUWYFAEIRWGH-MSIOFZDNSA-N 1 2 413.525 4.419 50 30 HIEALO O=C(/C=C/N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000020028605 558322809 /nfs/dbraw/zinc/32/28/09/558322809.db2.gz DTTGXMGPWAIOME-CMDGGOBGSA-N 1 2 406.860 4.456 50 30 HIEALO Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=C[NH2+]Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000016249459 558780908 /nfs/dbraw/zinc/78/09/08/558780908.db2.gz YYGCALZTVUAZRX-AUEPDCJTSA-N 1 2 420.816 4.381 50 30 HIEALO COc1ccc([C@@H]2CC(=O)C3=C(CC(C)(C)CC3=O)N2c2cc[nH+]cc2)cc1OC ZINC000004623239 558885818 /nfs/dbraw/zinc/88/58/18/558885818.db2.gz GMXQXSULXZVLQV-KRWDZBQOSA-N 1 2 406.482 4.263 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCc3ccccc3)CC2)cc1 ZINC000025638459 568867028 /nfs/dbraw/zinc/86/70/28/568867028.db2.gz PIOJOIKPIHRJJD-UHFFFAOYSA-N 1 2 411.505 4.095 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3CCc3ccccc3)CC2)cc1 ZINC000025665280 568907197 /nfs/dbraw/zinc/90/71/97/568907197.db2.gz BUDAJKSMEBSMDY-UHFFFAOYSA-N 1 2 409.533 4.301 50 30 HIEALO C=CCOc1ccc(/C=C2/SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000019865805 569018575 /nfs/dbraw/zinc/01/85/75/569018575.db2.gz QFDHDAJACPDBHG-OQKWZONESA-N 1 2 419.550 4.040 50 30 HIEALO Cc1ccc(S(=O)(=O)c2nc(C=[NH+]Nc3ccccc3)oc2N2CCCCC2)cc1 ZINC000009909317 569251668 /nfs/dbraw/zinc/25/16/68/569251668.db2.gz HRZIQFVJTIYUCT-XQNSMLJCSA-N 1 2 424.526 4.252 50 30 HIEALO Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)o2)cc1 ZINC000027793528 569395277 /nfs/dbraw/zinc/39/52/77/569395277.db2.gz HUYFCBPFQWIFDW-JOCHJYFZSA-N 1 2 402.498 4.316 50 30 HIEALO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000082055759 569403204 /nfs/dbraw/zinc/40/32/04/569403204.db2.gz UDNJLAGKIFBEDG-UHFFFAOYSA-N 1 2 419.503 4.328 50 30 HIEALO CC[NH+]1CCN(c2ccc(C(=O)/C=C\c3ccc(OC(F)F)cc3)cc2F)CC1 ZINC000097992496 852647734 /nfs/dbraw/zinc/64/77/34/852647734.db2.gz MVEDSPXLSARDHH-YHYXMXQVSA-N 1 2 404.432 4.465 50 30 HIEALO C[N@H+](Cc1cccs1)Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N ZINC000025776787 523447089 /nfs/dbraw/zinc/44/70/89/523447089.db2.gz BBPXRRYFWOJEDB-UHFFFAOYSA-N 1 2 406.536 4.342 50 30 HIEALO C[N@@H+](Cc1cccs1)Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N ZINC000025776787 523447098 /nfs/dbraw/zinc/44/70/98/523447098.db2.gz BBPXRRYFWOJEDB-UHFFFAOYSA-N 1 2 406.536 4.342 50 30 HIEALO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccc4c(c2)OCO4)O3)C1 ZINC000013653816 558558319 /nfs/dbraw/zinc/55/83/19/558558319.db2.gz UUVNITKCSVJHDM-YOFPLDQWSA-N 1 2 407.466 4.215 50 30 HIEALO C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccc4c(c2)OCO4)O3)C1 ZINC000013653816 558558321 /nfs/dbraw/zinc/55/83/21/558558321.db2.gz UUVNITKCSVJHDM-YOFPLDQWSA-N 1 2 407.466 4.215 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000017843396 560729369 /nfs/dbraw/zinc/72/93/69/560729369.db2.gz HPBPIVRQUPKQFX-UHFFFAOYSA-N 1 2 409.533 4.425 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102880491 560833755 /nfs/dbraw/zinc/83/37/55/560833755.db2.gz RRPFNDADZWPQMQ-NHFXJNLRSA-N 1 2 421.884 4.049 50 30 HIEALO O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000102880491 560833756 /nfs/dbraw/zinc/83/37/56/560833756.db2.gz RRPFNDADZWPQMQ-NHFXJNLRSA-N 1 2 421.884 4.049 50 30 HIEALO Cc1c(C)n(Cc2cccs2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000012568187 568860892 /nfs/dbraw/zinc/86/08/92/568860892.db2.gz GAMQXMMCOAOCQP-NRFANRHFSA-N 1 2 421.570 4.201 50 30 HIEALO Cc1c(C)n(Cc2cccs2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000012568187 568860893 /nfs/dbraw/zinc/86/08/93/568860893.db2.gz GAMQXMMCOAOCQP-NRFANRHFSA-N 1 2 421.570 4.201 50 30 HIEALO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)c1C#N ZINC000007458139 569388714 /nfs/dbraw/zinc/38/87/14/569388714.db2.gz ZPYDIWJQCSQLNT-UHFFFAOYSA-N 1 2 416.934 4.403 50 30 HIEALO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)c1C#N ZINC000007458139 569388715 /nfs/dbraw/zinc/38/87/15/569388715.db2.gz ZPYDIWJQCSQLNT-UHFFFAOYSA-N 1 2 416.934 4.403 50 30 HIEALO Cc1ccc([C@H](CNc2oc(-c3ccccc3F)nc2C#N)[NH+]2CCOCC2)cc1 ZINC000027793541 569395293 /nfs/dbraw/zinc/39/52/93/569395293.db2.gz VIWSCIVFTARIBD-NRFANRHFSA-N 1 2 406.461 4.146 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000096841618 852556211 /nfs/dbraw/zinc/55/62/11/852556211.db2.gz RPZOJRCJAONAKX-BENRWUELSA-N 1 2 415.468 4.315 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@H]3C)C2=O)c1OC ZINC000020611224 525768917 /nfs/dbraw/zinc/76/89/17/525768917.db2.gz JSRUEBJBIBOHNI-PJMHOZITSA-N 1 2 409.482 4.400 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@H]3C)C2=O)c1OC ZINC000020611224 525768923 /nfs/dbraw/zinc/76/89/23/525768923.db2.gz JSRUEBJBIBOHNI-PJMHOZITSA-N 1 2 409.482 4.400 50 30 HIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009007508 557818678 /nfs/dbraw/zinc/81/86/78/557818678.db2.gz HGHAEKMRGQKFMZ-HXUWFJFHSA-N 1 2 421.884 4.205 50 30 HIEALO O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000009007508 557818681 /nfs/dbraw/zinc/81/86/81/557818681.db2.gz HGHAEKMRGQKFMZ-HXUWFJFHSA-N 1 2 421.884 4.205 50 30 HIEALO Fc1ccc(Br)cc1/C=N/N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019882196 558301292 /nfs/dbraw/zinc/30/12/92/558301292.db2.gz FELSYUPUGJRGQG-WSDLNYQXSA-N 1 2 410.718 4.393 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000013653791 558850875 /nfs/dbraw/zinc/85/08/75/558850875.db2.gz XJDVPTLSFIOCGR-PXNCGERRSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000013653791 558850877 /nfs/dbraw/zinc/85/08/77/558850877.db2.gz XJDVPTLSFIOCGR-PXNCGERRSA-N 1 2 409.482 4.400 50 30 HIEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCC(C)CC3)C2=O)c(OC)c1 ZINC000013653743 558850974 /nfs/dbraw/zinc/85/09/74/558850974.db2.gz OUDWCQGYNVLRIJ-UUYOSTAYSA-N 1 2 409.482 4.258 50 30 HIEALO Cc1c(C)n(Cc2cccs2)c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000036450989 569185561 /nfs/dbraw/zinc/18/55/61/569185561.db2.gz VNAZXVLLETYECC-UHFFFAOYSA-N 1 2 404.539 4.083 50 30 HIEALO Cc1c(C)n(Cc2cccs2)c(NC(=O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000036450989 569185562 /nfs/dbraw/zinc/18/55/62/569185562.db2.gz VNAZXVLLETYECC-UHFFFAOYSA-N 1 2 404.539 4.083 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1 ZINC000040098921 571162449 /nfs/dbraw/zinc/16/24/49/571162449.db2.gz VKTFDJZADGXCRP-UHFFFAOYSA-N 1 2 410.521 4.499 50 30 HIEALO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC000052165796 521028621 /nfs/dbraw/zinc/02/86/21/521028621.db2.gz ACWPDFNIOOFGQR-UHFFFAOYSA-N 1 2 407.514 4.005 50 30 HIEALO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC000052165796 521028630 /nfs/dbraw/zinc/02/86/30/521028630.db2.gz ACWPDFNIOOFGQR-UHFFFAOYSA-N 1 2 407.514 4.005 50 30 HIEALO Cc1cc(=N)n(C(Nc2ccc(Cl)cc2)=[NH+]Cc2ccc3c(c2)OCO3)s1 ZINC000020343792 526097677 /nfs/dbraw/zinc/09/76/77/526097677.db2.gz CJMUSADWTWPQID-UHFFFAOYSA-N 1 2 400.891 4.045 50 30 HIEALO O=[N+]([O-])c1ccc(NN=Cc2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000004616940 557573165 /nfs/dbraw/zinc/57/31/65/557573165.db2.gz NYHPTIGRDFLSOR-JFMUQQRKSA-N 1 2 404.386 4.395 50 30 HIEALO COc1ccc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)cc1Br ZINC000019882194 558301349 /nfs/dbraw/zinc/30/13/49/558301349.db2.gz OHNGBZZTEFSPSV-LPYMAVHISA-N 1 2 422.754 4.263 50 30 HIEALO Cc1ccc(C[N@H+](C)Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)c(C)c1 ZINC000014202366 558637587 /nfs/dbraw/zinc/63/75/87/558637587.db2.gz BNSKVUFAKOUIEI-UHFFFAOYSA-N 1 2 406.555 4.109 50 30 HIEALO Cc1ccc(C[N@@H+](C)Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)c(C)c1 ZINC000014202366 558637588 /nfs/dbraw/zinc/63/75/88/558637588.db2.gz BNSKVUFAKOUIEI-UHFFFAOYSA-N 1 2 406.555 4.109 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000013653820 558851110 /nfs/dbraw/zinc/85/11/10/558851110.db2.gz GGSMOFWEZDPHKD-MNAFEPAFSA-N 1 2 407.466 4.169 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000013653820 558851113 /nfs/dbraw/zinc/85/11/13/558851113.db2.gz GGSMOFWEZDPHKD-MNAFEPAFSA-N 1 2 407.466 4.169 50 30 HIEALO Cn1c(CCc2ccccc2NS(=O)(=O)c2cccc(C#N)c2)[nH+]c2ccccc21 ZINC000021357200 568688327 /nfs/dbraw/zinc/68/83/27/568688327.db2.gz PLJRRWIGILGVHV-UHFFFAOYSA-N 1 2 416.506 4.031 50 30 HIEALO Cc1c(/[NH+]=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000016249089 569030331 /nfs/dbraw/zinc/03/03/31/569030331.db2.gz IVMOECSBMNBSTQ-JLPGSUDCSA-N 1 2 419.485 4.134 50 30 HIEALO O=C1c2ccc(O)c(C[NH+]3CCCC3)c2O/C1=C\c1ccccc1Br ZINC000002431430 569399179 /nfs/dbraw/zinc/39/91/79/569399179.db2.gz SKEWYKPZGKDRAW-WQRHYEAKSA-N 1 2 400.272 4.367 50 30 HIEALO CCc1cccc(/[NH+]=C(\NC(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)c1 ZINC000015729151 524061968 /nfs/dbraw/zinc/06/19/68/524061968.db2.gz YCNKHEDJRJPJHZ-UHFFFAOYSA-N 1 2 412.537 4.489 50 30 HIEALO COC(=O)CNc1ccccc1C(=O)O/C(NC1CCCCC1)=[NH+]\C1CCCCC1 ZINC000004420761 557553918 /nfs/dbraw/zinc/55/39/18/557553918.db2.gz DVBLEPDQTUWBLZ-UHFFFAOYSA-N 1 2 415.534 4.039 50 30 HIEALO Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000008467977 557791705 /nfs/dbraw/zinc/79/17/05/557791705.db2.gz LLHFLLSTSHSUBP-FQEVSTJZSA-N 1 2 412.917 4.097 50 30 HIEALO CCSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(OC)cc1 ZINC000004331407 558263122 /nfs/dbraw/zinc/26/31/22/558263122.db2.gz LJUMPGDYNOXXEI-MRXNPFEDSA-N 1 2 410.543 4.380 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000013653582 558850794 /nfs/dbraw/zinc/85/07/94/558850794.db2.gz YYGORXICUBVULP-RANIVTSPSA-N 1 2 407.466 4.027 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000013653582 558850797 /nfs/dbraw/zinc/85/07/97/558850797.db2.gz YYGORXICUBVULP-RANIVTSPSA-N 1 2 407.466 4.027 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000014241302 559161446 /nfs/dbraw/zinc/16/14/46/559161446.db2.gz XGUTZSGCBSPSLA-UHFFFAOYSA-N 1 2 405.885 4.430 50 30 HIEALO COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000017245918 560705414 /nfs/dbraw/zinc/70/54/14/560705414.db2.gz CGAQMPSMRPVFTK-BKUYFWCQSA-N 1 2 407.466 4.027 50 30 HIEALO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310311 568988553 /nfs/dbraw/zinc/98/85/53/568988553.db2.gz YXZRPDDVWPCUEC-LJQANCHMSA-N 1 2 411.889 4.149 50 30 HIEALO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310311 568988554 /nfs/dbraw/zinc/98/85/54/568988554.db2.gz YXZRPDDVWPCUEC-LJQANCHMSA-N 1 2 411.889 4.149 50 30 HIEALO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310310 568988578 /nfs/dbraw/zinc/98/85/78/568988578.db2.gz YXZRPDDVWPCUEC-IBGZPJMESA-N 1 2 411.889 4.149 50 30 HIEALO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310310 568988579 /nfs/dbraw/zinc/98/85/79/568988579.db2.gz YXZRPDDVWPCUEC-IBGZPJMESA-N 1 2 411.889 4.149 50 30 HIEALO COc1ccc(Br)cc1C=NN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000238937419 569053921 /nfs/dbraw/zinc/05/39/21/569053921.db2.gz VFLACYBMNGYBML-UHFFFAOYSA-N 1 2 422.754 4.263 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c1OC ZINC000020611527 525767138 /nfs/dbraw/zinc/76/71/38/525767138.db2.gz OHEQYTWSNMRIMD-RANIVTSPSA-N 1 2 409.482 4.258 50 30 HIEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[N@H+]3CCC[C@H](C)C3)C2=O)c1OC ZINC000020611527 525767146 /nfs/dbraw/zinc/76/71/46/525767146.db2.gz OHEQYTWSNMRIMD-RANIVTSPSA-N 1 2 409.482 4.258 50 30 HIEALO Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000048787880 526428265 /nfs/dbraw/zinc/42/82/65/526428265.db2.gz MZJXKADOBASEDK-GOSISDBHSA-N 1 2 402.479 4.477 50 30 HIEALO N#Cc1ccccc1NC(=O)CN1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000022822038 557832734 /nfs/dbraw/zinc/83/27/34/557832734.db2.gz QFQKSGSNCJZAKC-UHFFFAOYSA-N 1 2 424.957 4.183 50 30 HIEALO C[NH+]=C(Nc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000096509946 558962174 /nfs/dbraw/zinc/96/21/74/558962174.db2.gz PIGAIGVVNVDOOT-OAHLLOKOSA-N 1 2 408.310 4.266 50 30 HIEALO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(C)cc1C)C2 ZINC000097112520 558994858 /nfs/dbraw/zinc/99/48/58/558994858.db2.gz FNBSMDJZULSCLL-XMMPIXPASA-N 1 2 421.545 4.252 50 30 HIEALO N#Cc1cc2c(nc1SCC(=O)NC1CCCCC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000033317842 559055771 /nfs/dbraw/zinc/05/57/71/559055771.db2.gz AQCIMEZBKDCYNM-UHFFFAOYSA-N 1 2 420.582 4.053 50 30 HIEALO N#Cc1cc2c(nc1SCC(=O)NC1CCCCC1)CC[N@H+](Cc1ccccc1)C2 ZINC000033317842 559055773 /nfs/dbraw/zinc/05/57/73/559055773.db2.gz AQCIMEZBKDCYNM-UHFFFAOYSA-N 1 2 420.582 4.053 50 30 HIEALO C[NH+]=C(Nc1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000102845474 560829903 /nfs/dbraw/zinc/82/99/03/560829903.db2.gz SKHJJRMPSLMBBR-OAHLLOKOSA-N 1 2 408.310 4.266 50 30 HIEALO CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(C)cc2)NCC[NH+]2CCOCC2)cc1 ZINC000046140707 568430009 /nfs/dbraw/zinc/43/00/09/568430009.db2.gz WJMVPTOXJYBJGI-FQEVSTJZSA-N 1 2 422.573 4.039 50 30 HIEALO CCCCOc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)cc1 ZINC000020112759 568588614 /nfs/dbraw/zinc/58/86/14/568588614.db2.gz BYFUYEWBSXPNFZ-DHZHZOJOSA-N 1 2 423.509 4.487 50 30 HIEALO CCCCOc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CC[N@@H+](C)C4)OCO3)cc1 ZINC000020112759 568588617 /nfs/dbraw/zinc/58/86/17/568588617.db2.gz BYFUYEWBSXPNFZ-DHZHZOJOSA-N 1 2 423.509 4.487 50 30 HIEALO CCOC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004063120 568881796 /nfs/dbraw/zinc/88/17/96/568881796.db2.gz OJRXWPNSYMKVBF-HZHRSRAPSA-N 1 2 410.474 4.454 50 30 HIEALO O=C(N/C(=[NH+]/c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000015729147 568979584 /nfs/dbraw/zinc/97/95/84/568979584.db2.gz KMGNCVYDSSGDKM-UHFFFAOYSA-N 1 2 402.473 4.065 50 30 HIEALO CC(C)(C)[C@](O)(CC#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000019972544 569018608 /nfs/dbraw/zinc/01/86/08/569018608.db2.gz DIEVNKLYLIIXGU-VWLOTQADSA-N 1 2 421.541 4.044 50 30 HIEALO CC(C)c1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)[NH+]2CCOCC2)cc1 ZINC000035672733 569048644 /nfs/dbraw/zinc/04/86/44/569048644.db2.gz HWVWLPMPMABMHV-JOCHJYFZSA-N 1 2 417.513 4.217 50 30 HIEALO Cc1ccc([C@@H](CNc2oc(-c3ccccc3F)nc2C#N)[NH+]2CCOCC2)cc1 ZINC000027793539 569395299 /nfs/dbraw/zinc/39/52/99/569395299.db2.gz VIWSCIVFTARIBD-OAQYLSRUSA-N 1 2 406.461 4.146 50 30 HIEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000012986398 569405871 /nfs/dbraw/zinc/40/58/71/569405871.db2.gz RRGZEHFAAGMOSO-UHFFFAOYSA-N 1 2 422.941 4.293 50 30 HIEALO