smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(F)c(F)c1[O-])CC1CC1 ZINC001594787336 981816750 /nfs/dbraw/zinc/81/67/50/981816750.db2.gz APJIFYYFYFUPCZ-MRXNPFEDSA-N -1 1 313.344 3.136 20 10 DGCDMM CCCN(Cc1ccccc1O)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595891475 982926760 /nfs/dbraw/zinc/92/67/60/982926760.db2.gz UHUYHZRRSYCWQI-LLVKDONJSA-N -1 1 304.346 3.052 20 10 DGCDMM C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198719 994174795 /nfs/dbraw/zinc/17/47/95/994174795.db2.gz UVHRBLDPVJEQPU-HTQZYQBOSA-N -1 1 310.350 3.098 20 10 DGCDMM C[C@@H](NCc1cc(F)cnc1Cl)c1cc(C(=O)[O-])ccc1O ZINC001593291607 994668886 /nfs/dbraw/zinc/66/88/86/994668886.db2.gz AGDUJDXGRWEQQO-MRVPVSSYSA-N -1 1 324.739 3.129 20 10 DGCDMM C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C(=O)[O-])C1 ZINC001594424420 999587408 /nfs/dbraw/zinc/58/74/08/999587408.db2.gz SKZHSXZRMYMCEK-UFBFGSQYSA-N -1 1 318.200 3.384 20 10 DGCDMM Cc1cc(CCNC(=O)c2c([O-])c(O)ccc2F)ccc1Cl ZINC001648823721 1081933385 /nfs/dbraw/zinc/93/33/85/1081933385.db2.gz IJSVNTYUXNEVLZ-UHFFFAOYSA-N -1 1 323.751 3.171 20 10 DGCDMM C[C@@H]1Oc2ccc(NCc3cc(F)cc(F)c3[O-])cc2NC1=O ZINC001648862400 1081949080 /nfs/dbraw/zinc/94/90/80/1081949080.db2.gz YZRYGMNATUCNFI-QMMMGPOBSA-N -1 1 320.295 3.002 20 10 DGCDMM O=C(NCC(C1CCC1)C1CCC1)c1c(F)ccc(O)c1[O-] ZINC001648936013 1084127656 /nfs/dbraw/zinc/12/76/56/1084127656.db2.gz NUHIMEZOPXMMQT-UHFFFAOYSA-N -1 1 307.365 3.183 20 10 DGCDMM CSc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001204913353 1087424536 /nfs/dbraw/zinc/42/45/36/1087424536.db2.gz DIOTYXMMRUVVLZ-UHFFFAOYSA-N -1 1 323.805 3.484 20 10 DGCDMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccccc1O ZINC001151885665 1087806356 /nfs/dbraw/zinc/80/63/56/1087806356.db2.gz BBPFPMXDYGHPJQ-LLVKDONJSA-N -1 1 323.348 3.448 20 10 DGCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001159033757 1088152236 /nfs/dbraw/zinc/15/22/36/1088152236.db2.gz NPFRNURMUXCSLN-UHFFFAOYSA-N -1 1 303.745 3.178 20 10 DGCDMM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1c([O-])c(O)ccc1F ZINC001649025841 1088429744 /nfs/dbraw/zinc/42/97/44/1088429744.db2.gz CYEGRCFOGYLPSZ-SECBINFHSA-N -1 1 307.296 3.175 20 10 DGCDMM CCN(Cc1ccccc1C)C(=O)c1c([O-])c(O)ccc1F ZINC001160537871 1088861607 /nfs/dbraw/zinc/86/16/07/1088861607.db2.gz FTJHEIOWCCPZQO-UHFFFAOYSA-N -1 1 303.333 3.208 20 10 DGCDMM C[C@@H]1C(=O)CCN(Cc2c(F)ccc(F)c2[O-])C12CCCC2 ZINC001139688797 1091643817 /nfs/dbraw/zinc/64/38/17/1091643817.db2.gz ATGOLTZQOKIYHP-LLVKDONJSA-N -1 1 309.356 3.394 20 10 DGCDMM [O-]c1cccc(Cl)c1CN1[C@H](CO)CCC[C@H]1C(F)(F)F ZINC001140337788 1091833297 /nfs/dbraw/zinc/83/32/97/1091833297.db2.gz DYUYTJRSIDYQQW-ZANVPECISA-N -1 1 323.742 3.323 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@@H]1COCc1ccccc1 ZINC001139684062 1095345321 /nfs/dbraw/zinc/34/53/21/1095345321.db2.gz PZSRCFMJCOYJRL-CQSZACIVSA-N -1 1 319.351 3.462 20 10 DGCDMM [O-]c1cccc(F)c1CN1Cc2cc(Br)cnc2C1 ZINC001137838731 1095757939 /nfs/dbraw/zinc/75/79/39/1095757939.db2.gz JFPNTNQRNWUSEA-UHFFFAOYSA-N -1 1 323.165 3.205 20 10 DGCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1C(N)=O ZINC001117720852 1095814911 /nfs/dbraw/zinc/81/49/11/1095814911.db2.gz DCEZACGOPQDUQN-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122519 1095896903 /nfs/dbraw/zinc/89/69/03/1095896903.db2.gz KFPDSJIUIQKUCA-LBPRGKRZSA-N -1 1 311.353 3.057 20 10 DGCDMM [O-]c1c(F)cccc1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001138127501 1095899643 /nfs/dbraw/zinc/89/96/43/1095899643.db2.gz GRGQVKHQTHFVMK-UHFFFAOYSA-N -1 1 309.287 3.073 20 10 DGCDMM CN(Cc1cc(C(=O)[O-])ccc1O)Cc1cccc(F)c1F ZINC001231566021 1097780022 /nfs/dbraw/zinc/78/00/22/1097780022.db2.gz HPQJPIJXBOWRIY-UHFFFAOYSA-N -1 1 307.296 3.001 20 10 DGCDMM CN(Cc1cc(C(=O)[O-])ccc1O)Cc1ccc(F)cc1F ZINC001231566320 1097780050 /nfs/dbraw/zinc/78/00/50/1097780050.db2.gz XLCYPUDEINLYQC-UHFFFAOYSA-N -1 1 307.296 3.001 20 10 DGCDMM [O-]c1cc(O)c(CN2Cc3cnc(Cl)cc3C2)cc1Cl ZINC001232264412 1097986840 /nfs/dbraw/zinc/98/68/40/1097986840.db2.gz HDBUBHMTFKVLIC-UHFFFAOYSA-N -1 1 311.168 3.315 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233030771 1098206209 /nfs/dbraw/zinc/20/62/09/1098206209.db2.gz MXXQWEPCMDIDDB-OVYXKVPISA-N -1 1 318.161 3.226 20 10 DGCDMM COc1cccc2c1CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233335730 1098292770 /nfs/dbraw/zinc/29/27/70/1098292770.db2.gz IQSTXEPFBDWPQT-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM [O-]c1c(CN2CC(Oc3cccnc3)C2)cccc1C(F)(F)F ZINC001233417765 1098322267 /nfs/dbraw/zinc/32/22/67/1098322267.db2.gz HHSCKKOKZCJYIZ-UHFFFAOYSA-N -1 1 324.302 3.069 20 10 DGCDMM CN(CC(=O)OC(C)(C)C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416634 1098323118 /nfs/dbraw/zinc/32/31/18/1098323118.db2.gz PLBHYDGHAYTPFV-UHFFFAOYSA-N -1 1 319.323 3.185 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1=C(C)[C@H](CC)OC1=O ZINC001233497825 1098351894 /nfs/dbraw/zinc/35/18/94/1098351894.db2.gz RUIJCIVLJPFXTG-AWEZNQCLSA-N -1 1 320.341 3.069 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001234475663 1098564611 /nfs/dbraw/zinc/56/46/11/1098564611.db2.gz ICFXCQYTPSFJAR-JTQLQIEISA-N -1 1 317.297 3.349 20 10 DGCDMM C/C(=C\c1cccnc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180420016 1099416883 /nfs/dbraw/zinc/41/68/83/1099416883.db2.gz HRVUHDIIJIAJMG-DHZHZOJOSA-N -1 1 302.761 3.160 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(C1)CC(F)(F)CO2 ZINC001237085046 1099965256 /nfs/dbraw/zinc/96/52/56/1099965256.db2.gz SUMWYMVUAGZOJL-UHFFFAOYSA-N -1 1 324.154 3.309 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC(c2ncccn2)CC1 ZINC001237127193 1099984734 /nfs/dbraw/zinc/98/47/34/1099984734.db2.gz VUZSISAYIMOKCQ-UHFFFAOYSA-N -1 1 321.783 3.354 20 10 DGCDMM O=C(Nc1nc2ccc(F)cc2o1)c1ccc(O)c([O-])c1Cl ZINC001193209480 1100717541 /nfs/dbraw/zinc/71/75/41/1100717541.db2.gz LEHSRUOITZITDD-UHFFFAOYSA-N -1 1 322.679 3.284 20 10 DGCDMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193209469 1100717640 /nfs/dbraw/zinc/71/76/40/1100717640.db2.gz KYSDKTNKVCYLIF-UHFFFAOYSA-N -1 1 323.780 3.035 20 10 DGCDMM CC(=O)c1ccsc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193218772 1100717807 /nfs/dbraw/zinc/71/78/07/1100717807.db2.gz DGOHGPPSJAABDC-UHFFFAOYSA-N -1 1 311.746 3.268 20 10 DGCDMM CCc1nccc(C)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193218513 1100717921 /nfs/dbraw/zinc/71/79/21/1100717921.db2.gz AVAWLKPDZDXEAM-UHFFFAOYSA-N -1 1 306.749 3.269 20 10 DGCDMM Cc1cccc(C)c1S(=O)(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001194638813 1100978677 /nfs/dbraw/zinc/97/86/77/1100978677.db2.gz NDZXSIKBRKBRLW-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001253354912 1105926577 /nfs/dbraw/zinc/92/65/77/1105926577.db2.gz CAPREFQKISHYOW-UHFFFAOYSA-N -1 1 323.801 3.333 20 10 DGCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001259177168 1107091838 /nfs/dbraw/zinc/09/18/38/1107091838.db2.gz GNTMOXHVGJVJLF-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM CC[C@H](C)S(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001260742003 1107309020 /nfs/dbraw/zinc/30/90/20/1107309020.db2.gz VNLBDSPIILLMIP-NSHDSACASA-N -1 1 315.394 3.438 20 10 DGCDMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)c(C)n1-c1ccccc1C ZINC001306848481 1111244652 /nfs/dbraw/zinc/24/46/52/1111244652.db2.gz NNGHRERLXWBSAN-UHFFFAOYSA-N -1 1 310.357 3.084 20 10 DGCDMM COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cc1F ZINC001308601753 1111450098 /nfs/dbraw/zinc/45/00/98/1111450098.db2.gz OJHVICQWJXHXAP-UHFFFAOYSA-N -1 1 311.303 3.450 20 10 DGCDMM CC(C)NC(=O)C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000271054992 432323780 /nfs/dbraw/zinc/32/37/80/432323780.db2.gz YQZDBSACGICOGG-UHFFFAOYSA-N -1 1 312.413 3.016 20 10 DGCDMM CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1[O-] ZINC000184001439 432344680 /nfs/dbraw/zinc/34/46/80/432344680.db2.gz QHHAIGHLRCBVDC-SNVBAGLBSA-N -1 1 322.405 3.426 20 10 DGCDMM CC(C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277756895 432874394 /nfs/dbraw/zinc/87/43/94/432874394.db2.gz ODIKYRRBFVSPAL-UHFFFAOYSA-N -1 1 315.211 3.000 20 10 DGCDMM CC(C)[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277427175 432849384 /nfs/dbraw/zinc/84/93/84/432849384.db2.gz DJIMNFLMKCRVPH-VIFPVBQESA-N -1 1 300.196 3.063 20 10 DGCDMM CCc1nsc(NCc2cccc(Br)c2[O-])n1 ZINC000277471025 432853989 /nfs/dbraw/zinc/85/39/89/432853989.db2.gz PXZZLIDWBCFSLL-UHFFFAOYSA-N -1 1 314.208 3.181 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC=CCC1 ZINC000277495195 432855339 /nfs/dbraw/zinc/85/53/39/432855339.db2.gz JUSFNMVUSVIBGA-SNVBAGLBSA-N -1 1 310.191 3.127 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC=CCC1 ZINC000277495191 432855662 /nfs/dbraw/zinc/85/56/62/432855662.db2.gz JUSFNMVUSVIBGA-JTQLQIEISA-N -1 1 310.191 3.127 20 10 DGCDMM CN1c2ccccc2C(C)(C)C1=CC=C1SC(=S)[N-]C1=O ZINC000102117631 290320484 /nfs/dbraw/zinc/32/04/84/290320484.db2.gz GRXBURXHFVDQEI-UQXQTEIVSA-N -1 1 316.451 3.330 20 10 DGCDMM CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1F ZINC000746798491 575475880 /nfs/dbraw/zinc/47/58/80/575475880.db2.gz IPXBBYRUKUTQJP-UHFFFAOYSA-N -1 1 322.767 3.181 20 10 DGCDMM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H](C)O1 ZINC000750045475 575700124 /nfs/dbraw/zinc/70/01/24/575700124.db2.gz RKIUDVUBDGTSPN-HZMBPMFUSA-N -1 1 311.809 3.248 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1nc(-c2ccccc2)cs1 ZINC000726876647 576046708 /nfs/dbraw/zinc/04/67/08/576046708.db2.gz ZJGKWBKWUJSTSM-POHAHGRESA-N -1 1 304.421 3.299 20 10 DGCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1C(C)(C)C ZINC000890757301 617655990 /nfs/dbraw/zinc/65/59/90/617655990.db2.gz BMEKSLWRQOFKOX-UHFFFAOYSA-N -1 1 321.808 3.236 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1noc2c1CCCCC2 ZINC000890759523 617656378 /nfs/dbraw/zinc/65/63/78/617656378.db2.gz MOMDYOHFONBQCL-UHFFFAOYSA-N -1 1 320.776 3.233 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccn(C2CCCC2)n1 ZINC000890759390 617656599 /nfs/dbraw/zinc/65/65/99/617656599.db2.gz ANMQDKFKYZTIAK-UHFFFAOYSA-N -1 1 319.792 3.287 20 10 DGCDMM CO[C@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000890761145 617657142 /nfs/dbraw/zinc/65/71/42/617657142.db2.gz MBZIZUJNLWKRCJ-HNNXBMFYSA-N -1 1 311.809 3.257 20 10 DGCDMM CC1(C)CCCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000789063407 625347428 /nfs/dbraw/zinc/34/74/28/625347428.db2.gz DMZFSNMFDCBGIA-LBPRGKRZSA-N -1 1 306.358 3.040 20 10 DGCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)ccc1[O-] ZINC000857473205 621090146 /nfs/dbraw/zinc/09/01/46/621090146.db2.gz UHXQJDLBMJKUTP-UHFFFAOYSA-N -1 1 315.344 3.046 20 10 DGCDMM C[C@H](Nc1cnn(CC(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000756843406 621667567 /nfs/dbraw/zinc/66/75/67/621667567.db2.gz DXLKBMCIXRQXSQ-ZETCQYMHSA-N -1 1 303.259 3.305 20 10 DGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000758772896 621800692 /nfs/dbraw/zinc/80/06/92/621800692.db2.gz DQAIJVJJQHAULA-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1ccc(C2CC2)nn1 ZINC000762660082 622089968 /nfs/dbraw/zinc/08/99/68/622089968.db2.gz VWXRZJCHSIVSHH-UHFFFAOYSA-N -1 1 320.190 3.434 20 10 DGCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000765732043 622284325 /nfs/dbraw/zinc/28/43/25/622284325.db2.gz OTOZMOLKEABITM-SECBINFHSA-N -1 1 324.174 3.168 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765756876 622285377 /nfs/dbraw/zinc/28/53/77/622285377.db2.gz NRJUCICUYDIZRS-UHFFFAOYSA-N -1 1 306.159 3.085 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000789761931 625563947 /nfs/dbraw/zinc/56/39/47/625563947.db2.gz MOXJROFFFQZLKG-ZDUSSCGKSA-N -1 1 307.752 3.108 20 10 DGCDMM CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000789957541 625587461 /nfs/dbraw/zinc/58/74/61/625587461.db2.gz UAYQCKOLTYUTQR-CYBMUJFWSA-N -1 1 317.360 3.407 20 10 DGCDMM Cc1cc(NCc2cccc(Cl)c2[O-])cc(OCCO)c1 ZINC000775206472 623242029 /nfs/dbraw/zinc/24/20/29/623242029.db2.gz PHXYYMRIUUAGBD-UHFFFAOYSA-N -1 1 307.777 3.337 20 10 DGCDMM CC1(C)N[C@@H](c2cc(Cl)ccc2[O-])N(c2ccccc2)C1=O ZINC000877857563 624071433 /nfs/dbraw/zinc/07/14/33/624071433.db2.gz UOSLVARPIFVYAY-OAHLLOKOSA-N -1 1 316.788 3.459 20 10 DGCDMM Cc1ccc2c(c1)N[C@@H](c1cc(Cl)cc(F)c1[O-])NC2=O ZINC000877864620 624073999 /nfs/dbraw/zinc/07/39/99/624073999.db2.gz OYJNORUPTCIGQG-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM CC[C@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781901093 624164547 /nfs/dbraw/zinc/16/45/47/624164547.db2.gz MAEQQYLOTQRCCM-LBPRGKRZSA-N -1 1 314.223 3.074 20 10 DGCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000783458889 624354658 /nfs/dbraw/zinc/35/46/58/624354658.db2.gz ZNPUUDDQBRNQAE-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM CCCCCC[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783864420 624402029 /nfs/dbraw/zinc/40/20/29/624402029.db2.gz JMUFASOJZWWAKG-LBPRGKRZSA-N -1 1 308.374 3.430 20 10 DGCDMM Cc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784211329 624455114 /nfs/dbraw/zinc/45/51/14/624455114.db2.gz VZWVCUADNSTSNS-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM CC1(C)CCC(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000784247457 624463759 /nfs/dbraw/zinc/46/37/59/624463759.db2.gz SYZMTCWXBYIKFD-UHFFFAOYSA-N -1 1 306.358 3.040 20 10 DGCDMM CC[C@@H](C)CCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784675394 624569807 /nfs/dbraw/zinc/56/98/07/624569807.db2.gz IRCUJRIPFAOUKQ-GFCCVEGCSA-N -1 1 308.374 3.430 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(O[C@@H]2CCOC2)cc1 ZINC000883016451 625897103 /nfs/dbraw/zinc/89/71/03/625897103.db2.gz ZMSKBHGPQCFLEP-OAHLLOKOSA-N -1 1 321.323 3.450 20 10 DGCDMM COCCOCc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883190681 625962949 /nfs/dbraw/zinc/96/29/49/625962949.db2.gz JVOIAFXUNWIQLJ-UHFFFAOYSA-N -1 1 323.339 3.446 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883382202 626667648 /nfs/dbraw/zinc/66/76/48/626667648.db2.gz BGBGYBDFZBFJDL-WBVHZDCISA-N -1 1 316.332 3.416 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](CO)Cc2ccccc21 ZINC000814169762 627545798 /nfs/dbraw/zinc/54/57/98/627545798.db2.gz MNDYMCTYMHCHRD-NSHDSACASA-N -1 1 321.779 3.356 20 10 DGCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1C(N)=O ZINC000816526814 627802101 /nfs/dbraw/zinc/80/21/01/627802101.db2.gz PSIKMZWZFXQDJR-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM CNC(=O)c1ccc(C)c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525552 627802696 /nfs/dbraw/zinc/80/26/96/627802696.db2.gz YPQCJGQUCIWDRF-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM Cc1ccc([C@@H]2CCN(C(=O)c3c([O-])c(O)ccc3F)C2)cc1 ZINC000828316806 629044029 /nfs/dbraw/zinc/04/40/29/629044029.db2.gz NSLAJWIWSCLQSS-CYBMUJFWSA-N -1 1 315.344 3.175 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](c2ccccc2)C1 ZINC000832826555 629519550 /nfs/dbraw/zinc/51/95/50/629519550.db2.gz MGOPPJLMIFGAIU-CYBMUJFWSA-N -1 1 315.344 3.257 20 10 DGCDMM O=C([O-])N1CCC([N@@H+](Cc2cccc(Cl)c2[O-])C2CC2)CC1 ZINC000834085819 629668676 /nfs/dbraw/zinc/66/86/76/629668676.db2.gz VVOUAMRQWFSKJS-UHFFFAOYSA-N -1 1 324.808 3.152 20 10 DGCDMM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cccc(Cl)c1[O-])N2 ZINC000102417648 630103757 /nfs/dbraw/zinc/10/37/57/630103757.db2.gz BXKYXOYZBFXJMQ-OAHLLOKOSA-N -1 1 318.760 3.251 20 10 DGCDMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000102884969 630302085 /nfs/dbraw/zinc/30/20/85/630302085.db2.gz KWOQEDYWDRKYTP-UHFFFAOYSA-N -1 1 311.381 3.313 20 10 DGCDMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000102884969 630302088 /nfs/dbraw/zinc/30/20/88/630302088.db2.gz KWOQEDYWDRKYTP-UHFFFAOYSA-N -1 1 311.381 3.313 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C1CC2(CCC2)C1 ZINC000843867015 630702197 /nfs/dbraw/zinc/70/21/97/630702197.db2.gz IHVBTQWOVLSSRN-UHFFFAOYSA-N -1 1 324.218 3.351 20 10 DGCDMM C[C@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCc2ccccc21 ZINC000846662016 631281205 /nfs/dbraw/zinc/28/12/05/631281205.db2.gz PLMDHOJOEAYHLJ-NSHDSACASA-N -1 1 315.344 3.039 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)OC[C@H]2C)c1[O-] ZINC000852441998 632603956 /nfs/dbraw/zinc/60/39/56/632603956.db2.gz VVDHRPYMSSMZKM-LLVKDONJSA-N -1 1 323.820 3.392 20 10 DGCDMM CCn1ncnc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000794840192 661108588 /nfs/dbraw/zinc/10/85/88/661108588.db2.gz HCBUZRBTEQPENL-QMMMGPOBSA-N -1 1 315.204 3.161 20 10 DGCDMM COc1cc(Cl)c(C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000255527744 655791070 /nfs/dbraw/zinc/79/10/70/655791070.db2.gz SVGQCJKUJZRYCN-OQFOIZHKSA-N -1 1 320.222 3.491 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](C1CC1)C(F)(F)F ZINC000931436655 661476289 /nfs/dbraw/zinc/47/62/89/661476289.db2.gz JWJZKLUIEINKFM-LLVKDONJSA-N -1 1 322.714 3.186 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc2c1CCN2 ZINC001580718790 1192038308 /nfs/dbraw/zinc/03/83/08/1192038308.db2.gz QEQQCMIRNQBZGK-UHFFFAOYSA-N -1 1 317.776 3.335 20 10 DGCDMM C(=Cc1ccc(N2CCCC2)cc1)c1nc(-c2nnn[n-]2)cs1 ZINC001588381642 1192446025 /nfs/dbraw/zinc/44/60/25/1192446025.db2.gz MUWNMUFHDCDYSN-YVMONPNESA-N -1 1 324.413 3.094 20 10 DGCDMM C(=Cc1ccc(N2CCCC2)cc1)c1nc(-c2nn[n-]n2)cs1 ZINC001588381642 1192446028 /nfs/dbraw/zinc/44/60/28/1192446028.db2.gz MUWNMUFHDCDYSN-YVMONPNESA-N -1 1 324.413 3.094 20 10 DGCDMM O=C([O-])CN(Cc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC001602060229 1192957072 /nfs/dbraw/zinc/95/70/72/1192957072.db2.gz YTRIXWSBTVQXFH-UHFFFAOYSA-N -1 1 323.751 3.272 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCC[C@@H](F)C1 ZINC001357162280 1181362752 /nfs/dbraw/zinc/36/27/52/1181362752.db2.gz SORZIVOWBUUNRD-GHMZBOCLSA-N -1 1 300.761 3.126 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC001457038240 1182441036 /nfs/dbraw/zinc/44/10/36/1182441036.db2.gz PNDNPFFZCNAABF-UHFFFAOYSA-N -1 1 324.695 3.023 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc2c1C(=O)CC2 ZINC001457033177 1182441242 /nfs/dbraw/zinc/44/12/42/1182441242.db2.gz BQNYNTSUGHALSQ-UHFFFAOYSA-N -1 1 315.756 3.105 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1Cc2ccccc2C1 ZINC001457035544 1182441278 /nfs/dbraw/zinc/44/12/78/1182441278.db2.gz IXAYFWWJDXBLIX-UHFFFAOYSA-N -1 1 301.773 3.077 20 10 DGCDMM CO[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001472317013 1183634108 /nfs/dbraw/zinc/63/41/08/1183634108.db2.gz QYNBGXADBSGHJW-HNNXBMFYSA-N -1 1 305.761 3.050 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1cnn(CC(F)F)c1 ZINC001474054590 1183858804 /nfs/dbraw/zinc/85/88/04/1183858804.db2.gz KRRANKANZXBZHV-UHFFFAOYSA-N -1 1 305.687 3.258 20 10 DGCDMM O=C1CCc2cc(NCc3cc(F)cc(F)c3[O-])c(F)cc2N1 ZINC001474120730 1183871773 /nfs/dbraw/zinc/87/17/73/1183871773.db2.gz CMBZQUWAGSPWEQ-UHFFFAOYSA-N -1 1 322.286 3.306 20 10 DGCDMM Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811284 1193259826 /nfs/dbraw/zinc/25/98/26/1193259826.db2.gz OYVNHSDMFYKYSY-UWVGGRQHSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001610737859 1193406039 /nfs/dbraw/zinc/40/60/39/1193406039.db2.gz DFVAOIURWUPKNL-MRXNPFEDSA-N -1 1 311.381 3.232 20 10 DGCDMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc(F)ccc1O ZINC001610801845 1193409323 /nfs/dbraw/zinc/40/93/23/1193409323.db2.gz VTDXMZJCTFDLQQ-HOTGVXAUSA-N -1 1 315.344 3.322 20 10 DGCDMM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cccc(Cl)c1[O-] ZINC001613057026 1193466683 /nfs/dbraw/zinc/46/66/83/1193466683.db2.gz VLUZHINMJKPRRQ-UHFFFAOYSA-N -1 1 323.692 3.474 20 10 DGCDMM O=C(c1ccc2ccccc2c1[O-])N1Cc2cccc(O)c2C1 ZINC001558035826 1189100810 /nfs/dbraw/zinc/10/08/10/1189100810.db2.gz MWRMPPHTGAEVNZ-UHFFFAOYSA-N -1 1 305.333 3.407 20 10 DGCDMM CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1noc(C)n1 ZINC001559736977 1189236375 /nfs/dbraw/zinc/23/63/75/1189236375.db2.gz SKCWPCUAFDLJBT-CYBMUJFWSA-N -1 1 323.780 3.181 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1cnn(-c2ccccn2)c1 ZINC001560400045 1189324123 /nfs/dbraw/zinc/32/41/23/1189324123.db2.gz QCOOJHOEXPEAIZ-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM [O-]c1c(CN[C@@H]2COc3cc(F)cc(F)c32)ccc(F)c1F ZINC001560750843 1189374066 /nfs/dbraw/zinc/37/40/66/1189374066.db2.gz CKOPLSCWNYHLGO-LLVKDONJSA-N -1 1 313.250 3.172 20 10 DGCDMM Cc1cc(C)cc(OCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001637219232 1194658308 /nfs/dbraw/zinc/65/83/08/1194658308.db2.gz YZUCBVUPDKBKIN-UHFFFAOYSA-N -1 1 319.788 3.358 20 10 DGCDMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1c([O-])c(O)ccc1F ZINC001654526295 1195813426 /nfs/dbraw/zinc/81/34/26/1195813426.db2.gz PQAFQKWIZCGIKD-CMPLNLGQSA-N -1 1 321.735 3.176 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccn(CC(F)F)n1 ZINC001655914741 1195977054 /nfs/dbraw/zinc/97/70/54/1195977054.db2.gz QDAXEWCMBNQDIH-UHFFFAOYSA-N -1 1 305.687 3.258 20 10 DGCDMM O=C1CCN1c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001657269944 1196125865 /nfs/dbraw/zinc/12/58/65/1196125865.db2.gz MLMLZZNAASAYBW-UHFFFAOYSA-N -1 1 304.296 3.019 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccnc1OCC(F)F ZINC001657590720 1196158026 /nfs/dbraw/zinc/15/80/26/1196158026.db2.gz FJZDPRCOBSQQDU-UHFFFAOYSA-N -1 1 316.254 3.321 20 10 DGCDMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cccc(Cl)c1[O-] ZINC001676091124 1198225142 /nfs/dbraw/zinc/22/51/42/1198225142.db2.gz BLHOXLSBWJFEPM-DMDPSCGWSA-N -1 1 308.809 3.281 20 10 DGCDMM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000244329692 1203611497 /nfs/dbraw/zinc/61/14/97/1203611497.db2.gz XNGBEBQPVGSJBR-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM CC(F)(F)CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592939121 980003817 /nfs/dbraw/zinc/00/38/17/980003817.db2.gz MXDUPORECJNKRD-UHFFFAOYSA-N -1 1 321.751 3.368 20 10 DGCDMM CC(F)(F)CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592939121 980003827 /nfs/dbraw/zinc/00/38/27/980003827.db2.gz MXDUPORECJNKRD-UHFFFAOYSA-N -1 1 321.751 3.368 20 10 DGCDMM C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C(=O)[O-] ZINC000693494238 1082321861 /nfs/dbraw/zinc/32/18/61/1082321861.db2.gz HYOMNDODUQMEFA-LDYMZIIASA-N -1 1 318.200 3.242 20 10 DGCDMM Cc1ccc2cccc(NCC(=O)c3ccc([O-])c(O)c3)c2n1 ZINC001170316431 1082344770 /nfs/dbraw/zinc/34/47/70/1082344770.db2.gz QYCFWYREJQHXHB-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM Cc1cc(Cl)nc(C)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170322124 1082346293 /nfs/dbraw/zinc/34/62/93/1082346293.db2.gz FLOYQKAOZOWUFR-UHFFFAOYSA-N -1 1 306.749 3.058 20 10 DGCDMM COCc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001159033321 1088152436 /nfs/dbraw/zinc/15/24/36/1088152436.db2.gz FZJDUKPEYAUFGS-UHFFFAOYSA-N -1 1 305.761 3.122 20 10 DGCDMM [O-]c1c(CNc2ccc(=S)[nH]n2)cc(Cl)c2cccnc12 ZINC001168521662 1088525773 /nfs/dbraw/zinc/52/57/73/1088525773.db2.gz FXRYSLWJZWJZLL-UHFFFAOYSA-N -1 1 318.789 3.285 20 10 DGCDMM COC(=O)[C@H](C(C)C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203582199 1090761706 /nfs/dbraw/zinc/76/17/06/1090761706.db2.gz WGZWYMZTZVEDJW-LBPRGKRZSA-N -1 1 320.216 3.328 20 10 DGCDMM CN(Cc1ccc2c(c1)OCCO2)Cc1c(F)ccc(F)c1[O-] ZINC001139685805 1091641582 /nfs/dbraw/zinc/64/15/82/1091641582.db2.gz XUUDFFIDGRSYNN-UHFFFAOYSA-N -1 1 321.323 3.074 20 10 DGCDMM COc1cccc2c1CN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139683736 1091641826 /nfs/dbraw/zinc/64/18/26/1091641826.db2.gz DJQWJFATVAGANW-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM C[C@H]1C(=O)CCN(Cc2c(F)ccc(F)c2[O-])C12CCCC2 ZINC001139688798 1091643560 /nfs/dbraw/zinc/64/35/60/1091643560.db2.gz ATGOLTZQOKIYHP-NSHDSACASA-N -1 1 309.356 3.394 20 10 DGCDMM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341827 1091834438 /nfs/dbraw/zinc/83/44/38/1091834438.db2.gz JEOAONLVXWBWGQ-MKBNYLNASA-N -1 1 323.820 3.209 20 10 DGCDMM Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001140341654 1091835475 /nfs/dbraw/zinc/83/54/75/1091835475.db2.gz AGVBWJDVRTXOQK-OAHLLOKOSA-N -1 1 317.816 3.489 20 10 DGCDMM O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530955 1092495100 /nfs/dbraw/zinc/49/51/00/1092495100.db2.gz MODBASDAHSNMRL-CYBMUJFWSA-N -1 1 317.335 3.375 20 10 DGCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c([O-])c1 ZINC001149880835 1092739386 /nfs/dbraw/zinc/73/93/86/1092739386.db2.gz VYPSSPFLGHPSEQ-UHFFFAOYSA-N -1 1 303.333 3.289 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc(Cl)n1 ZINC001215569871 1094002809 /nfs/dbraw/zinc/00/28/09/1094002809.db2.gz ISPJPCQSKVLLEE-UHFFFAOYSA-N -1 1 312.156 3.416 20 10 DGCDMM O=C(NCCCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001220657409 1095132546 /nfs/dbraw/zinc/13/25/46/1095132546.db2.gz HIUSGXYQPQPWRY-UHFFFAOYSA-N -1 1 318.804 3.478 20 10 DGCDMM C[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001227581130 1096954677 /nfs/dbraw/zinc/95/46/77/1096954677.db2.gz XGRGPGCZNQSOII-JTQLQIEISA-N -1 1 308.333 3.345 20 10 DGCDMM CC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228113754 1097053420 /nfs/dbraw/zinc/05/34/20/1097053420.db2.gz DNDRWMNJLMSQEF-SNVBAGLBSA-N -1 1 302.326 3.212 20 10 DGCDMM Oc1cc2c(cc1O)C[N@@H+](Cc1ccc([S-])cc1)CCC2 ZINC001233262093 1098268202 /nfs/dbraw/zinc/26/82/02/1098268202.db2.gz QGKZMVAIZRHQKW-UHFFFAOYSA-N -1 1 301.411 3.335 20 10 DGCDMM C[C@@H]1C(=O)CCN(Cc2c([O-])ccc(F)c2F)C12CCCC2 ZINC001233336362 1098294631 /nfs/dbraw/zinc/29/46/31/1098294631.db2.gz JJELYBJEPGHTKW-LLVKDONJSA-N -1 1 309.356 3.394 20 10 DGCDMM CN(Cc1cscn1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418293 1098324965 /nfs/dbraw/zinc/32/49/65/1098324965.db2.gz ANNVVUODVLFAEQ-UHFFFAOYSA-N -1 1 302.321 3.500 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCc2c1nccc2Cl ZINC001234474371 1098564413 /nfs/dbraw/zinc/56/44/13/1098564413.db2.gz RNSGIAPXBOFCJY-AWEZNQCLSA-N -1 1 319.744 3.415 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OCc1cncc(OC(C)C)c1 ZINC001234476046 1098564667 /nfs/dbraw/zinc/56/46/67/1098564667.db2.gz KEKQUUWBSIWFND-UHFFFAOYSA-N -1 1 317.341 3.062 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC1CC(C)(C)N(O)C(C)(C)C1 ZINC001234474569 1098565174 /nfs/dbraw/zinc/56/51/74/1098565174.db2.gz UBIINEKKXIAYFG-UHFFFAOYSA-N -1 1 323.389 3.090 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234476073 1098565277 /nfs/dbraw/zinc/56/52/77/1098565277.db2.gz KJHRNSBPETWPCE-SNVBAGLBSA-N -1 1 317.297 3.349 20 10 DGCDMM C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236794253 1099787158 /nfs/dbraw/zinc/78/71/58/1099787158.db2.gz QZBLKAITBVGVGR-NXEZZACHSA-N -1 1 304.217 3.292 20 10 DGCDMM CN(Cc1cnc2ccccn12)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807471 1100253762 /nfs/dbraw/zinc/25/37/62/1100253762.db2.gz JXTIXUQNRBMDQG-UHFFFAOYSA-N -1 1 319.767 3.464 20 10 DGCDMM Cn1c(=O)ccc2ccc(NCc3cc(F)cc(F)c3[O-])cc21 ZINC001202176157 1102873863 /nfs/dbraw/zinc/87/38/63/1102873863.db2.gz LAYKFHBVTQAKHK-UHFFFAOYSA-N -1 1 316.307 3.134 20 10 DGCDMM CN(C(N)=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC001202233253 1102909985 /nfs/dbraw/zinc/90/99/85/1102909985.db2.gz KUSZGRWKQIGYJU-UHFFFAOYSA-N -1 1 323.755 3.312 20 10 DGCDMM CN(Cc1ccccc1O)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249775992 1105379412 /nfs/dbraw/zinc/37/94/12/1105379412.db2.gz HXNCZWZSFBAIJR-UHFFFAOYSA-N -1 1 307.296 3.001 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C)cc1O ZINC001259311323 1107123479 /nfs/dbraw/zinc/12/34/79/1107123479.db2.gz SHWSOACUTVZLGZ-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cn1 ZINC001262030247 1107583867 /nfs/dbraw/zinc/58/38/67/1107583867.db2.gz BSDUMEQIHAITKD-UHFFFAOYSA-N -1 1 306.387 3.020 20 10 DGCDMM CCCc1nc(C(=O)[N-]c2c3nonc3ccc2Cl)co1 ZINC001323707406 1108059254 /nfs/dbraw/zinc/05/92/54/1108059254.db2.gz NOXJFAIHKSQUKX-UHFFFAOYSA-N -1 1 306.709 3.069 20 10 DGCDMM C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001305070044 1111192965 /nfs/dbraw/zinc/19/29/65/1111192965.db2.gz XGVCTFDLQPBXBK-JTQLQIEISA-N -1 1 323.751 3.268 20 10 DGCDMM Nc1cc(Cl)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305084458 1111193018 /nfs/dbraw/zinc/19/30/18/1111193018.db2.gz JMGRWLMMHHHBMA-UHFFFAOYSA-N -1 1 311.168 3.211 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccccc3F)CC2)c1 ZINC000076766572 185039615 /nfs/dbraw/zinc/03/96/15/185039615.db2.gz SPVBPBFXQVKWOP-UHFFFAOYSA-N -1 1 302.305 3.218 20 10 DGCDMM C[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000276634593 296152401 /nfs/dbraw/zinc/15/24/01/296152401.db2.gz OBZRRQHXPMKTBH-SFYZADRCSA-N -1 1 315.204 3.239 20 10 DGCDMM COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610912 130144287 /nfs/dbraw/zinc/14/42/87/130144287.db2.gz VTVFBHRIDKKGAY-RISCZKNCSA-N -1 1 320.345 3.240 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](CO)c2ccccc21 ZINC000293857145 433897379 /nfs/dbraw/zinc/89/73/79/433897379.db2.gz ICCPDDPUXNEBKH-NSHDSACASA-N -1 1 307.752 3.281 20 10 DGCDMM CN(CCO)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294220459 434045546 /nfs/dbraw/zinc/04/55/46/434045546.db2.gz LVVHRJZRBURNHI-UHFFFAOYSA-N -1 1 324.783 3.225 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])OC1CCCC1 ZINC000295812369 434439896 /nfs/dbraw/zinc/43/98/96/434439896.db2.gz BHQQUWZXFUZZLZ-UHFFFAOYSA-N -1 1 314.179 3.324 20 10 DGCDMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC000747617008 575527612 /nfs/dbraw/zinc/52/76/12/575527612.db2.gz NNMYXSZBQWWRSU-UHFFFAOYSA-N -1 1 317.288 3.334 20 10 DGCDMM CCn1cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cn1 ZINC000750048115 575699870 /nfs/dbraw/zinc/69/98/70/575699870.db2.gz YYASHLDFASFBAR-UHFFFAOYSA-N -1 1 321.808 3.097 20 10 DGCDMM CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000744380753 575934769 /nfs/dbraw/zinc/93/47/69/575934769.db2.gz BRVASDWKQGXUTL-UHFFFAOYSA-N -1 1 304.777 3.042 20 10 DGCDMM O=C([O-])C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000692417114 600314250 /nfs/dbraw/zinc/31/42/50/600314250.db2.gz ZKLNODSILCVVSU-UHFFFAOYSA-N -1 1 305.761 3.132 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000692417114 600314254 /nfs/dbraw/zinc/31/42/54/600314254.db2.gz ZKLNODSILCVVSU-UHFFFAOYSA-N -1 1 305.761 3.132 20 10 DGCDMM Cc1noc(C)c1[C@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759618 617656338 /nfs/dbraw/zinc/65/63/38/617656338.db2.gz FHQSGTCOLWXQKW-SECBINFHSA-N -1 1 322.792 3.460 20 10 DGCDMM CC(C)(C)c1cc(C(=O)NCc2cccc(Cl)c2[O-])no1 ZINC000890760126 617656381 /nfs/dbraw/zinc/65/63/81/617656381.db2.gz IYYUPHPDJUJKPZ-UHFFFAOYSA-N -1 1 308.765 3.261 20 10 DGCDMM O=C(CCCc1cccnc1)NCc1cccc(Cl)c1[O-] ZINC000890761023 617657084 /nfs/dbraw/zinc/65/70/84/617657084.db2.gz IQAPRGQJKNTMRR-UHFFFAOYSA-N -1 1 304.777 3.080 20 10 DGCDMM CCCn1nc(C)c(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890760752 617657105 /nfs/dbraw/zinc/65/71/05/617657105.db2.gz YNBFAABOAMBITJ-UHFFFAOYSA-N -1 1 321.808 3.199 20 10 DGCDMM Cc1nc(C2CC2)oc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759981 617657316 /nfs/dbraw/zinc/65/73/16/617657316.db2.gz XUMQYHKNAGEOQY-UHFFFAOYSA-N -1 1 306.749 3.149 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1coc2c1C(=O)CCC2 ZINC000890761751 617657822 /nfs/dbraw/zinc/65/78/22/617657822.db2.gz WLNKTIZPSPAENB-UHFFFAOYSA-N -1 1 319.744 3.088 20 10 DGCDMM CCn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C2CC2)n1 ZINC000890763169 617658414 /nfs/dbraw/zinc/65/84/14/617658414.db2.gz PRJCWGNRPYBATN-UHFFFAOYSA-N -1 1 319.792 3.069 20 10 DGCDMM C[C@H](CCc1ccco1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000891587664 617844639 /nfs/dbraw/zinc/84/46/39/617844639.db2.gz XNBUQOMDLCXAGU-LLVKDONJSA-N -1 1 322.792 3.459 20 10 DGCDMM Cn1ccc([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000896490269 618917888 /nfs/dbraw/zinc/91/78/88/618917888.db2.gz RIUUBHNIQPFBDD-LLVKDONJSA-N -1 1 323.799 3.298 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1C[C@H]1C(F)(F)F ZINC000896671901 618942561 /nfs/dbraw/zinc/94/25/61/618942561.db2.gz APHCBIAWWRRHBW-DTWKUNHWSA-N -1 1 322.714 3.043 20 10 DGCDMM CCCc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1 ZINC000901662977 619530796 /nfs/dbraw/zinc/53/07/96/619530796.db2.gz HWMVRBSCWMBTCE-UHFFFAOYSA-N -1 1 321.398 3.154 20 10 DGCDMM CCC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000759419262 621856372 /nfs/dbraw/zinc/85/63/72/621856372.db2.gz QKVCCYYZBXQHNL-CQSZACIVSA-N -1 1 311.809 3.249 20 10 DGCDMM Cc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728516 622284513 /nfs/dbraw/zinc/28/45/13/622284513.db2.gz URDZGSXCADVOOZ-UHFFFAOYSA-N -1 1 320.186 3.393 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccsc1 ZINC000765750414 622284866 /nfs/dbraw/zinc/28/48/66/622284866.db2.gz GEFBUIARGKFPEY-UHFFFAOYSA-N -1 1 312.188 3.146 20 10 DGCDMM CCC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765752655 622285413 /nfs/dbraw/zinc/28/54/13/622285413.db2.gz YJXGIFHYYFCNHS-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM C[C@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765770965 622286198 /nfs/dbraw/zinc/28/61/98/622286198.db2.gz UGFRFIIDNWRBIY-VHSXEESVSA-N -1 1 312.207 3.207 20 10 DGCDMM CCN(CC)c1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767302612 622388818 /nfs/dbraw/zinc/38/88/18/622388818.db2.gz ZHMFGQYRVAKMGA-UHFFFAOYSA-N -1 1 316.376 3.308 20 10 DGCDMM CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266990 622448228 /nfs/dbraw/zinc/44/82/28/622448228.db2.gz ZHORAXFTPUGZEJ-AWEZNQCLSA-N -1 1 306.724 3.381 20 10 DGCDMM Cc1cc([C@H](C)NC(=O)c2c([O-])c(O)ccc2F)c(C)s1 ZINC000789952471 625586128 /nfs/dbraw/zinc/58/61/28/625586128.db2.gz FCOIKWVWWKNPLG-QMMMGPOBSA-N -1 1 309.362 3.406 20 10 DGCDMM Cc1cc(C)cc([C@H](C)NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC000789974391 625589370 /nfs/dbraw/zinc/58/93/70/625589370.db2.gz YOQRJXWTXJOGIV-NSHDSACASA-N -1 1 303.333 3.345 20 10 DGCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](C)c1ccccc1 ZINC000789991707 625591366 /nfs/dbraw/zinc/59/13/66/625591366.db2.gz ZLQFTAXGJRYLHH-MNOVXSKESA-N -1 1 303.333 3.159 20 10 DGCDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775362618 623260135 /nfs/dbraw/zinc/26/01/35/623260135.db2.gz IZVSOGJNZGNVTA-GFCCVEGCSA-N -1 1 315.373 3.217 20 10 DGCDMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(N(C)C)cc1 ZINC000775406900 623270584 /nfs/dbraw/zinc/27/05/84/623270584.db2.gz PZDKEECXJILIFP-NSHDSACASA-N -1 1 302.349 3.088 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)ccc1O ZINC000776748492 623459117 /nfs/dbraw/zinc/45/91/17/623459117.db2.gz LEQRZUZDBNMNDK-UHFFFAOYSA-N -1 1 315.753 3.294 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccccc1OC(F)(F)F ZINC000209431820 623551595 /nfs/dbraw/zinc/55/15/95/623551595.db2.gz FOXHEOVIHRNVRL-VMPITWQZSA-N -1 1 305.302 3.074 20 10 DGCDMM O=C1N(c2ccccc2)[C@@H](c2cc(Cl)ccc2[O-])NC12CC2 ZINC000877857618 624071416 /nfs/dbraw/zinc/07/14/16/624071416.db2.gz WFLLAPRDQYVBJT-HNNXBMFYSA-N -1 1 314.772 3.213 20 10 DGCDMM CC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000781896692 624166849 /nfs/dbraw/zinc/16/68/49/624166849.db2.gz MHZLNPLZXSLCOL-LBPRGKRZSA-N -1 1 314.223 3.074 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCC(F)(F)C2)c1 ZINC000781921124 624171675 /nfs/dbraw/zinc/17/16/75/624171675.db2.gz SQGPYCLPZPZTMK-UHFFFAOYSA-N -1 1 306.150 3.304 20 10 DGCDMM O=C(COC(=O)c1ccc(C(F)F)cc1)c1ccc([O-])c(O)c1 ZINC000783379924 624341983 /nfs/dbraw/zinc/34/19/83/624341983.db2.gz WUINGYLVADHAMM-UHFFFAOYSA-N -1 1 322.263 3.075 20 10 DGCDMM CCCCCC(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784068251 624431321 /nfs/dbraw/zinc/43/13/21/624431321.db2.gz VOVMEDOPEVLQRP-UHFFFAOYSA-N -1 1 308.374 3.430 20 10 DGCDMM CC(C)CC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCC1 ZINC000784086299 624435761 /nfs/dbraw/zinc/43/57/61/624435761.db2.gz UJVRSPILTWTKIR-UHFFFAOYSA-N -1 1 320.385 3.430 20 10 DGCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC000784117619 624440795 /nfs/dbraw/zinc/44/07/95/624440795.db2.gz LZPKQQSVLOJWQO-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cccc(Br)c1[O-] ZINC000879773921 624672347 /nfs/dbraw/zinc/67/23/47/624672347.db2.gz BIWQGUZBPKGMMO-RYUDHWBXSA-N -1 1 324.218 3.207 20 10 DGCDMM CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)[N-]C1=O ZINC000787166550 624984734 /nfs/dbraw/zinc/98/47/34/624984734.db2.gz ATXFFAWOTQUQJJ-CZDIAPPSSA-N -1 1 306.368 3.030 20 10 DGCDMM CCN(C(C)=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cn1 ZINC000883166989 625950193 /nfs/dbraw/zinc/95/01/93/625950193.db2.gz NIQDFTRSPMHPLE-UHFFFAOYSA-N -1 1 321.327 3.050 20 10 DGCDMM C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886547887 627160995 /nfs/dbraw/zinc/16/09/95/627160995.db2.gz SZDWDYZZULCIBA-ZANVPECISA-N -1 1 311.303 3.194 20 10 DGCDMM CC(C)(C)OC(=O)N1CCCN1Cc1c([O-])cccc1Cl ZINC000811502829 627282488 /nfs/dbraw/zinc/28/24/88/627282488.db2.gz ILVFLKCOXAAMLL-UHFFFAOYSA-N -1 1 312.797 3.403 20 10 DGCDMM C[C@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc2C(=O)N1 ZINC000811508788 627284239 /nfs/dbraw/zinc/28/42/39/627284239.db2.gz CHAZQBXYDHLREP-NSHDSACASA-N -1 1 316.788 3.184 20 10 DGCDMM O=C(CCCC1CC1)NCc1cccc(Br)c1[O-] ZINC000812557997 627397372 /nfs/dbraw/zinc/39/73/72/627397372.db2.gz QCPCDZCVJLDEMK-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(-n2nccn2)cc1 ZINC000816525278 627802714 /nfs/dbraw/zinc/80/27/14/627802714.db2.gz MRUBLTQVWBNJRD-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM Cn1c(=O)[nH]c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816599784 627813680 /nfs/dbraw/zinc/81/36/80/627813680.db2.gz YOJWDIZQSYJADQ-UHFFFAOYSA-N -1 1 321.739 3.389 20 10 DGCDMM CO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1(C)C ZINC000824820211 628697199 /nfs/dbraw/zinc/69/71/99/628697199.db2.gz BNQCTBSUTDALPC-CYBMUJFWSA-N -1 1 301.789 3.432 20 10 DGCDMM Cc1cc(O)c(C[NH2+]Cc2nnc(C3CC3)s2)cc1Cl ZINC000826124015 628830064 /nfs/dbraw/zinc/83/00/64/628830064.db2.gz YMDXWVLIJVFSIQ-UHFFFAOYSA-N -1 1 309.822 3.373 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C2CCC2)c1[O-] ZINC000830234195 629241952 /nfs/dbraw/zinc/24/19/52/629241952.db2.gz BSBXNIVRDCUHTR-INIZCTEOSA-N -1 1 323.820 3.249 20 10 DGCDMM O=C(NCC[C@@H]1CCc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000833398752 629598282 /nfs/dbraw/zinc/59/82/82/629598282.db2.gz KKXDJVJJAOTBPN-LBPRGKRZSA-N -1 1 315.344 3.087 20 10 DGCDMM C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694154 629641656 /nfs/dbraw/zinc/64/16/56/629641656.db2.gz BQYONMASPAVBAN-OAHLLOKOSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694154 629641658 /nfs/dbraw/zinc/64/16/58/629641658.db2.gz BQYONMASPAVBAN-OAHLLOKOSA-N -1 1 305.761 3.303 20 10 DGCDMM CCC[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837831618 630316576 /nfs/dbraw/zinc/31/65/76/630316576.db2.gz HBPPCLHANMBNBA-WCQYABFASA-N -1 1 306.358 3.040 20 10 DGCDMM O=C(COC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccc([O-])c(O)c1 ZINC000850303919 632108591 /nfs/dbraw/zinc/10/85/91/632108591.db2.gz BKHVFYZDHZDTSH-LAQFHYBYSA-N -1 1 318.369 3.040 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(CC(F)F)C2CC2)c1[O-] ZINC000177149896 655915129 /nfs/dbraw/zinc/91/51/29/655915129.db2.gz BXKMENXDPRCAAY-UHFFFAOYSA-N -1 1 303.736 3.478 20 10 DGCDMM [O-]c1c(F)cc(Br)cc1CN1CCC(F)CC1 ZINC000715803667 661214511 /nfs/dbraw/zinc/21/45/11/661214511.db2.gz ICYRWZUBACNJHQ-UHFFFAOYSA-N -1 1 306.150 3.228 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1[O-] ZINC000199914170 656265813 /nfs/dbraw/zinc/26/58/13/656265813.db2.gz JVKKRJHEAJLHHL-UHFFFAOYSA-N -1 1 311.381 3.315 20 10 DGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cccs1 ZINC000170279004 659211347 /nfs/dbraw/zinc/21/13/47/659211347.db2.gz NQEOVMSVBXQVBN-UHFFFAOYSA-N -1 1 307.755 3.047 20 10 DGCDMM CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000931037438 661447370 /nfs/dbraw/zinc/44/73/70/661447370.db2.gz BFHBABAAGBXYDQ-NSHDSACASA-N -1 1 324.730 3.432 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2Cc3c[nH]nc3[C@@H](C)C2)c1[O-] ZINC000931456965 661478518 /nfs/dbraw/zinc/47/85/18/661478518.db2.gz CYOFLFYXNYNZFL-VIFPVBQESA-N -1 1 319.792 3.091 20 10 DGCDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CC=CC1 ZINC000935662335 661800131 /nfs/dbraw/zinc/80/01/31/661800131.db2.gz DFRMVMGUDBWWHK-UHFFFAOYSA-N -1 1 310.191 3.127 20 10 DGCDMM CCCc1cc(NCc2cccc(Cl)c2[O-])n2ncnc2n1 ZINC000897392176 685310864 /nfs/dbraw/zinc/31/08/64/685310864.db2.gz QHXMRUPTMQIRCV-UHFFFAOYSA-N -1 1 317.780 3.048 20 10 DGCDMM O=C1Nc2ccc(NCc3cc(F)cc(F)c3[O-])cc2CO1 ZINC001621006217 1192780412 /nfs/dbraw/zinc/78/04/12/1192780412.db2.gz BNEULHPFCKIFKE-UHFFFAOYSA-N -1 1 306.268 3.345 20 10 DGCDMM Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)c1O ZINC001600218859 1192812657 /nfs/dbraw/zinc/81/26/57/1192812657.db2.gz CVADKXCKZLDTOF-UHFFFAOYSA-N -1 1 319.788 3.441 20 10 DGCDMM C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cc(C(=O)[O-])ccc1O ZINC001604322984 1193064440 /nfs/dbraw/zinc/06/44/40/1193064440.db2.gz STGCDZMNSBTXAE-RKDXNWHRSA-N -1 1 322.311 3.175 20 10 DGCDMM O=C(NCCCSc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC001457528479 1182470240 /nfs/dbraw/zinc/47/02/40/1182470240.db2.gz PAPHPTATHBXFFY-UHFFFAOYSA-N -1 1 321.373 3.149 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccnc1C(F)F ZINC001472317026 1183634333 /nfs/dbraw/zinc/63/43/33/1183634333.db2.gz RVANSVKPJCDMFZ-UHFFFAOYSA-N -1 1 312.703 3.308 20 10 DGCDMM CN(C(N)=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001474133121 1183873321 /nfs/dbraw/zinc/87/33/21/1183873321.db2.gz HQAHMNKDRXQEHG-UHFFFAOYSA-N -1 1 323.755 3.312 20 10 DGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1CC2CCC1CC2 ZINC001611538686 1193436658 /nfs/dbraw/zinc/43/66/58/1193436658.db2.gz ZUMWZWZDIQIFGL-WNYYMSAVSA-N -1 1 307.365 3.182 20 10 DGCDMM CC(C)Oc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001558756961 1189146460 /nfs/dbraw/zinc/14/64/60/1189146460.db2.gz JIJZKWZYMLPMMF-UHFFFAOYSA-N -1 1 320.776 3.158 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC001561006529 1189419494 /nfs/dbraw/zinc/41/94/94/1189419494.db2.gz UDWATOLFISJLNI-CZUORRHYSA-N -1 1 309.287 3.232 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCC12CC2 ZINC001565166094 1189627646 /nfs/dbraw/zinc/62/76/46/1189627646.db2.gz IASHHPMASVQABI-LBPRGKRZSA-N -1 1 308.809 3.425 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1(CC2CC2)CC1 ZINC001565280122 1189633987 /nfs/dbraw/zinc/63/39/87/1189633987.db2.gz AATHBNSNSRIBKU-UHFFFAOYSA-N -1 1 308.809 3.425 20 10 DGCDMM C[C@]1(c2ccccc2)CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001621180921 1193813417 /nfs/dbraw/zinc/81/34/17/1193813417.db2.gz HIAZBEVYWVGHDW-GOSISDBHSA-N -1 1 319.351 3.418 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc2c1OCC2 ZINC001626326117 1194072270 /nfs/dbraw/zinc/07/22/70/1194072270.db2.gz WIBZKPCNCCUOHA-UHFFFAOYSA-N -1 1 318.760 3.302 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(Cl)ccnc1F ZINC001637231828 1194658314 /nfs/dbraw/zinc/65/83/14/1194658314.db2.gz ACEWWJKSEVTOIQ-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1c(F)ccc(O)c1[O-] ZINC001638644099 1194730282 /nfs/dbraw/zinc/73/02/82/1194730282.db2.gz JLJKCDBKONYIAC-MGCOHNPYSA-N -1 1 319.307 3.052 20 10 DGCDMM O=C(NCc1cc(C2CC2)ccc1F)c1c(F)ccc(O)c1[O-] ZINC001638745079 1194735242 /nfs/dbraw/zinc/73/52/42/1194735242.db2.gz JBHCJGMTYHLALJ-UHFFFAOYSA-N -1 1 319.307 3.183 20 10 DGCDMM O=C(CCOc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001640402260 1194811089 /nfs/dbraw/zinc/81/10/89/1194811089.db2.gz NUWIVQCBCABHTI-UHFFFAOYSA-N -1 1 305.761 3.131 20 10 DGCDMM C[C@@H]1Cc2cc(C(=O)NCc3cccc(Cl)c3[O-])ccc2O1 ZINC001648609162 1195313089 /nfs/dbraw/zinc/31/30/89/1195313089.db2.gz SEQOGKHCEOHRBI-SNVBAGLBSA-N -1 1 317.772 3.299 20 10 DGCDMM O=C1COc2cccc(NCc3c([O-])ccc(Cl)c3F)c2N1 ZINC001651466695 1195466634 /nfs/dbraw/zinc/46/66/34/1195466634.db2.gz DGKJSYWMYIFWLV-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM Cc1cnc(C)nc1NCc1cccc(Br)c1[O-] ZINC001651820150 1195513367 /nfs/dbraw/zinc/51/33/67/1195513367.db2.gz VXYKLRXYHPLQGC-UHFFFAOYSA-N -1 1 308.179 3.174 20 10 DGCDMM CN(Cc1ccc(F)c(F)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC001651823244 1195513833 /nfs/dbraw/zinc/51/38/33/1195513833.db2.gz RJDZSDPEEGLRBV-UHFFFAOYSA-N -1 1 308.284 3.211 20 10 DGCDMM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1nnc2ccccn21 ZINC001656703541 1196063992 /nfs/dbraw/zinc/06/39/92/1196063992.db2.gz ZLWKEYMVUCERND-VIFPVBQESA-N -1 1 320.755 3.078 20 10 DGCDMM CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001658464776 1196260879 /nfs/dbraw/zinc/26/08/79/1196260879.db2.gz AQGJDNHDBQAHTQ-ZDUSSCGKSA-N -1 1 315.360 3.223 20 10 DGCDMM COC(=O)[C@H](NCc1ccc(Cl)cc1[O-])c1ccccc1F ZINC001658926252 1196320321 /nfs/dbraw/zinc/32/03/21/1196320321.db2.gz WPXHNEZDAVFCKV-OAHLLOKOSA-N -1 1 323.751 3.189 20 10 DGCDMM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])Cc2ccccc2O1 ZINC001659338291 1196372398 /nfs/dbraw/zinc/37/23/98/1196372398.db2.gz OLDLLJCSXXZQBR-LLVKDONJSA-N -1 1 305.324 3.454 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(c1)CCO2 ZINC001666560799 1197269540 /nfs/dbraw/zinc/26/95/40/1197269540.db2.gz DCBWDUSXQRBVFR-UHFFFAOYSA-N -1 1 318.760 3.302 20 10 DGCDMM Cc1cc(C)nc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001669971598 1197512761 /nfs/dbraw/zinc/51/27/61/1197512761.db2.gz OUEAFSKJLRRSGP-UHFFFAOYSA-N -1 1 305.765 3.379 20 10 DGCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC001681319542 1198986404 /nfs/dbraw/zinc/98/64/04/1198986404.db2.gz AFHDSLLFUDILOO-SNVBAGLBSA-N -1 1 320.776 3.312 20 10 DGCDMM CC(C)c1cc(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)on1 ZINC001591931553 976440179 /nfs/dbraw/zinc/44/01/79/976440179.db2.gz VFEXLPUYYBJCMP-SNVBAGLBSA-N -1 1 304.346 3.053 20 10 DGCDMM CN(Cc1c(O)ccc(Cl)c1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598505052 992491431 /nfs/dbraw/zinc/49/14/31/992491431.db2.gz FTXGPITVTGYOCQ-OAHLLOKOSA-N -1 1 323.751 3.442 20 10 DGCDMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC001593297384 994701859 /nfs/dbraw/zinc/70/18/59/994701859.db2.gz UQJKIPQUVNUYKD-GFCCVEGCSA-N -1 1 316.376 3.441 20 10 DGCDMM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC001593297386 994702423 /nfs/dbraw/zinc/70/24/23/994702423.db2.gz UQJKIPQUVNUYKD-LBPRGKRZSA-N -1 1 316.376 3.441 20 10 DGCDMM C[C@@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1F ZINC001594422730 999575784 /nfs/dbraw/zinc/57/57/84/999575784.db2.gz IQVCOBSOOIDZHT-YGRLFVJLSA-N -1 1 322.355 3.196 20 10 DGCDMM C[C@H]1Oc2ccc(NCc3cc(F)cc(F)c3[O-])cc2NC1=O ZINC001648862399 1081949142 /nfs/dbraw/zinc/94/91/42/1081949142.db2.gz YZRYGMNATUCNFI-MRVPVSSYSA-N -1 1 320.295 3.002 20 10 DGCDMM Cc1cccc(C=C2SC(=S)[N-]C2=O)c1OC(F)F ZINC000588393744 1082126256 /nfs/dbraw/zinc/12/62/56/1082126256.db2.gz ZDQZCBBYJZTXAI-VMPITWQZSA-N -1 1 301.339 3.085 20 10 DGCDMM Cc1ccc2c(ccnc2NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170316870 1082345420 /nfs/dbraw/zinc/34/54/20/1082345420.db2.gz SHBMEIXUHVTIBQ-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM O=C(CNc1cccnc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC001170321654 1082345503 /nfs/dbraw/zinc/34/55/03/1082345503.db2.gz BSUDEVUJWNQWMJ-UHFFFAOYSA-N -1 1 320.348 3.455 20 10 DGCDMM C[C@@H](NCc1cc(F)c(F)cc1[O-])c1nc(C(C)(C)C)no1 ZINC001181435187 1083474696 /nfs/dbraw/zinc/47/46/96/1083474696.db2.gz AHSHNTAWAMTQDE-MRVPVSSYSA-N -1 1 311.332 3.202 20 10 DGCDMM O=C(NCc1cc2ccccc2s1)c1c(F)ccc(O)c1[O-] ZINC001183570139 1083971436 /nfs/dbraw/zinc/97/14/36/1083971436.db2.gz CCLKQAJCCYNNFV-UHFFFAOYSA-N -1 1 317.341 3.382 20 10 DGCDMM Cc1cccc(CN(C)C(=O)c2c([O-])c(O)ccc2F)c1C ZINC001183572037 1083975589 /nfs/dbraw/zinc/97/55/89/1083975589.db2.gz QISMZUDBNZWWPY-UHFFFAOYSA-N -1 1 303.333 3.126 20 10 DGCDMM Cc1ncc(CN(C)Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001203582033 1084093863 /nfs/dbraw/zinc/09/38/63/1084093863.db2.gz NEOWWOYEPNNVSW-UHFFFAOYSA-N -1 1 312.200 3.429 20 10 DGCDMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1c([O-])c(O)ccc1F ZINC001161235372 1089163746 /nfs/dbraw/zinc/16/37/46/1089163746.db2.gz JHZTUNWWEBUYRC-CMPLNLGQSA-N -1 1 321.735 3.176 20 10 DGCDMM COc1ccc2c(c1)CN(Cc1cc(F)c(F)cc1[O-])CCO2 ZINC001205861662 1091383771 /nfs/dbraw/zinc/38/37/71/1091383771.db2.gz ZMYXAFCCOALABI-UHFFFAOYSA-N -1 1 321.323 3.074 20 10 DGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@](C)(F)[C@H](F)C1 ZINC001139126575 1091457130 /nfs/dbraw/zinc/45/71/30/1091457130.db2.gz LGUQNNQHFJTSOQ-PBHICJAKSA-N -1 1 323.339 3.079 20 10 DGCDMM COc1cc(CN(C)Cc2c(F)ccc(F)c2[O-])cc(OC)c1 ZINC001139685412 1091641909 /nfs/dbraw/zinc/64/19/09/1091641909.db2.gz YCGGIVHUTGGAQR-UHFFFAOYSA-N -1 1 323.339 3.320 20 10 DGCDMM COc1cc(NCc2cc(Cl)c(F)cc2[O-])cnc1OC ZINC001206694629 1091703741 /nfs/dbraw/zinc/70/37/41/1091703741.db2.gz HMIDKCFPCORBFP-UHFFFAOYSA-N -1 1 312.728 3.209 20 10 DGCDMM [O-]c1cc(Cl)ccc1CN1C[C@H](CO)CC[C@@H]1C(F)(F)F ZINC001140461655 1091874907 /nfs/dbraw/zinc/87/49/07/1091874907.db2.gz PHEAKGNSVGSOHX-NOZJJQNGSA-N -1 1 323.742 3.181 20 10 DGCDMM [O-]c1c(F)cc(CN2CCCc3cc(O)c(O)cc3C2)cc1F ZINC001140990647 1092095809 /nfs/dbraw/zinc/09/58/09/1092095809.db2.gz LNCBYLNZQDMAIP-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM CN(Cc1cnc(Cl)s1)Cc1cc(F)c(F)cc1[O-] ZINC001142508478 1092491549 /nfs/dbraw/zinc/49/15/49/1092491549.db2.gz ADKUMCIEHXQLQR-UHFFFAOYSA-N -1 1 304.749 3.412 20 10 DGCDMM COc1ccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cc1 ZINC001216952341 1094283535 /nfs/dbraw/zinc/28/35/35/1094283535.db2.gz WHHMZTAUJCGDCW-UHFFFAOYSA-N -1 1 318.716 3.477 20 10 DGCDMM [O-]c1c(O)ccc(-c2nc(-c3cc(F)ccn3)no2)c1Cl ZINC001216953676 1094283555 /nfs/dbraw/zinc/28/35/55/1094283555.db2.gz GYMRJZJUHBTNCA-UHFFFAOYSA-N -1 1 307.668 3.002 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cc2ccccn2n1 ZINC001217671804 1094469658 /nfs/dbraw/zinc/46/96/58/1094469658.db2.gz XPWAPURQIXYKLJ-UHFFFAOYSA-N -1 1 316.748 3.015 20 10 DGCDMM CC[C@@H](C)n1nccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001124070997 1095531740 /nfs/dbraw/zinc/53/17/40/1095531740.db2.gz VBHQVLBKIOTMLL-SNVBAGLBSA-N -1 1 307.781 3.143 20 10 DGCDMM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001231451839 1097751705 /nfs/dbraw/zinc/75/17/05/1097751705.db2.gz WPESBVQNUGIIPW-INIZCTEOSA-N -1 1 311.381 3.470 20 10 DGCDMM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001231451839 1097751708 /nfs/dbraw/zinc/75/17/08/1097751708.db2.gz WPESBVQNUGIIPW-INIZCTEOSA-N -1 1 311.381 3.470 20 10 DGCDMM CN(Cc1cccc2c1OCO2)Cc1c([O-])ccc(F)c1F ZINC001233336254 1098294008 /nfs/dbraw/zinc/29/40/08/1098294008.db2.gz FNFKMEQZJHIOFE-UHFFFAOYSA-N -1 1 307.296 3.031 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC(=O)c2ccccc21 ZINC001234473885 1098565017 /nfs/dbraw/zinc/56/50/17/1098565017.db2.gz LNSJSYPIUNZEBR-KRWDZBQOSA-N -1 1 312.321 3.397 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)COCc1ccccc1 ZINC001234474964 1098565150 /nfs/dbraw/zinc/56/51/50/1098565150.db2.gz AYCZCSHIKNTULF-LBPRGKRZSA-N -1 1 316.353 3.285 20 10 DGCDMM COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236792102 1099787724 /nfs/dbraw/zinc/78/77/24/1099787724.db2.gz BSKDNQRIKFGARL-LBPRGKRZSA-N -1 1 318.200 3.227 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237085266 1099965396 /nfs/dbraw/zinc/96/53/96/1099965396.db2.gz WZCGOWYURFZBLB-AWEZNQCLSA-N -1 1 302.201 3.454 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@@H](c2ccccn2)C1 ZINC001237125827 1099985269 /nfs/dbraw/zinc/98/52/69/1099985269.db2.gz FSJBDSAVIUHVMW-OAHLLOKOSA-N -1 1 322.767 3.153 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@@H](c2ccncc2)C1 ZINC001237131065 1099986852 /nfs/dbraw/zinc/98/68/52/1099986852.db2.gz SQUZZXZLEJGMGL-OAHLLOKOSA-N -1 1 322.767 3.153 20 10 DGCDMM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)CCCF ZINC001189905875 1100146180 /nfs/dbraw/zinc/14/61/80/1100146180.db2.gz DVLNUNDAFWJJBQ-UHFFFAOYSA-N -1 1 321.373 3.019 20 10 DGCDMM O=C(CSc1nc2ncccc2s1)c1ccc([O-])c(O)c1 ZINC001189913376 1100150184 /nfs/dbraw/zinc/15/01/84/1100150184.db2.gz ZTPMVAMTQUNAIY-UHFFFAOYSA-N -1 1 318.379 3.078 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCc2cc(CO)ccc2C1 ZINC001237617943 1100190510 /nfs/dbraw/zinc/19/05/10/1100190510.db2.gz VPCJLUDXOWAQTH-UHFFFAOYSA-N -1 1 321.779 3.235 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@H]1c1cnccn1 ZINC001237938223 1100298204 /nfs/dbraw/zinc/29/82/04/1100298204.db2.gz ZHPQFIKKALAHQK-AWEZNQCLSA-N -1 1 307.756 3.312 20 10 DGCDMM Cc1cccc2[nH]c(NC(=O)c3ccc(O)c([O-])c3Cl)nc21 ZINC001193209410 1100717651 /nfs/dbraw/zinc/71/76/51/1100717651.db2.gz JXTXWYUBBNPXFI-UHFFFAOYSA-N -1 1 317.732 3.188 20 10 DGCDMM O=C(Nc1ccc(C(F)F)cn1)c1ccc(O)c([O-])c1Cl ZINC001193219582 1100718518 /nfs/dbraw/zinc/71/85/18/1100718518.db2.gz KXDPBPDMHYFRPQ-UHFFFAOYSA-N -1 1 314.675 3.336 20 10 DGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@H]1c1nccs1 ZINC001193232346 1100719700 /nfs/dbraw/zinc/71/97/00/1100719700.db2.gz INQMILLINOTBID-VIFPVBQESA-N -1 1 324.789 3.185 20 10 DGCDMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(O)c([O-])c1Cl ZINC001193246728 1100720130 /nfs/dbraw/zinc/72/01/30/1100720130.db2.gz ARANTTLNCFBKIO-QMMMGPOBSA-N -1 1 319.735 3.307 20 10 DGCDMM Cc1cc(C)c(CNC(=O)c2ccc(O)c([O-])c2Cl)c(O)c1 ZINC001193247289 1100720556 /nfs/dbraw/zinc/72/05/56/1100720556.db2.gz SPAFDIIVWBNMDI-UHFFFAOYSA-N -1 1 321.760 3.004 20 10 DGCDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)c1 ZINC001195153774 1101087961 /nfs/dbraw/zinc/08/79/61/1101087961.db2.gz QMWRAGSMZWKQQH-UHFFFAOYSA-N -1 1 309.362 3.456 20 10 DGCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Cl)cc1 ZINC001251738915 1101764270 /nfs/dbraw/zinc/76/42/70/1101764270.db2.gz YZKRDNFKZPFAFY-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM O=[N+]([O-])c1cc(-c2nc3ccc(C(F)F)cc3[nH]2)cc(O)c1[O-] ZINC001251027386 1105621709 /nfs/dbraw/zinc/62/17/09/1105621709.db2.gz MBRRDDIOXPDWQK-UHFFFAOYSA-N -1 1 321.239 3.487 20 10 DGCDMM CCCS(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001253705319 1105972126 /nfs/dbraw/zinc/97/21/26/1105972126.db2.gz RKEBVQLPCRYLSW-UHFFFAOYSA-N -1 1 301.367 3.050 20 10 DGCDMM CCc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001255081216 1106174956 /nfs/dbraw/zinc/17/49/56/1106174956.db2.gz PIAHGUSKFLVTNL-UHFFFAOYSA-N -1 1 313.325 3.034 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)c(C)c1 ZINC001259100728 1107078567 /nfs/dbraw/zinc/07/85/67/1107078567.db2.gz KNMZFYMJGUPIOG-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1C ZINC001259167727 1107091369 /nfs/dbraw/zinc/09/13/69/1107091369.db2.gz GIVIHUJRUHLHSE-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCC2(C1)Oc1ccccc1O2 ZINC001308801138 1111477232 /nfs/dbraw/zinc/47/72/32/1111477232.db2.gz HBDAJSVINLWUMY-UHFFFAOYSA-N -1 1 319.307 3.044 20 10 DGCDMM Cc1nc(C)c(NC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001310383038 1111557861 /nfs/dbraw/zinc/55/78/61/1111557861.db2.gz OIBGDIASUZYYGW-UHFFFAOYSA-N -1 1 311.794 3.441 20 10 DGCDMM C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285724451 131196487 /nfs/dbraw/zinc/19/64/87/131196487.db2.gz QIDGRCZPAVYUMX-IUCAKERBSA-N -1 1 323.299 3.385 20 10 DGCDMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000294762132 131858421 /nfs/dbraw/zinc/85/84/21/131858421.db2.gz BHIZUIDIHLIGQF-WCQYABFASA-N -1 1 315.344 3.255 20 10 DGCDMM CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1O ZINC000276108549 432774100 /nfs/dbraw/zinc/77/41/00/432774100.db2.gz ZUELAGZGJPWHMH-LBPRGKRZSA-N -1 1 304.217 3.292 20 10 DGCDMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000276636166 432823184 /nfs/dbraw/zinc/82/31/84/432823184.db2.gz WZQMPKNMNKRXNC-DGCLKSJQSA-N -1 1 315.344 3.255 20 10 DGCDMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000276636159 432823836 /nfs/dbraw/zinc/82/38/36/432823836.db2.gz WZQMPKNMNKRXNC-AAEUAGOBSA-N -1 1 315.344 3.255 20 10 DGCDMM C[C@@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncn(C)n1 ZINC000278793772 432901341 /nfs/dbraw/zinc/90/13/41/432901341.db2.gz QNPZHNXNXJXAGZ-JGVFFNPUSA-N -1 1 315.204 3.239 20 10 DGCDMM C[C@@H](N[C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncn(C)n1 ZINC000278793770 432901653 /nfs/dbraw/zinc/90/16/53/432901653.db2.gz QNPZHNXNXJXAGZ-HTQZYQBOSA-N -1 1 315.204 3.239 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1[O-] ZINC000376495652 433754393 /nfs/dbraw/zinc/75/43/93/433754393.db2.gz PSFIDRXKPTUCCK-CQSZACIVSA-N -1 1 319.792 3.308 20 10 DGCDMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000294762130 434137508 /nfs/dbraw/zinc/13/75/08/434137508.db2.gz BHIZUIDIHLIGQF-DGCLKSJQSA-N -1 1 315.344 3.255 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1C[C@H](CO)Cc2ccccc21 ZINC000367788525 434556920 /nfs/dbraw/zinc/55/69/20/434556920.db2.gz BIDBPVNXHFEYAW-GFCCVEGCSA-N -1 1 303.789 3.217 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cnc2c(c1)COCC2 ZINC000365053864 526347381 /nfs/dbraw/zinc/34/73/81/526347381.db2.gz PWXKHFRMQHQXFQ-UHFFFAOYSA-N -1 1 308.740 3.265 20 10 DGCDMM [O-]c1c(CNCc2c(F)cc(F)cc2F)ccc(F)c1F ZINC001658875457 1196313645 /nfs/dbraw/zinc/31/36/45/1196313645.db2.gz LUFHUOFXPRENQH-UHFFFAOYSA-N -1 1 303.230 3.378 20 10 DGCDMM Cc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000738594494 575236237 /nfs/dbraw/zinc/23/62/37/575236237.db2.gz OLCPHCXZVLVSQQ-UHFFFAOYSA-N -1 1 319.788 3.441 20 10 DGCDMM Cc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000738594494 575236239 /nfs/dbraw/zinc/23/62/39/575236239.db2.gz OLCPHCXZVLVSQQ-UHFFFAOYSA-N -1 1 319.788 3.441 20 10 DGCDMM CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccon3)CC2)c1O ZINC000852672532 620639456 /nfs/dbraw/zinc/63/94/56/620639456.db2.gz FPGYZAUPNPJHKO-UHFFFAOYSA-N -1 1 318.348 3.102 20 10 DGCDMM CC[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161954 617632141 /nfs/dbraw/zinc/63/21/41/617632141.db2.gz PSUSJKMNNIKJIK-TVQRCGJNSA-N -1 1 321.812 3.169 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1C(C)(C)C ZINC000890757887 617656012 /nfs/dbraw/zinc/65/60/12/617656012.db2.gz LXCHDPBYGFFIGG-UHFFFAOYSA-N -1 1 321.808 3.236 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2c(s1)CCOC2 ZINC000890760167 617656335 /nfs/dbraw/zinc/65/63/35/617656335.db2.gz KNZKAVNBKUVGGY-UHFFFAOYSA-N -1 1 323.801 3.110 20 10 DGCDMM C[C@@H]1C(=O)CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC000890760051 617656480 /nfs/dbraw/zinc/65/64/80/617656480.db2.gz ZJXDDPGJXDHBSQ-ZYHUDNBSSA-N -1 1 323.820 3.303 20 10 DGCDMM Cc1nc(CC(C)C)oc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759371 617656621 /nfs/dbraw/zinc/65/66/21/617656621.db2.gz KJTFMWPWAUJPHJ-UHFFFAOYSA-N -1 1 322.792 3.471 20 10 DGCDMM CCOCCC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890760725 617657067 /nfs/dbraw/zinc/65/70/67/617657067.db2.gz XXYAFCKVOKNPDF-UHFFFAOYSA-N -1 1 311.809 3.259 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1scnc1C1CC1 ZINC000890760403 617657160 /nfs/dbraw/zinc/65/71/60/617657160.db2.gz QWRZWCQZKQGQAI-UHFFFAOYSA-N -1 1 308.790 3.310 20 10 DGCDMM Cc1nc(CCC(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC000890760797 617657303 /nfs/dbraw/zinc/65/73/03/617657303.db2.gz ZAFINHIOJVQUNQ-UHFFFAOYSA-N -1 1 310.806 3.060 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@]12CCO[C@@H]1CCCC2 ZINC000890763496 617659213 /nfs/dbraw/zinc/65/92/13/617659213.db2.gz XABPBDKSVXTGGK-CZUORRHYSA-N -1 1 309.793 3.011 20 10 DGCDMM CC(C)(C)SCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892704216 618143152 /nfs/dbraw/zinc/14/31/52/618143152.db2.gz HUVLIWFDXSNXOD-UHFFFAOYSA-N -1 1 316.854 3.377 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCC(F)(F)C1 ZINC000894561565 618382861 /nfs/dbraw/zinc/38/28/61/618382861.db2.gz PBYJBPOLKQPMAC-VIFPVBQESA-N -1 1 318.751 3.280 20 10 DGCDMM CC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000893174612 618460419 /nfs/dbraw/zinc/46/04/19/618460419.db2.gz DPURTLPKLYEHKZ-CQSZACIVSA-N -1 1 319.792 3.391 20 10 DGCDMM C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CCS1 ZINC000896706560 618946575 /nfs/dbraw/zinc/94/65/75/618946575.db2.gz VDSBEXCLHRFPBY-ONGXEEELSA-N -1 1 314.838 3.129 20 10 DGCDMM COCc1c(C)cc(C)c(C=C2SC(=S)[N-]C2=O)c1C ZINC000901415841 619498183 /nfs/dbraw/zinc/49/81/83/619498183.db2.gz ALKBKZFJGAQYMY-MLPAPPSSSA-N -1 1 307.440 3.247 20 10 DGCDMM O=S(=O)(Nc1cc(F)c([O-])cc1Cl)C1=CCCCC1 ZINC000901962184 619568389 /nfs/dbraw/zinc/56/83/89/619568389.db2.gz BQCZVNMMHJJHTI-UHFFFAOYSA-N -1 1 305.758 3.384 20 10 DGCDMM C[C@@H]1CCC[C@H](C2CN(C(=O)c3c(F)ccc(O)c3[O-])C2)C1 ZINC000881442871 625377073 /nfs/dbraw/zinc/37/70/73/625377073.db2.gz QZWCBEBOUPVSLT-MNOVXSKESA-N -1 1 307.365 3.135 20 10 DGCDMM Nc1ccc2c(c1)CN(Cc1cccc(Cl)c1[O-])CCO2 ZINC000903943725 619842162 /nfs/dbraw/zinc/84/21/62/619842162.db2.gz AUFOTAXDRWGRTK-UHFFFAOYSA-N -1 1 304.777 3.022 20 10 DGCDMM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3c(F)ccc(O)c3[O-])C2)C1 ZINC000881442870 625376901 /nfs/dbraw/zinc/37/69/01/625376901.db2.gz QZWCBEBOUPVSLT-GHMZBOCLSA-N -1 1 307.365 3.135 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](C2CCCCC2)C1 ZINC000857316352 621079879 /nfs/dbraw/zinc/07/98/79/621079879.db2.gz VKDWNKUNXGGKKE-LBPRGKRZSA-N -1 1 307.365 3.279 20 10 DGCDMM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000839192466 621347670 /nfs/dbraw/zinc/34/76/70/621347670.db2.gz UAYXJCUZBGORJA-MRVPVSSYSA-N -1 1 300.189 3.283 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(-n2nccn2)c1 ZINC000864044353 621730865 /nfs/dbraw/zinc/73/08/65/621730865.db2.gz XVPVIRQCMCEQGL-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM C[C@H]1C[C@H]1c1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000865295620 621892214 /nfs/dbraw/zinc/89/22/14/621892214.db2.gz IZVKXIFFVOQPST-IONNQARKSA-N -1 1 324.178 3.273 20 10 DGCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000765733236 622284982 /nfs/dbraw/zinc/28/49/82/622284982.db2.gz VSLJQNXAVWEQNR-VIFPVBQESA-N -1 1 312.207 3.207 20 10 DGCDMM CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266991 622448038 /nfs/dbraw/zinc/44/80/38/622448038.db2.gz ZHORAXFTPUGZEJ-CQSZACIVSA-N -1 1 306.724 3.381 20 10 DGCDMM CC(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000789957542 625587480 /nfs/dbraw/zinc/58/74/80/625587480.db2.gz UAYQCKOLTYUTQR-ZDUSSCGKSA-N -1 1 317.360 3.407 20 10 DGCDMM O=C(NCc1ccc2ccccc2c1)c1c([O-])c(O)ccc1F ZINC000789954329 625587896 /nfs/dbraw/zinc/58/78/96/625587896.db2.gz HTNKOGOBZKGEHG-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](C)c1ccccc1 ZINC000789991706 625591875 /nfs/dbraw/zinc/59/18/75/625591875.db2.gz ZLQFTAXGJRYLHH-GHMZBOCLSA-N -1 1 303.333 3.159 20 10 DGCDMM [O-]c1c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541523 623933843 /nfs/dbraw/zinc/93/38/43/623933843.db2.gz PKAGPYXRTBZAFF-CZUORRHYSA-N -1 1 309.356 3.204 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1[O-] ZINC000782630226 624269011 /nfs/dbraw/zinc/26/90/11/624269011.db2.gz ZAKQSBGVDKLPPN-JBLDHEPKSA-N -1 1 311.809 3.246 20 10 DGCDMM C[C@@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783199650 624322931 /nfs/dbraw/zinc/32/29/31/624322931.db2.gz PRJRDRGFMIYWSO-NEPJUHHUSA-N -1 1 306.358 3.040 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(OCCCO)cc1 ZINC000883119188 625933232 /nfs/dbraw/zinc/93/32/32/625933232.db2.gz QWFCRVMRLURXHV-UHFFFAOYSA-N -1 1 309.312 3.044 20 10 DGCDMM CC[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000796318287 626037890 /nfs/dbraw/zinc/03/78/90/626037890.db2.gz AHHXCGOWOHJBJS-YPMHNXCESA-N -1 1 306.358 3.040 20 10 DGCDMM COCCN(Cc1cccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809741656 626945121 /nfs/dbraw/zinc/94/51/21/626945121.db2.gz RLHDKYNLTFYMEE-UHFFFAOYSA-N -1 1 324.783 3.228 20 10 DGCDMM O=C1OCc2c1cccc2NCc1c([O-])ccc(Cl)c1F ZINC000809791056 626954317 /nfs/dbraw/zinc/95/43/17/626954317.db2.gz HDQQZPKDQJXMCJ-UHFFFAOYSA-N -1 1 307.708 3.467 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(Cl)c1 ZINC000136488556 627092566 /nfs/dbraw/zinc/09/25/66/627092566.db2.gz ZXMWKGXCHMBSFK-UHFFFAOYSA-N -1 1 311.790 3.463 20 10 DGCDMM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1(F)F ZINC000811513119 627285623 /nfs/dbraw/zinc/28/56/23/627285623.db2.gz WKLAIXWKIRGWCO-MRVPVSSYSA-N -1 1 320.723 3.431 20 10 DGCDMM NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1F ZINC000812346416 627372917 /nfs/dbraw/zinc/37/29/17/627372917.db2.gz QWDYTTZMBDURGE-UHFFFAOYSA-N -1 1 312.703 3.035 20 10 DGCDMM O=C(COC(=O)/C(F)=C\C1CCCCC1)c1ccc([O-])c(O)c1 ZINC000814540582 627575471 /nfs/dbraw/zinc/57/54/71/627575471.db2.gz ZBJGKLABUMWRPM-MDWZMJQESA-N -1 1 322.332 3.257 20 10 DGCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820401775 628253090 /nfs/dbraw/zinc/25/30/90/628253090.db2.gz DUPOUFFGPDPQFJ-UHFFFAOYSA-N -1 1 324.384 3.392 20 10 DGCDMM C/C(=C/CN(Cc1ccco1)Cc1ccccc1O)C(=O)[O-] ZINC000825730389 628791572 /nfs/dbraw/zinc/79/15/72/628791572.db2.gz WAZNZLLMKSOEDA-JYRVWZFOSA-N -1 1 301.342 3.018 20 10 DGCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1-c1nn[nH]n1 ZINC000826242520 628835626 /nfs/dbraw/zinc/83/56/26/628835626.db2.gz SHDDKXIAMHJXBG-UHFFFAOYSA-N -1 1 315.764 3.146 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1(C(=O)[O-])CCCCC1 ZINC000833694406 629641576 /nfs/dbraw/zinc/64/15/76/629641576.db2.gz JUBPLPJHVAVHHG-UHFFFAOYSA-N -1 1 315.772 3.404 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000840997716 630393371 /nfs/dbraw/zinc/39/33/71/630393371.db2.gz GPORQYNXXOOKGM-GDLCADMTSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C(COC(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc([O-])c(O)c1 ZINC000850303920 632108764 /nfs/dbraw/zinc/10/87/64/632108764.db2.gz BKHVFYZDHZDTSH-STQMWFEESA-N -1 1 318.369 3.040 20 10 DGCDMM Cc1cc(Br)ccc1C=C1SC(=S)[N-]C1=O ZINC000164607406 658938830 /nfs/dbraw/zinc/93/88/30/658938830.db2.gz YPEZFHICICIEMV-WEVVVXLNSA-N -1 1 314.229 3.246 20 10 DGCDMM Cn1c(=O)oc2c1cccc2NCc1cc(Cl)cc(F)c1[O-] ZINC001620861464 1192472465 /nfs/dbraw/zinc/47/24/65/1192472465.db2.gz AJNVZXLNLJJOCI-UHFFFAOYSA-N -1 1 322.723 3.242 20 10 DGCDMM Cc1csc([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654039 1192889037 /nfs/dbraw/zinc/88/90/37/1192889037.db2.gz DAGFMZSXJYAIJA-NXEZZACHSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CC=CCC1 ZINC001602056951 1192957306 /nfs/dbraw/zinc/95/73/06/1192957306.db2.gz FAQZICMYAKFJFF-LBPRGKRZSA-N -1 1 309.793 3.289 20 10 DGCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CC=CCC1 ZINC001602056951 1192957308 /nfs/dbraw/zinc/95/73/08/1192957308.db2.gz FAQZICMYAKFJFF-LBPRGKRZSA-N -1 1 309.793 3.289 20 10 DGCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC1 ZINC001603198973 1193010562 /nfs/dbraw/zinc/01/05/62/1193010562.db2.gz RIFKECUCFSSRRJ-QMMMGPOBSA-N -1 1 301.745 3.012 20 10 DGCDMM Cc1cccc(C)c1NCC(=O)NCc1cccc(Cl)c1[O-] ZINC001457035879 1182440827 /nfs/dbraw/zinc/44/08/27/1182440827.db2.gz LIVBOCBRITUWBS-UHFFFAOYSA-N -1 1 318.804 3.391 20 10 DGCDMM COc1cccc2[nH]c(NCc3cc(F)cc(F)c3[O-])nc21 ZINC001461730013 1182847948 /nfs/dbraw/zinc/84/79/48/1182847948.db2.gz UQQYWQSAXNFWKH-UHFFFAOYSA-N -1 1 305.284 3.167 20 10 DGCDMM O=C(/C=C/c1ccc(Cl)nc1)NCc1cccc(Cl)c1[O-] ZINC001606868390 1193206202 /nfs/dbraw/zinc/20/62/02/1193206202.db2.gz NYSRASZWKQUOLR-FNORWQNLSA-N -1 1 323.179 3.424 20 10 DGCDMM COC(=O)Cc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC001474434304 1183920695 /nfs/dbraw/zinc/92/06/95/1183920695.db2.gz VFPYHNODHZBPJC-UHFFFAOYSA-N -1 1 305.761 3.373 20 10 DGCDMM COC(=O)[C@](C)(NCc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001474657010 1183957428 /nfs/dbraw/zinc/95/74/28/1183957428.db2.gz PPAQMMMSSYQUCU-QGZVFWFLSA-N -1 1 319.788 3.224 20 10 DGCDMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(N(C)C)cc1 ZINC001616842629 1193548920 /nfs/dbraw/zinc/54/89/20/1193548920.db2.gz DSIZRVPMKIBYCT-NSHDSACASA-N -1 1 302.349 3.088 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2Cc3ccc(O)cc3C2)c1[O-] ZINC001620435164 1193768186 /nfs/dbraw/zinc/76/81/86/1193768186.db2.gz PXTZFEASRIVGPC-UHFFFAOYSA-N -1 1 317.772 3.470 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cc(Cl)ccn1 ZINC001624678474 1194009370 /nfs/dbraw/zinc/00/93/70/1194009370.db2.gz FXCDFDZZSNFOON-UHFFFAOYSA-N -1 1 312.156 3.416 20 10 DGCDMM O=C(C[C@H]1OCc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001637232320 1194657772 /nfs/dbraw/zinc/65/77/72/1194657772.db2.gz PRKFBWGWVRICJV-OAHLLOKOSA-N -1 1 317.772 3.323 20 10 DGCDMM O=C(/C=C\c1cccc(O)c1)NCc1cccc(Cl)c1[O-] ZINC001637227189 1194658164 /nfs/dbraw/zinc/65/81/64/1194658164.db2.gz QOXYCXNYFKQSNS-FPLPWBNLSA-N -1 1 303.745 3.081 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(F)cccc1[N+](=O)[O-] ZINC001640405117 1194811673 /nfs/dbraw/zinc/81/16/73/1194811673.db2.gz MITXFDIPNAPEHI-UHFFFAOYSA-N -1 1 324.695 3.023 20 10 DGCDMM O=C(NCc1c(O)ccc2ccccc21)c1c([O-])cccc1F ZINC001645441063 1195184059 /nfs/dbraw/zinc/18/40/59/1195184059.db2.gz TWAWTAMWWBUESL-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM CSc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001654523216 1195813351 /nfs/dbraw/zinc/81/33/51/1195813351.db2.gz NRUMNQSWHDEZKV-VIFPVBQESA-N -1 1 321.373 3.450 20 10 DGCDMM Cc1cc(F)ccc1[C@H](C)NC(=O)c1c([O-])c(O)ccc1F ZINC001654802979 1195842614 /nfs/dbraw/zinc/84/26/14/1195842614.db2.gz CYEGRCFOGYLPSZ-VIFPVBQESA-N -1 1 307.296 3.175 20 10 DGCDMM COC(=O)[C@@H](NCc1ccc(Cl)cc1[O-])c1ccccc1F ZINC001658926250 1196320167 /nfs/dbraw/zinc/32/01/67/1196320167.db2.gz WPXHNEZDAVFCKV-HNNXBMFYSA-N -1 1 323.751 3.189 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CN1CCOc2cc(F)c(F)cc21 ZINC001660165483 1196453497 /nfs/dbraw/zinc/45/34/97/1196453497.db2.gz ALNQSUFKWJFMOR-UHFFFAOYSA-N -1 1 313.250 3.348 20 10 DGCDMM CCc1cnc(NC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001667377454 1197342137 /nfs/dbraw/zinc/34/21/37/1197342137.db2.gz VDWDWALMFFFGEI-UHFFFAOYSA-N -1 1 311.794 3.386 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001684056464 1199334905 /nfs/dbraw/zinc/33/49/05/1199334905.db2.gz XLXGEKQRLFSUEG-GMXVVIOVSA-N -1 1 308.809 3.281 20 10 DGCDMM CCOc1cccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1O ZINC000321985435 970833540 /nfs/dbraw/zinc/83/35/40/970833540.db2.gz DCCICAMHJCDZBC-AWEZNQCLSA-N -1 1 321.417 3.114 20 10 DGCDMM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001594327277 958184830 /nfs/dbraw/zinc/18/48/30/958184830.db2.gz VQXRLPHBMAXIIE-LBPRGKRZSA-N -1 1 311.809 3.431 20 10 DGCDMM Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001594327277 958184839 /nfs/dbraw/zinc/18/48/39/958184839.db2.gz VQXRLPHBMAXIIE-LBPRGKRZSA-N -1 1 311.809 3.431 20 10 DGCDMM C[C@@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1F ZINC001594422729 999575403 /nfs/dbraw/zinc/57/54/03/999575403.db2.gz IQVCOBSOOIDZHT-QMTHXVAHSA-N -1 1 322.355 3.196 20 10 DGCDMM CC1(C)COc2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC001170320673 1082345484 /nfs/dbraw/zinc/34/54/84/1082345484.db2.gz ILEKPBLSEYACBO-UHFFFAOYSA-N -1 1 313.353 3.063 20 10 DGCDMM CNC(=O)N(C)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC001183551139 1083967742 /nfs/dbraw/zinc/96/77/42/1083967742.db2.gz OXTJTKCBRLAJHN-UHFFFAOYSA-N -1 1 319.792 3.433 20 10 DGCDMM O=C(CCCC1CCCCC1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184224699 1084128382 /nfs/dbraw/zinc/12/83/82/1084128382.db2.gz IXJQCSMRSAZQNF-UHFFFAOYSA-N -1 1 319.401 3.147 20 10 DGCDMM C[C@H](Oc1ccccc1F)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159033686 1088153717 /nfs/dbraw/zinc/15/37/17/1088153717.db2.gz LWBOWZJTYYBAAZ-JTQLQIEISA-N -1 1 323.751 3.268 20 10 DGCDMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1c([O-])c(O)ccc1F ZINC001161727418 1089374184 /nfs/dbraw/zinc/37/41/84/1089374184.db2.gz NQSFUWJXYMFPPC-TZMCWYRMSA-N -1 1 315.344 3.303 20 10 DGCDMM CCc1ccc([C@@H]2COCCN2Cc2cc(F)c(F)cc2[O-])o1 ZINC001204346955 1090953045 /nfs/dbraw/zinc/95/30/45/1090953045.db2.gz FMDPPJIOQIELFH-HNNXBMFYSA-N -1 1 323.339 3.399 20 10 DGCDMM Cc1cc(NCc2cc(Cl)c(F)cc2[O-])cc(C(N)=O)c1 ZINC001205898326 1091397174 /nfs/dbraw/zinc/39/71/74/1091397174.db2.gz RDTMOGPNFFQMKH-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467651 1091878252 /nfs/dbraw/zinc/87/82/52/1091878252.db2.gz UCPNIZGWHMCREB-UHFFFAOYSA-N -1 1 317.820 3.201 20 10 DGCDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000315230130 1095094471 /nfs/dbraw/zinc/09/44/71/1095094471.db2.gz GUKJIMQTCHOHNR-UHFFFAOYSA-N -1 1 319.382 3.094 20 10 DGCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC001220724172 1095144655 /nfs/dbraw/zinc/14/46/55/1095144655.db2.gz VOTSZXZUXYHVHJ-SNVBAGLBSA-N -1 1 305.765 3.001 20 10 DGCDMM CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122518 1095895418 /nfs/dbraw/zinc/89/54/18/1095895418.db2.gz KFPDSJIUIQKUCA-GFCCVEGCSA-N -1 1 311.353 3.057 20 10 DGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001227580194 1096954274 /nfs/dbraw/zinc/95/42/74/1096954274.db2.gz JERBCBPLBKUWCO-ZSBIGDGJSA-N -1 1 320.344 3.345 20 10 DGCDMM C[C@@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001227581131 1096955093 /nfs/dbraw/zinc/95/50/93/1096955093.db2.gz XGRGPGCZNQSOII-SNVBAGLBSA-N -1 1 308.333 3.345 20 10 DGCDMM CC(C)[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228110840 1097052807 /nfs/dbraw/zinc/05/28/07/1097052807.db2.gz MNJFLGKGNVAMLQ-LLVKDONJSA-N -1 1 316.353 3.458 20 10 DGCDMM Cc1cccnc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231909740 1097889052 /nfs/dbraw/zinc/88/90/52/1097889052.db2.gz OLLYGPLCQHPUMP-UHFFFAOYSA-N -1 1 317.820 3.071 20 10 DGCDMM COc1cc2c(cc1OC)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233336214 1098294561 /nfs/dbraw/zinc/29/45/61/1098294561.db2.gz CRCSGTXTZZLHLI-UHFFFAOYSA-N -1 1 321.323 3.203 20 10 DGCDMM C[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCCC1=O ZINC001233415737 1098321974 /nfs/dbraw/zinc/32/19/74/1098321974.db2.gz HFBZOJPISOVMSK-JTQLQIEISA-N -1 1 301.308 3.212 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cn(C)nc1C ZINC001233495790 1098350622 /nfs/dbraw/zinc/35/06/22/1098350622.db2.gz RUPTZOUIEZCRSK-NSHDSACASA-N -1 1 318.373 3.263 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234476072 1098564858 /nfs/dbraw/zinc/56/48/58/1098564858.db2.gz KJHRNSBPETWPCE-JTQLQIEISA-N -1 1 317.297 3.349 20 10 DGCDMM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001180072056 1099301924 /nfs/dbraw/zinc/30/19/24/1099301924.db2.gz MNCMQMUMHLVJIU-UHFFFAOYSA-N -1 1 306.268 3.094 20 10 DGCDMM C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236794257 1099788337 /nfs/dbraw/zinc/78/83/37/1099788337.db2.gz QZBLKAITBVGVGR-VHSXEESVSA-N -1 1 304.217 3.292 20 10 DGCDMM COc1cc([O-])c(CN2CC(F)(F)C[C@H]2CF)c(Cl)c1 ZINC001236797587 1099790414 /nfs/dbraw/zinc/79/04/14/1099790414.db2.gz HKJVWIJRYOKKHY-QMMMGPOBSA-N -1 1 309.715 3.233 20 10 DGCDMM COc1ccc(CN2CC3(C2)C[C@H](F)CS3)c([O-])c1Cl ZINC001236805603 1099799083 /nfs/dbraw/zinc/79/90/83/1099799083.db2.gz BZYNACMGKYYHQP-JTQLQIEISA-N -1 1 317.813 3.084 20 10 DGCDMM Cc1ncc(CN(C)Cc2c([O-])ccc(Cl)c2Cl)cn1 ZINC001237085339 1099964393 /nfs/dbraw/zinc/96/43/93/1099964393.db2.gz YDISDCMAAPUKFW-UHFFFAOYSA-N -1 1 312.200 3.429 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2c(O)cccc2C1 ZINC001237933612 1100296515 /nfs/dbraw/zinc/29/65/15/1100296515.db2.gz DWBFQMGPOJPCGQ-UHFFFAOYSA-N -1 1 307.752 3.449 20 10 DGCDMM CN(CCCc1ccccc1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193224807 1100717879 /nfs/dbraw/zinc/71/78/79/1100717879.db2.gz BBIITJFRVXAXIG-UHFFFAOYSA-N -1 1 319.788 3.456 20 10 DGCDMM Cc1cnc(Cl)c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193209418 1100718067 /nfs/dbraw/zinc/71/80/67/1100718067.db2.gz JZOMSYVWFFPPLP-UHFFFAOYSA-N -1 1 313.140 3.360 20 10 DGCDMM Cn1ccc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc21 ZINC001193233213 1100719180 /nfs/dbraw/zinc/71/91/80/1100719180.db2.gz WIHPGBNRRLONCK-UHFFFAOYSA-N -1 1 316.744 3.495 20 10 DGCDMM CN(C)c1ccccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193232252 1100719372 /nfs/dbraw/zinc/71/93/72/1100719372.db2.gz GHQYAHYZXKOFNR-UHFFFAOYSA-N -1 1 306.749 3.070 20 10 DGCDMM CC(C)(CNC(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1 ZINC001193236603 1100719547 /nfs/dbraw/zinc/71/95/47/1100719547.db2.gz JDBNFCJEOZKOQE-UHFFFAOYSA-N -1 1 319.788 3.459 20 10 DGCDMM Cc1n[nH]c2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc12 ZINC001193230583 1100722601 /nfs/dbraw/zinc/72/26/01/1100722601.db2.gz WLAGGFJAXGZFTL-UHFFFAOYSA-N -1 1 317.732 3.188 20 10 DGCDMM Cn1c(=O)oc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC001201209732 1102521500 /nfs/dbraw/zinc/52/15/00/1102521500.db2.gz MTUUGYINLQMMKD-UHFFFAOYSA-N -1 1 322.723 3.242 20 10 DGCDMM CSc1ccc2nc(-c3cc(O)c([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC001251027156 1105621923 /nfs/dbraw/zinc/62/19/23/1105621923.db2.gz KZVPQDDEBLQDDI-UHFFFAOYSA-N -1 1 317.326 3.271 20 10 DGCDMM CN(Cc1ccccc1O)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001254936876 1106156852 /nfs/dbraw/zinc/15/68/52/1106156852.db2.gz XXPGTENYGCEVSX-UHFFFAOYSA-N -1 1 320.776 3.093 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1Cl ZINC001259134766 1107084051 /nfs/dbraw/zinc/08/40/51/1107084051.db2.gz FWSPAHIBBVWZSS-UHFFFAOYSA-N -1 1 315.753 3.294 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1C ZINC001259167165 1107088266 /nfs/dbraw/zinc/08/82/66/1107088266.db2.gz BDPUWQFOFFOYDH-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001259177100 1107092958 /nfs/dbraw/zinc/09/29/58/1107092958.db2.gz ABCSWTNEVOKYPR-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM CC[C@@H](C)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC001260740004 1107309382 /nfs/dbraw/zinc/30/93/82/1107309382.db2.gz NYTYABCMAIFVCR-CYBMUJFWSA-N -1 1 317.410 3.458 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCc2ccccc2O1 ZINC001305085394 1111192997 /nfs/dbraw/zinc/19/29/97/1111192997.db2.gz XNLBHYBOSNSSKU-OAHLLOKOSA-N -1 1 317.772 3.056 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CNc2nc3ccc(Cl)cc3[nH]2)c1 ZINC001308509792 1111436186 /nfs/dbraw/zinc/43/61/86/1111436186.db2.gz GSKOQMDOHBVTGC-UHFFFAOYSA-N -1 1 318.720 3.442 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC001308624793 1111452933 /nfs/dbraw/zinc/45/29/33/1111452933.db2.gz BZNXKJMMRXGFOW-KRWDZBQOSA-N -1 1 323.314 3.383 20 10 DGCDMM C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1nncn1C ZINC000273568658 299345125 /nfs/dbraw/zinc/34/51/25/299345125.db2.gz KDSLJHUWDRDUCR-YUMQZZPRSA-N -1 1 315.204 3.239 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cc[nH]n2)c1[O-] ZINC000286123943 131220415 /nfs/dbraw/zinc/22/04/15/131220415.db2.gz MGXBVVUDILYEPX-OAHLLOKOSA-N -1 1 319.792 3.308 20 10 DGCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cccc(F)c1 ZINC000096744381 431956261 /nfs/dbraw/zinc/95/62/61/431956261.db2.gz QIUQNEPZDYLDLW-UHFFFAOYSA-N -1 1 320.389 3.227 20 10 DGCDMM CCc1cnc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273624090 432618777 /nfs/dbraw/zinc/61/87/77/432618777.db2.gz ZUZYXTSYMZQSAL-SECBINFHSA-N -1 1 307.375 3.170 20 10 DGCDMM CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754945 432682687 /nfs/dbraw/zinc/68/26/87/432682687.db2.gz DDANUTCSZLZXBW-BXKDBHETSA-N -1 1 322.359 3.010 20 10 DGCDMM CC[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277651623 432866994 /nfs/dbraw/zinc/86/69/94/432866994.db2.gz ZAEJCFRMMWSUAZ-VIFPVBQESA-N -1 1 300.196 3.207 20 10 DGCDMM CCC(CC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277550835 432859572 /nfs/dbraw/zinc/85/95/72/432859572.db2.gz OGUFSGSDBFWYHV-UHFFFAOYSA-N -1 1 300.196 3.207 20 10 DGCDMM CCc1nocc1C[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000293715757 335112332 /nfs/dbraw/zinc/11/23/32/335112332.db2.gz STWMSDWGNPRFAL-UHFFFAOYSA-N -1 1 310.781 3.237 20 10 DGCDMM O=C([O-])Nc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000740021264 574919240 /nfs/dbraw/zinc/91/92/40/574919240.db2.gz ZSBSXTGDFPPKQD-UHFFFAOYSA-N -1 1 320.776 3.468 20 10 DGCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000728980874 575199047 /nfs/dbraw/zinc/19/90/47/575199047.db2.gz PCRUXIDBWWMPHL-SECBINFHSA-N -1 1 321.760 3.251 20 10 DGCDMM CCCCn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890759688 617656399 /nfs/dbraw/zinc/65/63/99/617656399.db2.gz HARNSXAMFYHAAN-UHFFFAOYSA-N -1 1 321.808 3.281 20 10 DGCDMM Cc1oc(C(C)C)nc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759139 617656558 /nfs/dbraw/zinc/65/65/58/617656558.db2.gz DMFGEXUTGZQBIB-UHFFFAOYSA-N -1 1 308.765 3.395 20 10 DGCDMM CC[C@H](C)n1nc(C(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC000890759946 617657078 /nfs/dbraw/zinc/65/70/78/617657078.db2.gz WXFWJYSIJNWFPR-JTQLQIEISA-N -1 1 321.808 3.452 20 10 DGCDMM CC(C)C[C@H](C(=O)NCc1cccc(Cl)c1[O-])n1ccnc1 ZINC000890760840 617657125 /nfs/dbraw/zinc/65/71/25/617657125.db2.gz APOCFSNIGHOZPX-CQSZACIVSA-N -1 1 321.808 3.146 20 10 DGCDMM O=C(C[C@@H]1CCC2(CCC2)O1)NCc1cccc(Cl)c1[O-] ZINC000890762458 617658013 /nfs/dbraw/zinc/65/80/13/617658013.db2.gz DBKVLZLURFGOCB-LBPRGKRZSA-N -1 1 309.793 3.154 20 10 DGCDMM CC(C)[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890762846 617658473 /nfs/dbraw/zinc/65/84/73/617658473.db2.gz KNAWLXTTYQBSJY-BXUZGUMPSA-N -1 1 311.809 3.113 20 10 DGCDMM CC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000893174611 618460351 /nfs/dbraw/zinc/46/03/51/618460351.db2.gz DPURTLPKLYEHKZ-AWEZNQCLSA-N -1 1 319.792 3.391 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCCS1 ZINC000894128906 618716612 /nfs/dbraw/zinc/71/66/12/618716612.db2.gz KGLKUMKUJQKEHM-NSHDSACASA-N -1 1 314.838 3.131 20 10 DGCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])CC(F)F ZINC000895492860 618791126 /nfs/dbraw/zinc/79/11/26/618791126.db2.gz GZLUZXOFICVHHA-QMMMGPOBSA-N -1 1 306.740 3.136 20 10 DGCDMM CCSC1(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000895839503 618836953 /nfs/dbraw/zinc/83/69/53/618836953.db2.gz HVJMMDRKISRFCE-UHFFFAOYSA-N -1 1 314.838 3.131 20 10 DGCDMM CC1(C)CCCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000789063406 625347061 /nfs/dbraw/zinc/34/70/61/625347061.db2.gz DMZFSNMFDCBGIA-GFCCVEGCSA-N -1 1 306.358 3.040 20 10 DGCDMM CC(C)(C)CCS(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901963286 619568476 /nfs/dbraw/zinc/56/84/76/619568476.db2.gz PUBDFIUJGRCMTI-UHFFFAOYSA-N -1 1 309.790 3.363 20 10 DGCDMM C[C@H](NCc1ccon1)c1cc(Br)cc(F)c1[O-] ZINC000756635747 621654686 /nfs/dbraw/zinc/65/46/86/621654686.db2.gz HIHIAHHMTZQDKN-ZETCQYMHSA-N -1 1 315.142 3.133 20 10 DGCDMM CC(F)(F)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765750570 622284746 /nfs/dbraw/zinc/28/47/46/622284746.db2.gz IBJIMYPJMZSAIX-UHFFFAOYSA-N -1 1 322.149 3.206 20 10 DGCDMM C[C@@H]1[C@H](C)SCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769445592 622528342 /nfs/dbraw/zinc/52/83/42/622528342.db2.gz HKJQVAKWLGOATB-BDAKNGLRSA-N -1 1 316.810 3.280 20 10 DGCDMM CN(Cc1cc2ccccc2o1)C(=O)c1c([O-])c(O)ccc1F ZINC000789988960 625591482 /nfs/dbraw/zinc/59/14/82/625591482.db2.gz CQFUJHGKPVLVEO-UHFFFAOYSA-N -1 1 315.300 3.255 20 10 DGCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])c1cccc(F)c1 ZINC000790071512 625600927 /nfs/dbraw/zinc/60/09/27/625600927.db2.gz VZINBPYHMQNMBB-UHFFFAOYSA-N -1 1 321.323 3.084 20 10 DGCDMM CC(C)CN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774545889 623158876 /nfs/dbraw/zinc/15/88/76/623158876.db2.gz BLTDPANALQVSGY-KRWDZBQOSA-N -1 1 318.804 3.285 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1cc(C2CC2)ncn1 ZINC000882268821 625681807 /nfs/dbraw/zinc/68/18/07/625681807.db2.gz CUQSYQVRLWGVKF-UHFFFAOYSA-N -1 1 320.190 3.434 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000781892797 624165467 /nfs/dbraw/zinc/16/54/67/624165467.db2.gz DMQYIEVYSZSNHF-PHIMTYICSA-N -1 1 314.223 3.072 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000781896036 624166908 /nfs/dbraw/zinc/16/69/08/624166908.db2.gz GMJHFZOKHPYCSJ-GHMZBOCLSA-N -1 1 314.223 3.072 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C)[C@H]2C)c1 ZINC000781908686 624169004 /nfs/dbraw/zinc/16/90/04/624169004.db2.gz KXKKEUVQFXMZSF-MNOVXSKESA-N -1 1 314.223 3.072 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCc3ncsc3C2)c1[O-] ZINC000782633891 624269005 /nfs/dbraw/zinc/26/90/05/624269005.db2.gz MXSMWVSUURNNMW-UHFFFAOYSA-N -1 1 322.817 3.263 20 10 DGCDMM CCCCC[C@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783904126 624407192 /nfs/dbraw/zinc/40/71/92/624407192.db2.gz UXYIGGCSWDAFJH-LBPRGKRZSA-N -1 1 308.374 3.430 20 10 DGCDMM O=C(CC1CCCCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784034632 624425745 /nfs/dbraw/zinc/42/57/45/624425745.db2.gz REVHVWJJQDCFPO-UHFFFAOYSA-N -1 1 306.358 3.184 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(-n2nccn2)cc1 ZINC000790976631 625727344 /nfs/dbraw/zinc/72/73/44/625727344.db2.gz VKQOCIFDIYQTGP-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1[O-] ZINC000791560425 625824912 /nfs/dbraw/zinc/82/49/12/625824912.db2.gz VYBPPLHZWBLOOR-HWPZZCPQSA-N -1 1 323.820 3.248 20 10 DGCDMM COc1ccc2c(c1)OCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000802658959 626565972 /nfs/dbraw/zinc/56/59/72/626565972.db2.gz BBFHFDMRCVHTIH-UHFFFAOYSA-N -1 1 319.788 3.449 20 10 DGCDMM CC[C@H](NCc1cn(C)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157421 626703223 /nfs/dbraw/zinc/70/32/23/626703223.db2.gz FSWPCMZYFQCVLC-LBPRGKRZSA-N -1 1 315.204 3.068 20 10 DGCDMM CC(C)n1cc(CNCc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000809776080 626951154 /nfs/dbraw/zinc/95/11/54/626951154.db2.gz SQMHMVPMKINLIT-UHFFFAOYSA-N -1 1 315.204 3.161 20 10 DGCDMM O=C1OCc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000809788360 626953929 /nfs/dbraw/zinc/95/39/29/626953929.db2.gz IZGOINUTLMDQNJ-UHFFFAOYSA-N -1 1 307.708 3.467 20 10 DGCDMM C[C@]1(C(=O)NCc2cccc(Br)c2[O-])C[C@H]2C[C@H]2C1 ZINC000816495764 627797393 /nfs/dbraw/zinc/79/73/93/627797393.db2.gz IWBVJMIJOXLNAF-HBYGRHMLSA-N -1 1 324.218 3.207 20 10 DGCDMM O=C1COc2c(NCc3cc(Cl)c(F)cc3[O-])cccc2N1 ZINC000816614617 627815101 /nfs/dbraw/zinc/81/51/01/627815101.db2.gz ANRFOXWLEIPIDR-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](CO)c2ccccc21 ZINC000816636675 627817530 /nfs/dbraw/zinc/81/75/30/627817530.db2.gz DVPDYNMOGBIMIZ-LLVKDONJSA-N -1 1 307.752 3.281 20 10 DGCDMM C/C(=C\CN(Cc1ccco1)Cc1ccccc1O)C(=O)[O-] ZINC000825730390 628792078 /nfs/dbraw/zinc/79/20/78/628792078.db2.gz WAZNZLLMKSOEDA-MDWZMJQESA-N -1 1 301.342 3.018 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1cc2n(n1)CCC2 ZINC000825940411 628812345 /nfs/dbraw/zinc/81/23/45/628812345.db2.gz WLSUXPLHWUBNRY-UHFFFAOYSA-N -1 1 312.200 3.132 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC3(CCC3)C2)c1[O-] ZINC000830716578 629297864 /nfs/dbraw/zinc/29/78/64/629297864.db2.gz WYNIMUGNKARGNY-NSHDSACASA-N -1 1 323.820 3.392 20 10 DGCDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832340312 629469433 /nfs/dbraw/zinc/46/94/33/629469433.db2.gz CLMUKTSUITXBPG-MRXNPFEDSA-N -1 1 303.333 3.058 20 10 DGCDMM C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833694153 629641502 /nfs/dbraw/zinc/64/15/02/629641502.db2.gz BQYONMASPAVBAN-HNNXBMFYSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833694153 629641505 /nfs/dbraw/zinc/64/15/05/629641505.db2.gz BQYONMASPAVBAN-HNNXBMFYSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694541 629641689 /nfs/dbraw/zinc/64/16/89/629641689.db2.gz LSYUAIDQHRVMQW-CQSZACIVSA-N -1 1 323.751 3.442 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OCC23CCC3)c1[O-] ZINC000844422781 630727802 /nfs/dbraw/zinc/72/78/02/630727802.db2.gz PFFBMXFDWLWZCL-LLVKDONJSA-N -1 1 323.820 3.392 20 10 DGCDMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000849305478 631886794 /nfs/dbraw/zinc/88/67/94/631886794.db2.gz NAAWKYRXXCYPLL-LBPRGKRZSA-N -1 1 321.398 3.370 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000036961340 655557304 /nfs/dbraw/zinc/55/73/04/655557304.db2.gz UCRNTJSABCKOGM-UHFFFAOYSA-N -1 1 318.181 3.500 20 10 DGCDMM Cc1cc(NC(=O)NCc2cccc(Cl)c2[O-])nn1C(C)C ZINC000931782380 661508056 /nfs/dbraw/zinc/50/80/56/661508056.db2.gz TTWGDJLWTHDRCM-UHFFFAOYSA-N -1 1 322.796 3.453 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccc(-n2nccn2)cc1 ZINC000158061334 661870101 /nfs/dbraw/zinc/87/01/01/661870101.db2.gz PUUBIHQGYUPYBG-UHFFFAOYSA-N -1 1 300.749 3.238 20 10 DGCDMM Cc1cc(O)c(CN[C@@H](C(=O)[O-])c2cccs2)cc1Cl ZINC001600286820 1192827550 /nfs/dbraw/zinc/82/75/50/1192827550.db2.gz WUZUZTMPFSBRIT-CYBMUJFWSA-N -1 1 311.790 3.331 20 10 DGCDMM Cc1oc(C[N@H+](C)Cc2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC001600843052 1192903305 /nfs/dbraw/zinc/90/33/05/1192903305.db2.gz WRBVNFCBKCKSIM-UHFFFAOYSA-N -1 1 309.749 3.277 20 10 DGCDMM Cc1oc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1C(=O)[O-] ZINC001600843052 1192903308 /nfs/dbraw/zinc/90/33/08/1192903308.db2.gz WRBVNFCBKCKSIM-UHFFFAOYSA-N -1 1 309.749 3.277 20 10 DGCDMM Cc1oc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1C(=O)[O-] ZINC001600843052 1192903311 /nfs/dbraw/zinc/90/33/11/1192903311.db2.gz WRBVNFCBKCKSIM-UHFFFAOYSA-N -1 1 309.749 3.277 20 10 DGCDMM Cc1oc(CN(C)Cc2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC001600843052 1192903315 /nfs/dbraw/zinc/90/33/15/1192903315.db2.gz WRBVNFCBKCKSIM-UHFFFAOYSA-N -1 1 309.749 3.277 20 10 DGCDMM COc1cccc(F)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336082907 1178990947 /nfs/dbraw/zinc/99/09/47/1178990947.db2.gz GKQWKIASYHDJPM-JTQLQIEISA-N -1 1 320.320 3.299 20 10 DGCDMM O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC001601990059 1192955078 /nfs/dbraw/zinc/95/50/78/1192955078.db2.gz KZUSCIRJYCVUKG-UHFFFAOYSA-N -1 1 317.360 3.398 20 10 DGCDMM CC(C)C1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC001603748964 1193029490 /nfs/dbraw/zinc/02/94/90/1193029490.db2.gz NVVFVPASVYFZLX-UHFFFAOYSA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)C1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC001603748964 1193029493 /nfs/dbraw/zinc/02/94/93/1193029493.db2.gz NVVFVPASVYFZLX-UHFFFAOYSA-N -1 1 311.809 3.368 20 10 DGCDMM C[C@@](C[NH2+]Cc1c([O-])cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001604185787 1193058611 /nfs/dbraw/zinc/05/86/11/1193058611.db2.gz SONPDZQJQOZXIM-KRWDZBQOSA-N -1 1 319.788 3.178 20 10 DGCDMM CC(=O)c1csc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001457034526 1182440685 /nfs/dbraw/zinc/44/06/85/1182440685.db2.gz HOHXNQPTXLIEIR-UHFFFAOYSA-N -1 1 309.774 3.240 20 10 DGCDMM [O-]c1c(F)cc(Br)cc1CNc1cc(F)ccn1 ZINC001461743400 1182848980 /nfs/dbraw/zinc/84/89/80/1182848980.db2.gz KNORXXDCGDCIDQ-UHFFFAOYSA-N -1 1 315.117 3.440 20 10 DGCDMM O=C(Cn1ccc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001606860144 1193206272 /nfs/dbraw/zinc/20/62/72/1193206272.db2.gz GIHKZXHTOFNFMT-UHFFFAOYSA-N -1 1 314.772 3.317 20 10 DGCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001472316057 1183634602 /nfs/dbraw/zinc/63/46/02/1183634602.db2.gz JYZMVEXNQWCUJY-UHFFFAOYSA-N -1 1 309.774 3.240 20 10 DGCDMM CSc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001472550925 1183651471 /nfs/dbraw/zinc/65/14/71/1183651471.db2.gz NRUMNQSWHDEZKV-SECBINFHSA-N -1 1 321.373 3.450 20 10 DGCDMM CNC(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001474250198 1183889548 /nfs/dbraw/zinc/88/95/48/1183889548.db2.gz LEOSZUFIKSBPAU-UHFFFAOYSA-N -1 1 321.327 3.058 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCOc2cccc(F)c2C1 ZINC001474472904 1183927800 /nfs/dbraw/zinc/92/78/00/1183927800.db2.gz HONORDBBONOWJQ-UHFFFAOYSA-N -1 1 309.287 3.204 20 10 DGCDMM O=C([O-])c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCCC3)C2 ZINC001608923357 1193313416 /nfs/dbraw/zinc/31/34/16/1193313416.db2.gz RHODYWRTWQZHDV-UHFFFAOYSA-N -1 1 323.392 3.485 20 10 DGCDMM COC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249628 1193379903 /nfs/dbraw/zinc/37/99/03/1193379903.db2.gz RJVCKQFVZWPTCT-SMDDNHRTSA-N -1 1 319.357 3.030 20 10 DGCDMM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21 ZINC001610803609 1193409142 /nfs/dbraw/zinc/40/91/42/1193409142.db2.gz GWZPVDIBCZEAAD-UOIKSKOESA-N -1 1 323.348 3.054 20 10 DGCDMM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3cc4oc5ccccc5c4cc3[O-])C[C@@H]21 ZINC001610803609 1193409145 /nfs/dbraw/zinc/40/91/45/1193409145.db2.gz GWZPVDIBCZEAAD-UOIKSKOESA-N -1 1 323.348 3.054 20 10 DGCDMM O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3cc4oc5ccccc5c4cc3[O-])C[C@@H]21 ZINC001610803609 1193409146 /nfs/dbraw/zinc/40/91/46/1193409146.db2.gz GWZPVDIBCZEAAD-UOIKSKOESA-N -1 1 323.348 3.054 20 10 DGCDMM CCCc1cc(C(=O)[N-]c2c3nonc3ccc2Cl)no1 ZINC001531533503 1187695551 /nfs/dbraw/zinc/69/55/51/1187695551.db2.gz MLUQIOCXMDWKHF-UHFFFAOYSA-N -1 1 306.709 3.069 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1onc2ccccc21 ZINC001558757808 1189146495 /nfs/dbraw/zinc/14/64/95/1189146495.db2.gz TZFZWZOONQXADE-UHFFFAOYSA-N -1 1 302.717 3.117 20 10 DGCDMM CC[C@H](CCc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001559014402 1189162639 /nfs/dbraw/zinc/16/26/39/1189162639.db2.gz BXBQALYLOSSMSF-CYBMUJFWSA-N -1 1 317.360 3.378 20 10 DGCDMM CC1=CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001560684858 1189360455 /nfs/dbraw/zinc/36/04/55/1189360455.db2.gz BVBBNNKKWVDPIB-UHFFFAOYSA-N -1 1 300.171 3.446 20 10 DGCDMM Cc1noc(-c2ccc(NCc3cccc(Cl)c3[O-])cn2)n1 ZINC001560840850 1189392490 /nfs/dbraw/zinc/39/24/90/1189392490.db2.gz CBLKNJJRTCQFKJ-UHFFFAOYSA-N -1 1 316.748 3.411 20 10 DGCDMM CN1CCc2cc(NCc3cccc(Cl)c3[O-])ccc2C1=O ZINC001621429272 1193842362 /nfs/dbraw/zinc/84/23/62/1193842362.db2.gz SSDCVKZQPSEDEB-UHFFFAOYSA-N -1 1 316.788 3.286 20 10 DGCDMM CC(C)Oc1ncccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001637227306 1194657805 /nfs/dbraw/zinc/65/78/05/1194657805.db2.gz WDXGLXQPKOCGEQ-UHFFFAOYSA-N -1 1 320.776 3.158 20 10 DGCDMM O=C(Cc1cccc(F)c1F)NCc1cccc(Cl)c1[O-] ZINC001637226916 1194657941 /nfs/dbraw/zinc/65/79/41/1194657941.db2.gz FJQKAAHCRXAHDV-UHFFFAOYSA-N -1 1 311.715 3.183 20 10 DGCDMM CCSc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccn1 ZINC001637227143 1194658013 /nfs/dbraw/zinc/65/80/13/1194658013.db2.gz PDTYLXYLGHRSEO-UHFFFAOYSA-N -1 1 322.817 3.483 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(Cl)nc1F ZINC001640405250 1194811576 /nfs/dbraw/zinc/81/15/76/1194811576.db2.gz OAFJGCVJOQSCLY-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM Cc1cc(C)c(CNC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC001641146859 1194841412 /nfs/dbraw/zinc/84/14/12/1194841412.db2.gz RSJTVSXDIWSORW-UHFFFAOYSA-N -1 1 303.333 3.092 20 10 DGCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(F)c1F ZINC001648669819 1195320624 /nfs/dbraw/zinc/32/06/24/1195320624.db2.gz UCUADGAVJBXWFG-ZETCQYMHSA-N -1 1 311.259 3.006 20 10 DGCDMM C[C@H](CCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC001648745805 1195327802 /nfs/dbraw/zinc/32/78/02/1195327802.db2.gz VPYBXULCNNIYDY-LLVKDONJSA-N -1 1 303.333 3.161 20 10 DGCDMM O=c1[nH]ccc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC001651306424 1195441679 /nfs/dbraw/zinc/44/16/79/1195441679.db2.gz UOSGAAOAQLVEKG-UHFFFAOYSA-N -1 1 302.280 3.124 20 10 DGCDMM COc1cc(NCc2c([O-])ccc(Cl)c2F)cnc1OC ZINC001656647499 1196057405 /nfs/dbraw/zinc/05/74/05/1196057405.db2.gz IUXHNPKKMBPQAK-UHFFFAOYSA-N -1 1 312.728 3.209 20 10 DGCDMM Cc1cc(F)c(CNCc2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC001658055244 1196207475 /nfs/dbraw/zinc/20/74/75/1196207475.db2.gz BYXYRQCQWWLBFQ-UHFFFAOYSA-N -1 1 308.284 3.177 20 10 DGCDMM Cc1csc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001682658721 1199180741 /nfs/dbraw/zinc/18/07/41/1199180741.db2.gz CPIYQMCYWVWSPA-UHFFFAOYSA-N -1 1 310.806 3.415 20 10 DGCDMM C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2[O-] ZINC001589291461 953604505 /nfs/dbraw/zinc/60/45/05/953604505.db2.gz IVFRCODADDSPPC-YUVKLTJASA-N -1 1 307.365 3.313 20 10 DGCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c(O)cccc1Cl ZINC000128807332 958681905 /nfs/dbraw/zinc/68/19/05/958681905.db2.gz NRRRPBVWFPBNET-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c([O-])cccc1Cl ZINC000128807332 958681914 /nfs/dbraw/zinc/68/19/14/958681914.db2.gz NRRRPBVWFPBNET-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c([O-])cccc1Cl ZINC000128807332 958681923 /nfs/dbraw/zinc/68/19/23/958681923.db2.gz NRRRPBVWFPBNET-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM C[C@@](C[NH2+]Cc1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592710869 979198859 /nfs/dbraw/zinc/19/88/59/979198859.db2.gz YFFYIQUFZVZSTP-KRWDZBQOSA-N -1 1 319.788 3.178 20 10 DGCDMM Nc1ccc(N(CCO)c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC001210926482 1082047066 /nfs/dbraw/zinc/04/70/66/1082047066.db2.gz BFJWEQPMCQZKGX-UHFFFAOYSA-N -1 1 313.184 3.412 20 10 DGCDMM CC1(C)CCC(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001185980692 1084563781 /nfs/dbraw/zinc/56/37/81/1084563781.db2.gz MVWAVYHXEJRXHR-UHFFFAOYSA-N -1 1 319.401 3.003 20 10 DGCDMM CO[C@](C)(C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001159034364 1088152998 /nfs/dbraw/zinc/15/29/98/1088152998.db2.gz SJCQLNOEVVTZEX-KRWDZBQOSA-N -1 1 319.788 3.224 20 10 DGCDMM Cc1ncc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001159041433 1088155472 /nfs/dbraw/zinc/15/54/72/1088155472.db2.gz MSZJDHJEBXSOOW-AATRIKPKSA-N -1 1 308.790 3.140 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCc2ncncc2C1 ZINC001236797233 1089910618 /nfs/dbraw/zinc/91/06/18/1089910618.db2.gz WANYWFJVUWQBDK-UHFFFAOYSA-N -1 1 310.184 3.047 20 10 DGCDMM CCc1ccc([C@H]2COCCN2Cc2cc(F)c(F)cc2[O-])o1 ZINC001204346956 1090953226 /nfs/dbraw/zinc/95/32/26/1090953226.db2.gz FMDPPJIOQIELFH-OAHLLOKOSA-N -1 1 323.339 3.399 20 10 DGCDMM CN(Cc1ccc2c(c1)OCO2)Cc1c(F)ccc(F)c1[O-] ZINC001139685962 1091641221 /nfs/dbraw/zinc/64/12/21/1091641221.db2.gz HVKRJNGJHNICCH-UHFFFAOYSA-N -1 1 307.296 3.031 20 10 DGCDMM Cc1nc([C@H]2COCCN2Cc2c([O-])cccc2Cl)cs1 ZINC001140339445 1091833613 /nfs/dbraw/zinc/83/36/13/1091833613.db2.gz UZVSHTNFTMYWCJ-CQSZACIVSA-N -1 1 324.833 3.384 20 10 DGCDMM O=[N+]([O-])c1c(NCc2cccc(Cl)c2[O-])nc2sccn21 ZINC001307229669 1091847760 /nfs/dbraw/zinc/84/77/60/1091847760.db2.gz LSJIHMGYGMGWLM-UHFFFAOYSA-N -1 1 324.749 3.275 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CC(OCc2ccccc2)C1 ZINC001142520921 1092493281 /nfs/dbraw/zinc/49/32/81/1092493281.db2.gz RLBUXGVAQVKCED-UHFFFAOYSA-N -1 1 305.324 3.071 20 10 DGCDMM C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566367 1097781010 /nfs/dbraw/zinc/78/10/10/1097781010.db2.gz ZUNMTEZGYPFMOD-GORDUTHDSA-N -1 1 312.369 3.021 20 10 DGCDMM [O-]c1c(CN2CCOCC23CCC3)cccc1C(F)(F)F ZINC001233418784 1098325197 /nfs/dbraw/zinc/32/51/97/1098325197.db2.gz WMUYRJVXWCDFLA-UHFFFAOYSA-N -1 1 301.308 3.166 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cn(C)nc1C ZINC001233495789 1098350321 /nfs/dbraw/zinc/35/03/21/1098350321.db2.gz RUPTZOUIEZCRSK-LLVKDONJSA-N -1 1 318.373 3.263 20 10 DGCDMM Cc1cc(C(N)=O)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC001179707023 1099180677 /nfs/dbraw/zinc/18/06/77/1099180677.db2.gz YDLIELJCPUSLJP-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC001180409530 1099411021 /nfs/dbraw/zinc/41/10/21/1099411021.db2.gz AAPCDRCQHFLSRY-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237806370 1100254290 /nfs/dbraw/zinc/25/42/90/1100254290.db2.gz VBIRCVAOAJCXQT-CYBMUJFWSA-N -1 1 321.726 3.185 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@H](c2ccncc2)C1 ZINC001237949464 1100302140 /nfs/dbraw/zinc/30/21/40/1100302140.db2.gz MPFHTOCVALBKDA-INIZCTEOSA-N -1 1 322.767 3.153 20 10 DGCDMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(O)c([O-])c1Cl ZINC001193246729 1100720402 /nfs/dbraw/zinc/72/04/02/1100720402.db2.gz ASEIICSYQUOEFT-NWDGAFQWSA-N -1 1 321.735 3.176 20 10 DGCDMM Cc1cccc(C)c1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001194633635 1100977817 /nfs/dbraw/zinc/97/78/17/1100977817.db2.gz BXNFMNKNIHHWIO-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM O=[N+]([O-])c1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(O)c1[O-] ZINC001251027736 1105622254 /nfs/dbraw/zinc/62/22/54/1105622254.db2.gz WEUXNVCAEODGIV-UHFFFAOYSA-N -1 1 305.677 3.203 20 10 DGCDMM COc1ccc(-c2nnc(-c3ccc(O)c([O-])c3Cl)o2)cc1 ZINC001252029907 1105728515 /nfs/dbraw/zinc/72/85/15/1105728515.db2.gz YLAXFMVOJUNTCS-UHFFFAOYSA-N -1 1 318.716 3.477 20 10 DGCDMM Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001254786381 1106141963 /nfs/dbraw/zinc/14/19/63/1106141963.db2.gz KTOMTMWTZRXKSZ-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1cccc(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001259748388 1107189393 /nfs/dbraw/zinc/18/93/93/1107189393.db2.gz LOXQGLHCFOYZSY-UHFFFAOYSA-N -1 1 311.790 3.296 20 10 DGCDMM CC(C)CS(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001259886469 1107219876 /nfs/dbraw/zinc/21/98/76/1107219876.db2.gz COJCEYWUDDSHSI-UHFFFAOYSA-N -1 1 315.394 3.296 20 10 DGCDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000041371898 183187396 /nfs/dbraw/zinc/18/73/96/183187396.db2.gz OKRZPKCBLKQHAP-UHFFFAOYSA-N -1 1 316.426 3.396 20 10 DGCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287231340 292014395 /nfs/dbraw/zinc/01/43/95/292014395.db2.gz GQWXBFYLIZYQLZ-ISVAXAHUSA-N -1 1 317.307 3.170 20 10 DGCDMM Cc1csc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000116382789 431506488 /nfs/dbraw/zinc/50/64/88/431506488.db2.gz AONDGTMHRYAPOT-UHFFFAOYSA-N -1 1 307.375 3.090 20 10 DGCDMM Cc1cnc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)s1 ZINC000271884873 432428446 /nfs/dbraw/zinc/42/84/46/432428446.db2.gz VUWPWPGVOLMMMZ-UHFFFAOYSA-N -1 1 323.849 3.133 20 10 DGCDMM CC[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277651620 432867201 /nfs/dbraw/zinc/86/72/01/432867201.db2.gz ZAEJCFRMMWSUAZ-SECBINFHSA-N -1 1 300.196 3.207 20 10 DGCDMM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000737094404 574823454 /nfs/dbraw/zinc/82/34/54/574823454.db2.gz QHCTZQZODBDGQN-UHFFFAOYSA-N -1 1 302.374 3.114 20 10 DGCDMM O=C([O-])[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739597951 574908833 /nfs/dbraw/zinc/90/88/33/574908833.db2.gz IGZWTUZADKSYKT-LLVKDONJSA-N -1 1 311.337 3.198 20 10 DGCDMM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739597951 574908835 /nfs/dbraw/zinc/90/88/35/574908835.db2.gz IGZWTUZADKSYKT-LLVKDONJSA-N -1 1 311.337 3.198 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)ccc1O ZINC000227229588 604677667 /nfs/dbraw/zinc/67/76/67/604677667.db2.gz SZTXMRWUXIJTJZ-BPNCWPANSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000227229588 604677669 /nfs/dbraw/zinc/67/76/69/604677669.db2.gz SZTXMRWUXIJTJZ-BPNCWPANSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000227229588 604677672 /nfs/dbraw/zinc/67/76/72/604677672.db2.gz SZTXMRWUXIJTJZ-BPNCWPANSA-N -1 1 309.793 3.263 20 10 DGCDMM Cc1noc(C(C)C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758431 617656328 /nfs/dbraw/zinc/65/63/28/617656328.db2.gz YDQMBBCNEYGINF-UHFFFAOYSA-N -1 1 308.765 3.395 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000890759375 617656474 /nfs/dbraw/zinc/65/64/74/617656474.db2.gz KKAASEIXNVXIQR-UHFFFAOYSA-N -1 1 311.809 3.115 20 10 DGCDMM Cc1csc([C@H](C)C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890759488 617656542 /nfs/dbraw/zinc/65/65/42/617656542.db2.gz LJAZADOAUBXMDY-SECBINFHSA-N -1 1 310.806 3.230 20 10 DGCDMM Cc1csc(CCCC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890759239 617656565 /nfs/dbraw/zinc/65/65/65/617656565.db2.gz IBAUFXHADVPDEE-UHFFFAOYSA-N -1 1 324.833 3.450 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCc2ccccc2C1 ZINC000890760916 617657016 /nfs/dbraw/zinc/65/70/16/617657016.db2.gz DTUZFHHHPPHSMB-CQSZACIVSA-N -1 1 315.800 3.467 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(NC2CC2)s1 ZINC000890763032 617658438 /nfs/dbraw/zinc/65/84/38/617658438.db2.gz NEIYRBGECQHWFZ-UHFFFAOYSA-N -1 1 323.805 3.006 20 10 DGCDMM CC1(C)CC[C@H](CC(=O)NCc2cccc(Cl)c2[O-])OC1 ZINC000890763118 617658490 /nfs/dbraw/zinc/65/84/90/617658490.db2.gz NSRXZIIDDQHVOR-GFCCVEGCSA-N -1 1 311.809 3.257 20 10 DGCDMM CC(C)c1cc(CNC(=O)NCc2cccc(Cl)c2[O-])on1 ZINC000892993181 618382992 /nfs/dbraw/zinc/38/29/92/618382992.db2.gz KBEFURQPYCWJKL-UHFFFAOYSA-N -1 1 323.780 3.156 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](C1CC1)C1CCC1 ZINC000895289568 618588625 /nfs/dbraw/zinc/58/86/25/618588625.db2.gz YRUCNGJWOHUDLF-AWEZNQCLSA-N -1 1 308.809 3.424 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCC(F)(F)CC1 ZINC000893903545 618672464 /nfs/dbraw/zinc/67/24/64/618672464.db2.gz XHOUFPAXDNTVTI-UHFFFAOYSA-N -1 1 318.751 3.423 20 10 DGCDMM O=C(NCCCc1ccco1)NCc1cccc(Cl)c1[O-] ZINC000895881486 618844725 /nfs/dbraw/zinc/84/47/25/618844725.db2.gz ZEYIKJLIYHBYEM-UHFFFAOYSA-N -1 1 308.765 3.071 20 10 DGCDMM CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CC(F)(F)C1 ZINC000896423499 618911103 /nfs/dbraw/zinc/91/11/03/618911103.db2.gz SLPBZRRTCMYAHA-UHFFFAOYSA-N -1 1 318.751 3.280 20 10 DGCDMM Cc1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1 ZINC000152131103 620493926 /nfs/dbraw/zinc/49/39/26/620493926.db2.gz VXIPVZGQISAEOG-WEVVVXLNSA-N -1 1 314.229 3.246 20 10 DGCDMM Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922991001 621145161 /nfs/dbraw/zinc/14/51/61/621145161.db2.gz UNVJACGENDHCNT-WBVHZDCISA-N -1 1 321.779 3.323 20 10 DGCDMM COc1cc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cnc1OC ZINC000858482897 621197005 /nfs/dbraw/zinc/19/70/05/621197005.db2.gz VYPGBJOWLKRQDI-QMMMGPOBSA-N -1 1 310.300 3.256 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(C1)CCOCC2 ZINC000839141490 621340303 /nfs/dbraw/zinc/34/03/03/621340303.db2.gz QSDPXHGTRHMANO-UHFFFAOYSA-N -1 1 302.201 3.311 20 10 DGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000755412916 621571780 /nfs/dbraw/zinc/57/17/80/621571780.db2.gz QDAQJWAOEGHSSQ-UHFFFAOYSA-N -1 1 315.753 3.294 20 10 DGCDMM C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1[O-] ZINC000756797143 621665302 /nfs/dbraw/zinc/66/53/02/621665302.db2.gz OQIQPYCFPKRBSW-QMMMGPOBSA-N -1 1 320.295 3.174 20 10 DGCDMM CC(=O)NCc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757605188 621727701 /nfs/dbraw/zinc/72/77/01/621727701.db2.gz UNIMBVRGWJJAOT-SNVBAGLBSA-N -1 1 320.339 3.480 20 10 DGCDMM CCc1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000764933104 622234077 /nfs/dbraw/zinc/23/40/77/622234077.db2.gz CBXXKUJWTVZSJU-UHFFFAOYSA-N -1 1 308.179 3.119 20 10 DGCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000765732045 622284599 /nfs/dbraw/zinc/28/45/99/622284599.db2.gz OTOZMOLKEABITM-VIFPVBQESA-N -1 1 324.174 3.168 20 10 DGCDMM O=C(N[C@H]1CCc2c1cccc2Cl)c1c(F)ccc(O)c1[O-] ZINC000789963124 625588694 /nfs/dbraw/zinc/58/86/94/625588694.db2.gz IDAZQEOQHRZCQF-LBPRGKRZSA-N -1 1 321.735 3.308 20 10 DGCDMM CCC(C)(C)CCS(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000872373789 622899669 /nfs/dbraw/zinc/89/96/69/622899669.db2.gz QEOYRUWHZUHZSH-UHFFFAOYSA-N -1 1 307.362 3.238 20 10 DGCDMM Cc1nn(C)c2ncc(NCc3c([O-])ccc(Cl)c3F)cc12 ZINC000790242807 625621203 /nfs/dbraw/zinc/62/12/03/625621203.db2.gz LDZFGRAHTJIYJD-UHFFFAOYSA-N -1 1 320.755 3.387 20 10 DGCDMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(N(C)C)cc1 ZINC000775406899 623270462 /nfs/dbraw/zinc/27/04/62/623270462.db2.gz PZDKEECXJILIFP-LLVKDONJSA-N -1 1 302.349 3.088 20 10 DGCDMM Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)c(F)cc1[O-])N2 ZINC000877848598 624068212 /nfs/dbraw/zinc/06/82/12/624068212.db2.gz TYOKDPBDQIDAIB-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM CC1(C)CCC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784365323 624511491 /nfs/dbraw/zinc/51/14/91/624511491.db2.gz JYCFAEZTOFHFPD-LBPRGKRZSA-N -1 1 306.358 3.040 20 10 DGCDMM O=C(COC(=O)c1ccc2c(c1)CCC=C2)c1ccc([O-])c(O)c1 ZINC000786542916 624916683 /nfs/dbraw/zinc/91/66/83/624916683.db2.gz QVQNXYYTSBPPPE-UHFFFAOYSA-N -1 1 324.332 3.097 20 10 DGCDMM CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(F)(F)F ZINC000786972325 624968819 /nfs/dbraw/zinc/96/88/19/624968819.db2.gz CCVPORRNROFWGX-UFBFGSQYSA-N -1 1 305.296 3.170 20 10 DGCDMM Cn1c(=O)oc2c1cccc2NCc1c([O-])ccc(Cl)c1F ZINC000790983223 625729535 /nfs/dbraw/zinc/72/95/35/625729535.db2.gz OMSKRLFCTCKOLC-UHFFFAOYSA-N -1 1 322.723 3.242 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(N2CCCC2)cn1 ZINC000882908381 625854094 /nfs/dbraw/zinc/85/40/94/625854094.db2.gz PAEVYXJXCHFLGL-UHFFFAOYSA-N -1 1 305.328 3.278 20 10 DGCDMM CC[C@@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000796318284 626037965 /nfs/dbraw/zinc/03/79/65/626037965.db2.gz AHHXCGOWOHJBJS-DGCLKSJQSA-N -1 1 306.358 3.040 20 10 DGCDMM CCCCN(Cc1ccccc1O)C(=O)c1ncc(C)cc1[O-] ZINC000801549930 626409620 /nfs/dbraw/zinc/40/96/20/626409620.db2.gz HMDTUUONYHCBPI-UHFFFAOYSA-N -1 1 314.385 3.244 20 10 DGCDMM O=C1NCc2c1cccc2NCc1c([O-])ccc(Cl)c1F ZINC000808419495 626822122 /nfs/dbraw/zinc/82/21/22/626822122.db2.gz IONWYUOIODJNPC-UHFFFAOYSA-N -1 1 306.724 3.040 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNCc1noc2c1CCCC2 ZINC000809783904 626952445 /nfs/dbraw/zinc/95/24/45/626952445.db2.gz GCUUTBXTDQUGHF-UHFFFAOYSA-N -1 1 310.756 3.341 20 10 DGCDMM C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886547885 627160754 /nfs/dbraw/zinc/16/07/54/627160754.db2.gz SZDWDYZZULCIBA-RNCFNFMXSA-N -1 1 311.303 3.194 20 10 DGCDMM O=C1CCN(Cc2cccc(Cl)c2[O-])c2ccccc2N1 ZINC000811508392 627283695 /nfs/dbraw/zinc/28/36/95/627283695.db2.gz OFPCCEXXHZZDPR-UHFFFAOYSA-N -1 1 302.761 3.394 20 10 DGCDMM CC(=O)c1cc(F)cc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1[O-] ZINC000825946769 628813542 /nfs/dbraw/zinc/81/35/42/628813542.db2.gz PENAIYXPENMMQJ-UHFFFAOYSA-N -1 1 323.364 3.001 20 10 DGCDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832340309 629469243 /nfs/dbraw/zinc/46/92/43/629469243.db2.gz CLMUKTSUITXBPG-INIZCTEOSA-N -1 1 303.333 3.058 20 10 DGCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(F)c1[O-] ZINC000833486941 629611046 /nfs/dbraw/zinc/61/10/46/629611046.db2.gz VTVRWBKXZFSUAQ-UHFFFAOYSA-N -1 1 303.761 3.117 20 10 DGCDMM C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640648 631715423 /nfs/dbraw/zinc/71/54/23/631715423.db2.gz TUVUIQIOCSDIQR-TVYUQYBPSA-N -1 1 311.809 3.271 20 10 DGCDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792703549 660980450 /nfs/dbraw/zinc/98/04/50/660980450.db2.gz ZEEDYCQFOSMWDJ-UHFFFAOYSA-N -1 1 323.439 3.477 20 10 DGCDMM Cc1ccc(-c2nc(C=C3SC(=S)[N-]C3=O)co2)cc1 ZINC000255119946 655604192 /nfs/dbraw/zinc/60/41/92/655604192.db2.gz JMROUNREERKKMK-WDZFZDKYSA-N -1 1 302.380 3.139 20 10 DGCDMM CC1(CCC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000935662197 655949544 /nfs/dbraw/zinc/94/95/44/655949544.db2.gz AEIBTPPMIGBLCO-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM CC(C)c1nn(C)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000931246359 656193220 /nfs/dbraw/zinc/19/32/20/656193220.db2.gz HAALDOBPQWPCAE-UHFFFAOYSA-N -1 1 322.796 3.224 20 10 DGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([O-])cc1F ZINC000181919320 660026199 /nfs/dbraw/zinc/02/61/99/660026199.db2.gz ZHKCFUWSQJUKEM-UHFFFAOYSA-N -1 1 316.376 3.260 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(C2CC2)nn1 ZINC000930403588 661395496 /nfs/dbraw/zinc/39/54/96/661395496.db2.gz QXJKFCAVMCFRQN-UHFFFAOYSA-N -1 1 318.764 3.035 20 10 DGCDMM Cc1cc(CNC(=O)c2ccc([O-])cn2)c(C)n1-c1ccccc1 ZINC001587026605 1192363398 /nfs/dbraw/zinc/36/33/98/1192363398.db2.gz JEYOTNXZRPTKSD-UHFFFAOYSA-N -1 1 321.380 3.125 20 10 DGCDMM O=C([O-])[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C1CCCCC1 ZINC001601653961 1192935929 /nfs/dbraw/zinc/93/59/29/1192935929.db2.gz UXBKSGVMYZYDFY-CQSZACIVSA-N -1 1 311.809 3.416 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc2ccccc2c1 ZINC000200213149 1181615385 /nfs/dbraw/zinc/61/53/85/1181615385.db2.gz JSOBJOOYCMPTDY-UHFFFAOYSA-N -1 1 317.341 3.485 20 10 DGCDMM Cc1cc(C(N)=O)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC001462622551 1182976107 /nfs/dbraw/zinc/97/61/07/1182976107.db2.gz NUAAOCPUPGAOTK-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001471348767 1183557309 /nfs/dbraw/zinc/55/73/09/1183557309.db2.gz BDNCKNWUUYZAGI-XEZLXBQYSA-N -1 1 308.809 3.137 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001471348765 1183557520 /nfs/dbraw/zinc/55/75/20/1183557520.db2.gz BDNCKNWUUYZAGI-LPTSXCQYSA-N -1 1 308.809 3.137 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001472317194 1183634177 /nfs/dbraw/zinc/63/41/77/1183634177.db2.gz ZCHJYPJSDPGYMM-UONOGXRCSA-N -1 1 317.772 3.171 20 10 DGCDMM CSCc1cccnc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001472316760 1183634416 /nfs/dbraw/zinc/63/44/16/1183634416.db2.gz GIDKSVSUHRGLFR-UHFFFAOYSA-N -1 1 322.817 3.234 20 10 DGCDMM Cn1cnc(-c2ccc(NCc3cccc(Cl)c3[O-])cc2)n1 ZINC001474428704 1183920702 /nfs/dbraw/zinc/92/07/02/1183920702.db2.gz NUHCXCKLEQFMAJ-UHFFFAOYSA-N -1 1 314.776 3.453 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(Cl)cn1 ZINC001476438177 1184039326 /nfs/dbraw/zinc/03/93/26/1184039326.db2.gz HAGJITNKJAVLNU-UHFFFAOYSA-N -1 1 312.156 3.416 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC001608748146 1193302414 /nfs/dbraw/zinc/30/24/14/1193302414.db2.gz QWHCKAUYYOWEND-UHFFFAOYSA-N -1 1 305.761 3.132 20 10 DGCDMM CCc1oc(CNCc2ccc(N(C)C)cc2C)cc1C(=O)[O-] ZINC001610081694 1193375826 /nfs/dbraw/zinc/37/58/26/1193375826.db2.gz ROWRRPBRWHOXBK-UHFFFAOYSA-N -1 1 316.401 3.204 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCS[C@@H](C(F)(F)F)C1 ZINC001561008769 1189419623 /nfs/dbraw/zinc/41/96/23/1189419623.db2.gz IVAMXGSJVMXUFJ-LLVKDONJSA-N -1 1 313.291 3.150 20 10 DGCDMM C=Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001562008626 1189470242 /nfs/dbraw/zinc/47/02/42/1189470242.db2.gz VUZICRPPJPTUNG-UHFFFAOYSA-N -1 1 323.801 3.167 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC1Cc2ccccc2C1 ZINC001634049698 1194471565 /nfs/dbraw/zinc/47/15/65/1194471565.db2.gz NVVXLSNXEOKGMI-UHFFFAOYSA-N -1 1 316.788 3.012 20 10 DGCDMM O=C(NCc1c(O)cccc1F)c1ccc2ccccc2c1[O-] ZINC001638864117 1194741235 /nfs/dbraw/zinc/74/12/35/1194741235.db2.gz WACQFVQVFIRLJS-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM C[C@@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001640402355 1194811101 /nfs/dbraw/zinc/81/11/01/1194811101.db2.gz RCFBHEDLSNIANW-SNVBAGLBSA-N -1 1 323.751 3.268 20 10 DGCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC001647830421 1195256777 /nfs/dbraw/zinc/25/67/77/1195256777.db2.gz VXHYHFZUWJBJQA-SNVBAGLBSA-N -1 1 305.761 3.171 20 10 DGCDMM COc1cc(OC)c(NCc2cc(F)cc(F)c2[O-])cc1F ZINC001650707727 1195374480 /nfs/dbraw/zinc/37/44/80/1195374480.db2.gz MCDITDRMULEHSG-UHFFFAOYSA-N -1 1 313.275 3.439 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1c2ccccc2C[C@@H]1CO ZINC001652737200 1195643505 /nfs/dbraw/zinc/64/35/05/1195643505.db2.gz QBYWYDOVGATLCK-GFCCVEGCSA-N -1 1 307.752 3.108 20 10 DGCDMM CCc1nc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC001656520011 1196046689 /nfs/dbraw/zinc/04/66/89/1196046689.db2.gz GDIFMEIGYSBZDP-VIFPVBQESA-N -1 1 307.375 3.170 20 10 DGCDMM O=C1Cc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2N1 ZINC001656948889 1196086479 /nfs/dbraw/zinc/08/64/79/1196086479.db2.gz FQEWZFFTKDIVGO-UHFFFAOYSA-N -1 1 306.724 3.291 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(OCCO)cc1 ZINC001657422575 1196139973 /nfs/dbraw/zinc/13/99/73/1196139973.db2.gz SQYJHAOJSBRXGA-UHFFFAOYSA-N -1 1 311.740 3.168 20 10 DGCDMM O=C1Cc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc2N1 ZINC001657980606 1196198227 /nfs/dbraw/zinc/19/82/27/1196198227.db2.gz KUOBBSWBSFAJST-UHFFFAOYSA-N -1 1 306.724 3.291 20 10 DGCDMM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])Cc2ccccc2O1 ZINC001659338292 1196372090 /nfs/dbraw/zinc/37/20/90/1196372090.db2.gz OLDLLJCSXXZQBR-NSHDSACASA-N -1 1 305.324 3.454 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1c2ccccc2C[C@@H]1CO ZINC001665101381 1197097947 /nfs/dbraw/zinc/09/79/47/1197097947.db2.gz CTXSKZYVMZVNDG-CYBMUJFWSA-N -1 1 307.752 3.108 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnc(Cl)c1 ZINC001668106906 1197400187 /nfs/dbraw/zinc/40/01/87/1197400187.db2.gz GBGVCQHNYLQTSC-UHFFFAOYSA-N -1 1 312.156 3.416 20 10 DGCDMM O=C([O-])[C@H]1CCN(Cc2ccc(F)c(F)c2O)c2ccccc21 ZINC001594933695 954842096 /nfs/dbraw/zinc/84/20/96/954842096.db2.gz HLZZYVXDBZKVBZ-LBPRGKRZSA-N -1 1 319.307 3.249 20 10 DGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001589616120 987474889 /nfs/dbraw/zinc/47/48/89/987474889.db2.gz HAPAWRRZEWBLRP-LBPRGKRZSA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001589616120 987474894 /nfs/dbraw/zinc/47/48/94/987474894.db2.gz HAPAWRRZEWBLRP-LBPRGKRZSA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc2ccccc2c1O ZINC001591332552 992312970 /nfs/dbraw/zinc/31/29/70/992312970.db2.gz JMVIACDMWBFUAS-UHFFFAOYSA-N -1 1 301.386 3.478 20 10 DGCDMM CC(C)C[N@H+](CCC(=O)[O-])Cc1ccc2ccccc2c1[O-] ZINC001591332552 992312980 /nfs/dbraw/zinc/31/29/80/992312980.db2.gz JMVIACDMWBFUAS-UHFFFAOYSA-N -1 1 301.386 3.478 20 10 DGCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc2ccccc2c1[O-] ZINC001591332552 992312989 /nfs/dbraw/zinc/31/29/89/992312989.db2.gz JMVIACDMWBFUAS-UHFFFAOYSA-N -1 1 301.386 3.478 20 10 DGCDMM C[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198720 994174499 /nfs/dbraw/zinc/17/44/99/994174499.db2.gz UVHRBLDPVJEQPU-JGVFFNPUSA-N -1 1 310.350 3.098 20 10 DGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc2c(c1)CCC2 ZINC001183113594 1083880133 /nfs/dbraw/zinc/88/01/33/1083880133.db2.gz XMCJRAAYKRQAFJ-SNVBAGLBSA-N -1 1 315.344 3.217 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)c(C)cc1O ZINC001185824879 1084540125 /nfs/dbraw/zinc/54/01/25/1084540125.db2.gz WROKOQQSZJFUCN-UHFFFAOYSA-N -1 1 309.362 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCOc2ccccc21 ZINC001159034067 1088153010 /nfs/dbraw/zinc/15/30/10/1088153010.db2.gz QLCDZOTZUALMOM-ZDUSSCGKSA-N -1 1 317.772 3.228 20 10 DGCDMM Cc1cccc2c1ccnc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159277691 1088264999 /nfs/dbraw/zinc/26/49/99/1088264999.db2.gz VDVQEUCLEANLHJ-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM O=C(CNc1nccc2ccsc21)c1ccc([O-])c(O)c1 ZINC001159276450 1088265982 /nfs/dbraw/zinc/26/59/82/1088265982.db2.gz IQYIWQOLSCMICD-UHFFFAOYSA-N -1 1 300.339 3.002 20 10 DGCDMM O=C(CNc1nccc2c(F)cccc21)c1ccc([O-])c(O)c1 ZINC001159279053 1088268218 /nfs/dbraw/zinc/26/82/18/1088268218.db2.gz JGZFOCGYTBBDTF-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM C[C@@H]1C(=O)Nc2ccccc2CN1Cc1cc(F)c(F)cc1[O-] ZINC001207198876 1091885572 /nfs/dbraw/zinc/88/55/72/1091885572.db2.gz XIVNOUAILJXMTK-SNVBAGLBSA-N -1 1 318.323 3.013 20 10 DGCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)c([O-])c1 ZINC001150386879 1092777216 /nfs/dbraw/zinc/77/72/16/1092777216.db2.gz NDCBALZDHOIVGT-UHFFFAOYSA-N -1 1 315.344 3.046 20 10 DGCDMM Cc1oncc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001210581557 1093218250 /nfs/dbraw/zinc/21/82/50/1093218250.db2.gz VMFMEKPXQUWNLQ-UHFFFAOYSA-N -1 1 320.304 3.208 20 10 DGCDMM Cc1cnccc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216952071 1094283578 /nfs/dbraw/zinc/28/35/78/1094283578.db2.gz SGHRAPRQWVYTCQ-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC1(C(F)(F)F)CCC1 ZINC001119811410 1094291690 /nfs/dbraw/zinc/29/16/90/1094291690.db2.gz JHAJMADPCPJWCJ-UHFFFAOYSA-N -1 1 322.714 3.330 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCC(F)(F)F)cc1 ZINC000209250701 1095898820 /nfs/dbraw/zinc/89/88/20/1095898820.db2.gz PMPXKQGGSHEKPQ-WEVVVXLNSA-N -1 1 319.329 3.117 20 10 DGCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1C=CCC1 ZINC001228111536 1097052265 /nfs/dbraw/zinc/05/22/65/1097052265.db2.gz VHIRPXQYUXNSPG-ZDUSSCGKSA-N -1 1 312.321 3.132 20 10 DGCDMM CN(C)c1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231460577 1097752879 /nfs/dbraw/zinc/75/28/79/1097752879.db2.gz MLEJIIMKXPAZRR-UHFFFAOYSA-N -1 1 316.376 3.222 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@H](CF)C1 ZINC001233032307 1098208397 /nfs/dbraw/zinc/20/83/97/1098208397.db2.gz ZDNPWSHSGDGPKE-VIFPVBQESA-N -1 1 320.177 3.475 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](CCC)CC(=O)OC ZINC001233497769 1098351808 /nfs/dbraw/zinc/35/18/08/1098351808.db2.gz RKGIRPZGTUXEBO-NSHDSACASA-N -1 1 324.373 3.191 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1OCCOC1CCCC1 ZINC001233499498 1098352776 /nfs/dbraw/zinc/35/27/76/1098352776.db2.gz ZLXXTBFWPSEOKT-UHFFFAOYSA-N -1 1 308.374 3.419 20 10 DGCDMM CC(=O)[C@@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001236669056 1099734113 /nfs/dbraw/zinc/73/41/13/1099734113.db2.gz GBDLALOVRDVTSN-ZDUSSCGKSA-N -1 1 312.207 3.017 20 10 DGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190886559 1100356320 /nfs/dbraw/zinc/35/63/20/1100356320.db2.gz AYLXEMPPMJHQKC-UHFFFAOYSA-N -1 1 306.387 3.020 20 10 DGCDMM O=C(NCc1ccc2c(c1)CCC2)c1ccc(O)c([O-])c1Cl ZINC001193208989 1100717402 /nfs/dbraw/zinc/71/74/02/1100717402.db2.gz DNAZITBJRXZYFE-UHFFFAOYSA-N -1 1 317.772 3.170 20 10 DGCDMM O=C(Nc1cccc2c1COC2)c1ccc(O)c([O-])c1Cl ZINC001193229816 1100722613 /nfs/dbraw/zinc/72/26/13/1100722613.db2.gz NYXDGTCJMDSQKI-UHFFFAOYSA-N -1 1 305.717 3.034 20 10 DGCDMM O=S(=O)(Nc1ccoc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394372 1105655845 /nfs/dbraw/zinc/65/58/45/1105655845.db2.gz KRWVGJXTXDDWEQ-UHFFFAOYSA-N -1 1 308.142 3.093 20 10 DGCDMM O=S(=O)(Cc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC001259253262 1107106255 /nfs/dbraw/zinc/10/62/55/1107106255.db2.gz SBRBZSIZYJEUCE-UHFFFAOYSA-N -1 1 315.753 3.127 20 10 DGCDMM Cn1ccc2ccc(C(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001305085160 1111193021 /nfs/dbraw/zinc/19/30/21/1111193021.db2.gz RDCRAFRUTVJJRZ-UHFFFAOYSA-N -1 1 314.772 3.467 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@]2(C)C2CC2)c1[O-] ZINC001308143689 1111384295 /nfs/dbraw/zinc/38/42/95/1111384295.db2.gz VNZMLQWHVLCKFM-KRWDZBQOSA-N -1 1 323.820 3.249 20 10 DGCDMM CNC(=O)Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001308209802 1111398073 /nfs/dbraw/zinc/39/80/73/1111398073.db2.gz ZFEPETYETGIFQV-UHFFFAOYSA-N -1 1 322.767 3.085 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC001308770482 1111472268 /nfs/dbraw/zinc/47/22/68/1111472268.db2.gz XEXKTDMSWNHTJA-MRXNPFEDSA-N -1 1 323.314 3.383 20 10 DGCDMM CCn1cnnc1CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273435793 432599502 /nfs/dbraw/zinc/59/95/02/432599502.db2.gz WZGBFDDPXDOTDW-MRVPVSSYSA-N -1 1 315.204 3.161 20 10 DGCDMM CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754890 288634409 /nfs/dbraw/zinc/63/44/09/288634409.db2.gz DDANUTCSZLZXBW-CABZTGNLSA-N -1 1 322.359 3.010 20 10 DGCDMM CC(C)[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277558615 432860324 /nfs/dbraw/zinc/86/03/24/432860324.db2.gz PCRLBIQHGJKROC-SNVBAGLBSA-N -1 1 314.223 3.453 20 10 DGCDMM O=C(N[C@@H]1CCCc2sccc21)c1c(F)ccc(O)c1[O-] ZINC000296432731 432907291 /nfs/dbraw/zinc/90/72/91/432907291.db2.gz YOYVTNYXVHVPKV-SNVBAGLBSA-N -1 1 307.346 3.106 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1nnc(C2CC2)o1 ZINC000181512265 526323828 /nfs/dbraw/zinc/32/38/28/526323828.db2.gz FDFLUNIFGLKYJP-UHFFFAOYSA-N -1 1 310.151 3.027 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOCC23CCC3)c1[O-] ZINC000135546595 527206465 /nfs/dbraw/zinc/20/64/65/527206465.db2.gz XJJRVCMSHFRCGQ-UHFFFAOYSA-N -1 1 309.793 3.003 20 10 DGCDMM COc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000734018684 574648143 /nfs/dbraw/zinc/64/81/43/574648143.db2.gz CAFSOLXNXUSZGH-UHFFFAOYSA-N -1 1 323.348 3.190 20 10 DGCDMM O=C([O-])C[N@H+](CCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739793600 574912303 /nfs/dbraw/zinc/91/23/03/574912303.db2.gz HVVKPKOSOANVQQ-UHFFFAOYSA-N -1 1 319.788 3.175 20 10 DGCDMM O=C([O-])C[N@@H+](CCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739793600 574912306 /nfs/dbraw/zinc/91/23/06/574912306.db2.gz HVVKPKOSOANVQQ-UHFFFAOYSA-N -1 1 319.788 3.175 20 10 DGCDMM CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826906 575754116 /nfs/dbraw/zinc/75/41/16/575754116.db2.gz UBWXMYMEQWXKHN-HOTGVXAUSA-N -1 1 323.408 3.369 20 10 DGCDMM CC[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000916617642 620639322 /nfs/dbraw/zinc/63/93/22/620639322.db2.gz QXOODBUNMKFCBR-CQSZACIVSA-N -1 1 314.337 3.018 20 10 DGCDMM CCn1c(C)cc(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890758086 617655893 /nfs/dbraw/zinc/65/58/93/617655893.db2.gz RAELKCOMTDZSHH-UHFFFAOYSA-N -1 1 306.793 3.414 20 10 DGCDMM CC[C@@H]1C[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759725 617656332 /nfs/dbraw/zinc/65/63/32/617656332.db2.gz PHEUGXHCZYJTPI-WCQYABFASA-N -1 1 311.809 3.257 20 10 DGCDMM CC[C@H]1C[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759723 617656352 /nfs/dbraw/zinc/65/63/52/617656352.db2.gz PHEUGXHCZYJTPI-AAEUAGOBSA-N -1 1 311.809 3.257 20 10 DGCDMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759454 617656355 /nfs/dbraw/zinc/65/63/55/617656355.db2.gz CBXJDIDWGDUWQR-SECBINFHSA-N -1 1 321.808 3.196 20 10 DGCDMM CCOc1nccc(C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759681 617656393 /nfs/dbraw/zinc/65/63/93/617656393.db2.gz OOZRMAUFXQRZOD-UHFFFAOYSA-N -1 1 320.776 3.078 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCC(F)(F)C1 ZINC000893706539 618646532 /nfs/dbraw/zinc/64/65/32/618646532.db2.gz GUAAUYGSNWMDJS-SECBINFHSA-N -1 1 304.724 3.033 20 10 DGCDMM COCc1c(C)cc(C)c(C=C2SC(=S)[N-]C2=O)c1C ZINC000901415840 619498084 /nfs/dbraw/zinc/49/80/84/619498084.db2.gz ALKBKZFJGAQYMY-AWNIVKPZSA-N -1 1 307.440 3.247 20 10 DGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)csc1C ZINC000901916438 619560712 /nfs/dbraw/zinc/56/07/12/619560712.db2.gz KOJGIXUBTHKQEA-UHFFFAOYSA-N -1 1 311.428 3.434 20 10 DGCDMM C[N@@H+](Cc1nccn1C(F)F)Cc1c(O)ccc2ccncc21 ZINC000913062051 620422084 /nfs/dbraw/zinc/42/20/84/620422084.db2.gz GGLFIDMDKQDCHF-UHFFFAOYSA-N -1 1 318.327 3.164 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2Cc3ccncc3C2)c1[O-] ZINC000857875820 621126455 /nfs/dbraw/zinc/12/64/55/621126455.db2.gz CXTBQMAIBNFLKB-UHFFFAOYSA-N -1 1 302.761 3.159 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc2ccccc2s1 ZINC000758433280 621781832 /nfs/dbraw/zinc/78/18/32/621781832.db2.gz GXROUZDWTSUCOI-PTNGSMBKSA-N -1 1 320.373 3.363 20 10 DGCDMM Cc1cccc2c1N[C@@H](c1cc(Cl)cc(F)c1[O-])NC2=O ZINC000768266301 622448100 /nfs/dbraw/zinc/44/81/00/622448100.db2.gz OZSJMLZIFATTLP-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM CCCOc1ccc(CNCc2cc(C(=O)[O-])co2)cc1C ZINC000871877587 622726193 /nfs/dbraw/zinc/72/61/93/622726193.db2.gz OPKDORDJKQSSIN-UHFFFAOYSA-N -1 1 303.358 3.365 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(C)C)C2)c1[O-] ZINC000778242046 623631453 /nfs/dbraw/zinc/63/14/53/623631453.db2.gz QTGQPXXEOGHXOB-HNNXBMFYSA-N -1 1 311.809 3.105 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1CCN2CCOc3cccc1c32 ZINC000780781060 623983372 /nfs/dbraw/zinc/98/33/72/623983372.db2.gz GDPVMGVQQDZCLX-UHFFFAOYSA-N -1 1 316.788 3.265 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000781908687 624170346 /nfs/dbraw/zinc/17/03/46/624170346.db2.gz KXKKEUVQFXMZSF-QWRGUYRKSA-N -1 1 314.223 3.072 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cn[nH]c2)c1[O-] ZINC000878877996 624378038 /nfs/dbraw/zinc/37/80/38/624378038.db2.gz NFJLAOOVKARHGI-OAHLLOKOSA-N -1 1 319.792 3.308 20 10 DGCDMM CC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCCCC1 ZINC000784630101 624562680 /nfs/dbraw/zinc/56/26/80/624562680.db2.gz PAWJUKSAUNXCNQ-UHFFFAOYSA-N -1 1 306.358 3.184 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1[O-] ZINC000791560427 625824786 /nfs/dbraw/zinc/82/47/86/625824786.db2.gz VYBPPLHZWBLOOR-QFYYESIMSA-N -1 1 323.820 3.248 20 10 DGCDMM Cc1cc(Br)c([O-])c(CNC2(C(F)F)CC2)c1 ZINC000800310733 626350442 /nfs/dbraw/zinc/35/04/42/626350442.db2.gz JHEXPSWVYFXENW-UHFFFAOYSA-N -1 1 306.150 3.350 20 10 DGCDMM Cc1coc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000803213973 626597840 /nfs/dbraw/zinc/59/78/40/626597840.db2.gz JRQSWDSWQOFWEC-UHFFFAOYSA-N -1 1 324.174 3.295 20 10 DGCDMM O=C1OCc2c1cccc2NCc1cc(Cl)cc(F)c1[O-] ZINC000809791128 626954308 /nfs/dbraw/zinc/95/43/08/626954308.db2.gz VAMXJSYCURZZCA-UHFFFAOYSA-N -1 1 307.708 3.467 20 10 DGCDMM Cc1ccc(-c2n[nH]cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000006607483 627566409 /nfs/dbraw/zinc/56/64/09/627566409.db2.gz OZDBJHSJBUENRB-IZZDOVSWSA-N -1 1 301.396 3.285 20 10 DGCDMM Cc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)ncn1 ZINC000815599547 627689614 /nfs/dbraw/zinc/68/96/14/627689614.db2.gz VRWKQVMJXBJVLB-JTQLQIEISA-N -1 1 311.307 3.360 20 10 DGCDMM CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1C ZINC000816522206 627802016 /nfs/dbraw/zinc/80/20/16/627802016.db2.gz OPLLVRPOIGZLLN-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](CO)c2ccccc21 ZINC000816637304 627817425 /nfs/dbraw/zinc/81/74/25/627817425.db2.gz ZGKZIMIZTFUMRJ-SNVBAGLBSA-N -1 1 307.752 3.281 20 10 DGCDMM C[C@@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000830418655 629267505 /nfs/dbraw/zinc/26/75/05/629267505.db2.gz JLMONFQWTJSABE-ZETCQYMHSA-N -1 1 309.259 3.088 20 10 DGCDMM CCN(CC)c1ccc(CNCc2ccoc2C(=O)[O-])cc1F ZINC000833654204 629636238 /nfs/dbraw/zinc/63/62/38/629636238.db2.gz GUWFSIUKHPIELI-UHFFFAOYSA-N -1 1 320.364 3.253 20 10 DGCDMM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cccc(Cl)c1[O-])N2 ZINC000102417651 630103781 /nfs/dbraw/zinc/10/37/81/630103781.db2.gz BXKYXOYZBFXJMQ-HNNXBMFYSA-N -1 1 318.760 3.251 20 10 DGCDMM CC(C)(C)OC(=O)N1CCCCN1Cc1cccc(F)c1[O-] ZINC000846069818 631209127 /nfs/dbraw/zinc/20/91/27/631209127.db2.gz NUJRRJFFRUYJLF-UHFFFAOYSA-N -1 1 310.369 3.279 20 10 DGCDMM CC(=O)c1cc(F)cc(CN2CCC[C@@H](OC3CCC3)C2)c1O ZINC000847038626 631387064 /nfs/dbraw/zinc/38/70/64/631387064.db2.gz USWMAJBTYJKHOP-MRXNPFEDSA-N -1 1 321.392 3.267 20 10 DGCDMM C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352281 632122863 /nfs/dbraw/zinc/12/28/63/632122863.db2.gz QYXZYWBWEHEYAH-RDDDGLTNSA-N -1 1 313.188 3.086 20 10 DGCDMM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nccn1C ZINC000850409630 632143361 /nfs/dbraw/zinc/14/33/61/632143361.db2.gz DUXDSXXAWSRALV-QMMMGPOBSA-N -1 1 300.189 3.283 20 10 DGCDMM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nccn1C ZINC000850409629 632143425 /nfs/dbraw/zinc/14/34/25/632143425.db2.gz DUXDSXXAWSRALV-MRVPVSSYSA-N -1 1 300.189 3.283 20 10 DGCDMM CC[C@H]1CC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000793823987 661059144 /nfs/dbraw/zinc/05/91/44/661059144.db2.gz QXGOICCFOBHSTH-AWEZNQCLSA-N -1 1 311.381 3.313 20 10 DGCDMM CC[C@H]1CC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000793823987 661059146 /nfs/dbraw/zinc/05/91/46/661059146.db2.gz QXGOICCFOBHSTH-AWEZNQCLSA-N -1 1 311.381 3.313 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ncc(-c2ccccc2)s1 ZINC000255505381 655775368 /nfs/dbraw/zinc/77/53/68/655775368.db2.gz UTBHPAJSXMIVII-RMKNXTFCSA-N -1 1 304.421 3.299 20 10 DGCDMM CCc1nnc(NCc2cccc(Br)c2[O-])s1 ZINC000181473859 656099280 /nfs/dbraw/zinc/09/92/80/656099280.db2.gz AKCGHPFRJVHZOY-UHFFFAOYSA-N -1 1 314.208 3.181 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ncn(-c2ccccc2)n1 ZINC000195046694 656208134 /nfs/dbraw/zinc/20/81/34/656208134.db2.gz XKGQDJRWKNKACX-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)ccc1Br ZINC000173956282 659406308 /nfs/dbraw/zinc/40/63/08/659406308.db2.gz VEHAUACVJNUMNZ-WEVVVXLNSA-N -1 1 314.229 3.246 20 10 DGCDMM C[C@]1(C(=O)NCc2cccc(Br)c2[O-])C=CCC1 ZINC000935662435 661800495 /nfs/dbraw/zinc/80/04/95/661800495.db2.gz FKVCYHQLMCTCQK-AWEZNQCLSA-N -1 1 310.191 3.127 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCC(F)(F)F)cc1 ZINC000049391055 661901475 /nfs/dbraw/zinc/90/14/75/661901475.db2.gz PMPXKQGGSHEKPQ-UITAMQMPSA-N -1 1 319.329 3.117 20 10 DGCDMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000397128400 685228720 /nfs/dbraw/zinc/22/87/20/685228720.db2.gz XIFKUOJOSMANDN-BDAKNGLRSA-N -1 1 318.200 3.384 20 10 DGCDMM CCn1nc(C(C)C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001343498595 1179286075 /nfs/dbraw/zinc/28/60/75/1179286075.db2.gz RIXLFJGIINBRHN-UHFFFAOYSA-N -1 1 321.808 3.315 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1c(F)cccc1F ZINC001344042968 1179368442 /nfs/dbraw/zinc/36/84/42/1179368442.db2.gz SLYXZBCXZKXMIK-UHFFFAOYSA-N -1 1 309.659 3.407 20 10 DGCDMM O=C([O-])c1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CC2 ZINC001602421992 1192978750 /nfs/dbraw/zinc/97/87/50/1192978750.db2.gz QIBSCGGGCDGFMD-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001602421992 1192978754 /nfs/dbraw/zinc/97/87/54/1192978754.db2.gz QIBSCGGGCDGFMD-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001602421992 1192978759 /nfs/dbraw/zinc/97/87/59/1192978759.db2.gz QIBSCGGGCDGFMD-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM CC(C)C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(=O)[O-] ZINC001603776149 1193031013 /nfs/dbraw/zinc/03/10/13/1193031013.db2.gz XABVCKYAYYYRRX-OAHLLOKOSA-N -1 1 301.386 3.382 20 10 DGCDMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1c(F)cncc1F ZINC001604322982 1193064775 /nfs/dbraw/zinc/06/47/75/1193064775.db2.gz STGCDZMNSBTXAE-DTWKUNHWSA-N -1 1 322.311 3.175 20 10 DGCDMM O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c([O-])cc1Cl ZINC001456603883 1182425021 /nfs/dbraw/zinc/42/50/21/1182425021.db2.gz FRMYWGPMLJWFHP-DUXPYHPUSA-N -1 1 323.707 3.248 20 10 DGCDMM O=C(CCC(=O)c1cccs1)NCc1cccc(Cl)c1[O-] ZINC001606859975 1193206324 /nfs/dbraw/zinc/20/63/24/1193206324.db2.gz CPWGNOAVTBKWTN-UHFFFAOYSA-N -1 1 323.801 3.386 20 10 DGCDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1Cc2cccc(O)c2C1 ZINC001471355711 1183558719 /nfs/dbraw/zinc/55/87/19/1183558719.db2.gz RXZLMXIXJVTTTD-UHFFFAOYSA-N -1 1 323.270 3.273 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1Cc2cccc(Cl)c2C1 ZINC001472628102 1183658157 /nfs/dbraw/zinc/65/81/57/1183658157.db2.gz CQNGHKVXSWAYLF-UHFFFAOYSA-N -1 1 307.708 3.046 20 10 DGCDMM Cc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001477376624 1184086714 /nfs/dbraw/zinc/08/67/14/1184086714.db2.gz CUUNMHNEXFZHNH-UHFFFAOYSA-N -1 1 304.777 3.353 20 10 DGCDMM O=C([O-])CC1(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC001608677654 1193299059 /nfs/dbraw/zinc/29/90/59/1193299059.db2.gz FPYWPOHLHJNKLC-UHFFFAOYSA-N -1 1 303.402 3.392 20 10 DGCDMM O=C([O-])CC1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC001608677654 1193299060 /nfs/dbraw/zinc/29/90/60/1193299060.db2.gz FPYWPOHLHJNKLC-UHFFFAOYSA-N -1 1 303.402 3.392 20 10 DGCDMM Cc1cc(Cl)cc(CN[C@H](C(=O)[O-])c2cccs2)c1O ZINC001610462637 1193390689 /nfs/dbraw/zinc/39/06/89/1193390689.db2.gz PKLDEWSPAUAAGR-LBPRGKRZSA-N -1 1 311.790 3.331 20 10 DGCDMM Cc1cc(C)c(CNC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001521210035 1187004235 /nfs/dbraw/zinc/00/42/35/1187004235.db2.gz UWXBDQZEEGKFLZ-UHFFFAOYSA-N -1 1 319.792 3.057 20 10 DGCDMM CCc1nc([C@@H]2CCCCN2Cc2cc(F)c(F)cc2[O-])no1 ZINC001621185483 1193814297 /nfs/dbraw/zinc/81/42/97/1193814297.db2.gz GWVKKZONAABWKK-ZDUSSCGKSA-N -1 1 323.343 3.343 20 10 DGCDMM CCN(CC)c1ccc(CNC(=O)c2ccc([O-])cc2F)cc1 ZINC001630469827 1194287754 /nfs/dbraw/zinc/28/77/54/1194287754.db2.gz MKYDVZOPVLMDRX-UHFFFAOYSA-N -1 1 316.376 3.308 20 10 DGCDMM NC(=O)N=Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001636759389 1194632157 /nfs/dbraw/zinc/63/21/57/1194632157.db2.gz SCHAUABASPHHKK-UHFFFAOYSA-N -1 1 318.720 3.460 20 10 DGCDMM C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccccc1O ZINC001643738605 1195050355 /nfs/dbraw/zinc/05/03/55/1195050355.db2.gz IXOWPQMACWIBBI-LLVKDONJSA-N -1 1 308.337 3.137 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc([N+](=O)[O-])c1 ZINC001647826651 1195256406 /nfs/dbraw/zinc/25/64/06/1195256406.db2.gz DEGZYKSBIBSACQ-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM COc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC001647830256 1195257317 /nfs/dbraw/zinc/25/73/17/1195257317.db2.gz PGXNJCQPJRPOIM-UHFFFAOYSA-N -1 1 305.761 3.293 20 10 DGCDMM COc1ccc(F)cc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001647830415 1195257326 /nfs/dbraw/zinc/25/73/26/1195257326.db2.gz VWKFIZYCNQUNAK-UHFFFAOYSA-N -1 1 323.751 3.052 20 10 DGCDMM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001648606091 1195312809 /nfs/dbraw/zinc/31/28/09/1195312809.db2.gz HQKMAFGXRDGFMY-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM [O-]c1cc(Cl)ccc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC001652731656 1195642943 /nfs/dbraw/zinc/64/29/43/1195642943.db2.gz OARVIPYCEGUJKJ-GWCFXTLKSA-N -1 1 323.742 3.181 20 10 DGCDMM Cc1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(O)c1C ZINC001653567378 1195735382 /nfs/dbraw/zinc/73/53/82/1195735382.db2.gz WVUZPSAPYBNPLE-UHFFFAOYSA-N -1 1 305.761 3.298 20 10 DGCDMM Cc1ccc(CCCNC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC001654126421 1195777544 /nfs/dbraw/zinc/77/75/44/1195777544.db2.gz KQRBCMIWAORWBO-UHFFFAOYSA-N -1 1 317.360 3.216 20 10 DGCDMM CN(C)C(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001655827054 1195967910 /nfs/dbraw/zinc/96/79/10/1195967910.db2.gz RRTMWIXZKLNNLW-UHFFFAOYSA-N -1 1 322.767 3.499 20 10 DGCDMM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1nnc2ccccn21 ZINC001656703540 1196063670 /nfs/dbraw/zinc/06/36/70/1196063670.db2.gz ZLWKEYMVUCERND-SECBINFHSA-N -1 1 320.755 3.078 20 10 DGCDMM Cc1cccc(F)c1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001669535738 1197461474 /nfs/dbraw/zinc/46/14/74/1197461474.db2.gz FSMQBFWYYLDQEV-UHFFFAOYSA-N -1 1 322.767 3.493 20 10 DGCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cncc(F)c1 ZINC001681884411 1199095162 /nfs/dbraw/zinc/09/51/62/1199095162.db2.gz OTTPMHUFMSJJRQ-VIFPVBQESA-N -1 1 323.755 3.140 20 10 DGCDMM O=C([O-])[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001594842245 954089423 /nfs/dbraw/zinc/08/94/23/954089423.db2.gz BGLYTVNAYOAPQC-CQSZACIVSA-N -1 1 309.724 3.100 20 10 DGCDMM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001603609387 973875282 /nfs/dbraw/zinc/87/52/82/973875282.db2.gz JJDMAIABLHLDLR-INIZCTEOSA-N -1 1 311.809 3.431 20 10 DGCDMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001603609387 973875285 /nfs/dbraw/zinc/87/52/85/973875285.db2.gz JJDMAIABLHLDLR-INIZCTEOSA-N -1 1 311.809 3.431 20 10 DGCDMM C[C@](C[NH2+]Cc1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592710870 979199180 /nfs/dbraw/zinc/19/91/80/979199180.db2.gz YFFYIQUFZVZSTP-QGZVFWFLSA-N -1 1 319.788 3.178 20 10 DGCDMM C[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1F ZINC001594422727 999575301 /nfs/dbraw/zinc/57/53/01/999575301.db2.gz IQVCOBSOOIDZHT-HZMBPMFUSA-N -1 1 322.355 3.196 20 10 DGCDMM CCOC(=O)CN(CC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237084572 1099962391 /nfs/dbraw/zinc/96/23/91/1099962391.db2.gz KQAPMDJDACVGAY-UHFFFAOYSA-N -1 1 306.189 3.084 20 10 DGCDMM CCCOc1ccc(C)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170321199 1082344825 /nfs/dbraw/zinc/34/48/25/1082344825.db2.gz WUGIXRJCVUVCMR-UHFFFAOYSA-N -1 1 315.369 3.490 20 10 DGCDMM CCn1ccc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170320466 1082345107 /nfs/dbraw/zinc/34/51/07/1082345107.db2.gz BRHLBNCKIFCNHF-UHFFFAOYSA-N -1 1 310.353 3.367 20 10 DGCDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(N(C)C)c1 ZINC001185836750 1084536149 /nfs/dbraw/zinc/53/61/49/1084536149.db2.gz WJAZXJOGXXIJGF-UHFFFAOYSA-N -1 1 308.378 3.001 20 10 DGCDMM Cc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001159033165 1088152690 /nfs/dbraw/zinc/15/26/90/1088152690.db2.gz CMQWCJZGVGCXBZ-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM Cc1cccnc1/C=C\C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041312 1088156080 /nfs/dbraw/zinc/15/60/80/1088156080.db2.gz HSNUUCBPMARBFF-FPLPWBNLSA-N -1 1 302.761 3.079 20 10 DGCDMM O=C(CNc1ncc(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC001159273153 1088266158 /nfs/dbraw/zinc/26/61/58/1088266158.db2.gz SVKRUFPEHIJETC-UHFFFAOYSA-N -1 1 313.140 3.094 20 10 DGCDMM O=C(CNc1cc2ccc(F)cc2cn1)c1ccc([O-])c(O)c1 ZINC001159280351 1088267274 /nfs/dbraw/zinc/26/72/74/1088267274.db2.gz MHQHEVONSZYHOE-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM Cc1ccccc1C1=CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC001161056122 1089093769 /nfs/dbraw/zinc/09/37/69/1089093769.db2.gz HMAFYRRFMMQFJA-UHFFFAOYSA-N -1 1 313.328 3.085 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCc2cccc(Cl)c2C1 ZINC001161449491 1089250706 /nfs/dbraw/zinc/25/07/06/1089250706.db2.gz XZJABCNIVOYVQH-UHFFFAOYSA-N -1 1 321.735 3.089 20 10 DGCDMM COc1cc2c(cc1OC)CN(Cc1c([O-])cccc1F)C2 ZINC001137841662 1091225962 /nfs/dbraw/zinc/22/59/62/1091225962.db2.gz ORNYBVZNMWVWLG-UHFFFAOYSA-N -1 1 303.333 3.064 20 10 DGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001139126577 1091457722 /nfs/dbraw/zinc/45/77/22/1091457722.db2.gz LGUQNNQHFJTSOQ-WMLDXEAASA-N -1 1 323.339 3.079 20 10 DGCDMM [O-]c1cccc(Cl)c1CN1[C@@H](CO)CCC[C@H]1C(F)(F)F ZINC001140337786 1091832488 /nfs/dbraw/zinc/83/24/88/1091832488.db2.gz DYUYTJRSIDYQQW-RNCFNFMXSA-N -1 1 323.742 3.323 20 10 DGCDMM [O-]c1cccc(Cl)c1CN1[C@@H](C(F)(F)F)CCC[C@H]1CO ZINC001140337787 1091833213 /nfs/dbraw/zinc/83/32/13/1091833213.db2.gz DYUYTJRSIDYQQW-TVQRCGJNSA-N -1 1 323.742 3.323 20 10 DGCDMM [O-]c1cc(F)cc(F)c1CN1CCOC[C@H]1C1CCCCC1 ZINC001140585302 1091921215 /nfs/dbraw/zinc/92/12/15/1091921215.db2.gz DOKOTBHCRNDULM-INIZCTEOSA-N -1 1 311.372 3.452 20 10 DGCDMM COc1cccc([O-])c1C(=O)Nc1cccc(N2CCCC2)c1 ZINC001141903650 1092357874 /nfs/dbraw/zinc/35/78/74/1092357874.db2.gz PBDXUJWAESJMNL-UHFFFAOYSA-N -1 1 312.369 3.253 20 10 DGCDMM COc1ccccc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001222089809 1095429178 /nfs/dbraw/zinc/42/91/78/1095429178.db2.gz LAQXDPXUMSNALQ-UHFFFAOYSA-N -1 1 320.776 3.054 20 10 DGCDMM O=C([O-])c1ccc(O)c(CN2CCc3c(Cl)cccc3C2)c1 ZINC001231565279 1097779986 /nfs/dbraw/zinc/77/99/86/1097779986.db2.gz CTKVUUNSXZWRIQ-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001231565607 1097780331 /nfs/dbraw/zinc/78/03/31/1097780331.db2.gz IDOUGZUYQXFBFS-OAHLLOKOSA-N -1 1 303.402 3.493 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCOC[C@H]1Cc1ccccc1 ZINC001233335984 1098291928 /nfs/dbraw/zinc/29/19/28/1098291928.db2.gz TZGHIBWMQQSTSH-CQSZACIVSA-N -1 1 319.351 3.114 20 10 DGCDMM C[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233415801 1098322282 /nfs/dbraw/zinc/32/22/82/1098322282.db2.gz ITCJEFUFGWXWAO-SNVBAGLBSA-N -1 1 301.308 3.212 20 10 DGCDMM [O-]c1c(CN2CCc3ccncc3C2)cccc1C(F)(F)F ZINC001233418348 1098326102 /nfs/dbraw/zinc/32/61/02/1098326102.db2.gz CNJHDLSSLTZQJY-UHFFFAOYSA-N -1 1 308.303 3.364 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1=C(C)[C@@H](CC)OC1=O ZINC001233497828 1098351734 /nfs/dbraw/zinc/35/17/34/1098351734.db2.gz RUIJCIVLJPFXTG-CQSZACIVSA-N -1 1 320.341 3.069 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OCc1ccc(OC(C)C)nc1 ZINC001234473901 1098564297 /nfs/dbraw/zinc/56/42/97/1098564297.db2.gz LVTVSLSRBUGTGQ-UHFFFAOYSA-N -1 1 317.341 3.062 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)COc1ccccc1 ZINC001234473597 1098564561 /nfs/dbraw/zinc/56/45/61/1098564561.db2.gz IPGINFYTOYOIHK-LLVKDONJSA-N -1 1 302.326 3.147 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOc2ccccc21 ZINC001234474722 1098564711 /nfs/dbraw/zinc/56/47/11/1098564711.db2.gz WNXMXNNBKNZKDV-INIZCTEOSA-N -1 1 300.310 3.203 20 10 DGCDMM Cc1cc(Br)c(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001236662887 1099730254 /nfs/dbraw/zinc/73/02/54/1099730254.db2.gz IZXQRNPSCMDQET-TXEJJXNPSA-N -1 1 324.218 3.159 20 10 DGCDMM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1F ZINC001236794842 1099789909 /nfs/dbraw/zinc/78/99/09/1099789909.db2.gz VQXRMAFFOMUZAQ-LLVKDONJSA-N -1 1 306.164 3.202 20 10 DGCDMM C[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)[C@@H]1CO ZINC001236794145 1099787480 /nfs/dbraw/zinc/78/74/80/1099787480.db2.gz QEEATGNXDMPRRV-TVQRCGJNSA-N -1 1 304.217 3.292 20 10 DGCDMM C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236794258 1099789043 /nfs/dbraw/zinc/78/90/43/1099789043.db2.gz QZBLKAITBVGVGR-ZJUUUORDSA-N -1 1 304.217 3.292 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCOC[C@@H]1C1CC1 ZINC001236800578 1099793389 /nfs/dbraw/zinc/79/33/89/1099793389.db2.gz WHIPNUZQCZQGKU-CYBMUJFWSA-N -1 1 302.201 3.310 20 10 DGCDMM COc1ccc(CN2CC3(C2)C[C@@H](F)CS3)c([O-])c1Cl ZINC001236805605 1099799862 /nfs/dbraw/zinc/79/98/62/1099799862.db2.gz BZYNACMGKYYHQP-SNVBAGLBSA-N -1 1 317.813 3.084 20 10 DGCDMM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1F ZINC001237078400 1099957921 /nfs/dbraw/zinc/95/79/21/1099957921.db2.gz RRWKSLUIBZEDEN-SNVBAGLBSA-N -1 1 306.164 3.202 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCOCC12CCC2 ZINC001237084858 1099961451 /nfs/dbraw/zinc/96/14/51/1099961451.db2.gz PDOWUKLWKNVOQM-UHFFFAOYSA-N -1 1 302.201 3.454 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(Cc2ccco2)CC1 ZINC001237123277 1099981269 /nfs/dbraw/zinc/98/12/69/1099981269.db2.gz BMRNFCVJOIMGIV-UHFFFAOYSA-N -1 1 324.783 3.096 20 10 DGCDMM CCN(CC(=O)OC(C)(C)C)Cc1c([O-])ccc(F)c1Cl ZINC001237126692 1099984159 /nfs/dbraw/zinc/98/41/59/1099984159.db2.gz PBCIVFNLMXTYGF-UHFFFAOYSA-N -1 1 317.788 3.348 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237124497 1099984939 /nfs/dbraw/zinc/98/49/39/1099984939.db2.gz MOWHFNROFHXRGJ-LBPRGKRZSA-N -1 1 322.767 3.233 20 10 DGCDMM Cc1nc2c(cccc2NC(=O)c2ccc(O)c([O-])c2Cl)o1 ZINC001193232366 1100719494 /nfs/dbraw/zinc/71/94/94/1100719494.db2.gz IRKANGQYIHDKMD-UHFFFAOYSA-N -1 1 318.716 3.453 20 10 DGCDMM O=C(NCc1cccc2cc[nH]c21)c1ccc(O)c([O-])c1Cl ZINC001193246848 1100720692 /nfs/dbraw/zinc/72/06/92/1100720692.db2.gz CVPNVPDYTDRCIH-UHFFFAOYSA-N -1 1 316.744 3.163 20 10 DGCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])ccc1C(=O)N(C)C ZINC001202723866 1104142259 /nfs/dbraw/zinc/14/22/59/1104142259.db2.gz NRHDIUBLVRRSGM-UHFFFAOYSA-N -1 1 320.339 3.293 20 10 DGCDMM COc1cccc(-c2nnc(-c3ccc(O)c([O-])c3Cl)o2)c1 ZINC001253356076 1105927142 /nfs/dbraw/zinc/92/71/42/1105927142.db2.gz DENSBQMKGHZGNR-UHFFFAOYSA-N -1 1 318.716 3.477 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(F)c(Cl)c1 ZINC001254942039 1106157704 /nfs/dbraw/zinc/15/77/04/1106157704.db2.gz VUHXGETVKNSREZ-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM CC(=O)Nc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])nc1 ZINC001321037572 1107230287 /nfs/dbraw/zinc/23/02/87/1107230287.db2.gz NXWZVMYVCASLCP-MRVPVSSYSA-N -1 1 307.300 3.197 20 10 DGCDMM CC(=O)c1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)s1 ZINC001261140556 1107351403 /nfs/dbraw/zinc/35/14/03/1107351403.db2.gz WWPSRGHTPJQJOT-UHFFFAOYSA-N -1 1 321.745 3.393 20 10 DGCDMM C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccccc1O ZINC001302537943 1111117341 /nfs/dbraw/zinc/11/73/41/1111117341.db2.gz BBPFPMXDYGHPJQ-NSHDSACASA-N -1 1 323.348 3.448 20 10 DGCDMM Cc1ccc([C@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001306607585 1111234332 /nfs/dbraw/zinc/23/43/32/1111234332.db2.gz BADIWTCBAYBOAE-LLVKDONJSA-N -1 1 303.333 3.079 20 10 DGCDMM Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001308314902 1111415727 /nfs/dbraw/zinc/41/57/27/1111415727.db2.gz ISFXQMOVRHJYSH-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1[O-])c1nncn1C ZINC000273568649 130138383 /nfs/dbraw/zinc/13/83/83/130138383.db2.gz KDSLJHUWDRDUCR-HTQZYQBOSA-N -1 1 315.204 3.239 20 10 DGCDMM [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289220299 131367104 /nfs/dbraw/zinc/36/71/04/131367104.db2.gz CLNQQGHMJJMSLD-CYBMUJFWSA-N -1 1 323.742 3.325 20 10 DGCDMM CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754925 432683348 /nfs/dbraw/zinc/68/33/48/432683348.db2.gz DDANUTCSZLZXBW-SKDRFNHKSA-N -1 1 322.359 3.010 20 10 DGCDMM CC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277421408 432847881 /nfs/dbraw/zinc/84/78/81/432847881.db2.gz LEPKPRUOCFQFQE-UHFFFAOYSA-N -1 1 315.211 3.000 20 10 DGCDMM O=C(CC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000277458018 432850975 /nfs/dbraw/zinc/85/09/75/432850975.db2.gz GRWUDYXGIIPUHX-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM COCc1nc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000289911012 432978796 /nfs/dbraw/zinc/97/87/96/432978796.db2.gz UJAPVNRXZLDMLD-MRVPVSSYSA-N -1 1 314.357 3.124 20 10 DGCDMM [O-]c1ccc(Br)cc1C[NH+]1CCC(CF)CC1 ZINC000295039761 434163514 /nfs/dbraw/zinc/16/35/14/434163514.db2.gz MMUUUJSJDSIQSS-UHFFFAOYSA-N -1 1 302.187 3.336 20 10 DGCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)(F)F ZINC000295232200 434268084 /nfs/dbraw/zinc/26/80/84/434268084.db2.gz CYDOUJJDNNAOPC-SSDOTTSWSA-N -1 1 322.149 3.062 20 10 DGCDMM CC[C@H](NCc1nncn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287285990 535923185 /nfs/dbraw/zinc/92/31/85/535923185.db2.gz BTEHWCJTONNGJJ-NSHDSACASA-N -1 1 315.204 3.068 20 10 DGCDMM COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610909 536877805 /nfs/dbraw/zinc/87/78/05/536877805.db2.gz VTVFBHRIDKKGAY-FZMZJTMJSA-N -1 1 320.345 3.240 20 10 DGCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000729277586 575231544 /nfs/dbraw/zinc/23/15/44/575231544.db2.gz BRNYGVHXHISBPE-SECBINFHSA-N -1 1 321.760 3.251 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1csc2ccccc12 ZINC000728700228 576195750 /nfs/dbraw/zinc/19/57/50/576195750.db2.gz ZPONXTGJQWELRJ-GDNBJRDFSA-N -1 1 320.373 3.363 20 10 DGCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000916590773 620637381 /nfs/dbraw/zinc/63/73/81/620637381.db2.gz NVMFZHRILGMIHG-GFCCVEGCSA-N -1 1 314.337 3.018 20 10 DGCDMM O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000315901362 604465168 /nfs/dbraw/zinc/46/51/68/604465168.db2.gz NIACTNSDRCKMHC-OAHLLOKOSA-N -1 1 317.772 3.057 20 10 DGCDMM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000315901362 604465173 /nfs/dbraw/zinc/46/51/73/604465173.db2.gz NIACTNSDRCKMHC-OAHLLOKOSA-N -1 1 317.772 3.057 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccnc1C1CC1 ZINC000890759742 617656384 /nfs/dbraw/zinc/65/63/84/617656384.db2.gz QGBVAPLFMBFLTD-UHFFFAOYSA-N -1 1 302.761 3.248 20 10 DGCDMM CC[C@@H](OC1CCCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759343 617656478 /nfs/dbraw/zinc/65/64/78/617656478.db2.gz ADFFJMIJOZUQSO-CQSZACIVSA-N -1 1 311.809 3.400 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCC(F)(F)C1 ZINC000890759980 617656951 /nfs/dbraw/zinc/65/69/51/617656951.db2.gz XTKCJGMISDSAEP-VIFPVBQESA-N -1 1 303.736 3.487 20 10 DGCDMM CCCCn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC000890759954 617656998 /nfs/dbraw/zinc/65/69/98/617656998.db2.gz XBWXFSDDGYISBJ-UHFFFAOYSA-N -1 1 321.808 3.281 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1C(C)C ZINC000890761689 617657243 /nfs/dbraw/zinc/65/72/43/617657243.db2.gz VSRQNOBOEJNVIS-UHFFFAOYSA-N -1 1 307.781 3.061 20 10 DGCDMM Cc1nc(CCCC(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC000890760270 617657362 /nfs/dbraw/zinc/65/73/62/617657362.db2.gz MQXPMCFALHLDRM-UHFFFAOYSA-N -1 1 324.833 3.450 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1([C@@H]2CCCCO2)CCC1 ZINC000890762584 617657764 /nfs/dbraw/zinc/65/77/64/617657764.db2.gz GRNNWBFVOJPXPQ-AWEZNQCLSA-N -1 1 323.820 3.401 20 10 DGCDMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)NCc1cccc(Cl)c1[O-] ZINC000890762982 617658359 /nfs/dbraw/zinc/65/83/59/617658359.db2.gz LVTCMWNXMAIDEQ-OCCSQVGLSA-N -1 1 309.793 3.010 20 10 DGCDMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)NCc1cccc(Cl)c1[O-] ZINC000890762980 617658471 /nfs/dbraw/zinc/65/84/71/617658471.db2.gz LVTCMWNXMAIDEQ-GXTWGEPZSA-N -1 1 309.793 3.010 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1cc(C(F)(F)F)ccc1F ZINC000206403757 617946639 /nfs/dbraw/zinc/94/66/39/617946639.db2.gz HKUFAQZZHBRPMH-XBXARRHUSA-N -1 1 307.293 3.333 20 10 DGCDMM CS[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893288578 618498276 /nfs/dbraw/zinc/49/82/76/618498276.db2.gz AQTJSCJOSRUEMM-QWRGUYRKSA-N -1 1 314.838 3.129 20 10 DGCDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])CC(F)F ZINC000895492859 618791069 /nfs/dbraw/zinc/79/10/69/618791069.db2.gz GZLUZXOFICVHHA-MRVPVSSYSA-N -1 1 306.740 3.136 20 10 DGCDMM [O-]c1cccc(F)c1CNCc1ncc(C(F)(F)F)s1 ZINC000896638979 618940014 /nfs/dbraw/zinc/94/00/14/618940014.db2.gz SGVOWSRELBBUKZ-UHFFFAOYSA-N -1 1 306.284 3.296 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](C2CCCCC2)C1 ZINC000857316351 621079750 /nfs/dbraw/zinc/07/97/50/621079750.db2.gz VKDWNKUNXGGKKE-GFCCVEGCSA-N -1 1 307.365 3.279 20 10 DGCDMM C[C@@H](Nc1cnn(CC(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000756843405 621667686 /nfs/dbraw/zinc/66/76/86/621667686.db2.gz DXLKBMCIXRQXSQ-SSDOTTSWSA-N -1 1 303.259 3.305 20 10 DGCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)sc1C ZINC000758169352 621762927 /nfs/dbraw/zinc/76/29/27/621762927.db2.gz PXHVPUSHLCWNLL-UHFFFAOYSA-N -1 1 301.364 3.010 20 10 DGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000758773906 621800821 /nfs/dbraw/zinc/80/08/21/621800821.db2.gz JRCGGGFVGXAPCN-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM C[C@@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765770962 622286533 /nfs/dbraw/zinc/28/65/33/622286533.db2.gz UGFRFIIDNWRBIY-NXEZZACHSA-N -1 1 312.207 3.207 20 10 DGCDMM Cc1cccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789963478 625588500 /nfs/dbraw/zinc/58/85/00/625588500.db2.gz JLWBWDDBVYSRLV-UHFFFAOYSA-N -1 1 317.360 3.253 20 10 DGCDMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)c(OC)n1 ZINC000790245198 625622582 /nfs/dbraw/zinc/62/25/82/625622582.db2.gz HRVGLYLDJRWBDJ-UHFFFAOYSA-N -1 1 312.728 3.209 20 10 DGCDMM CC[C@@H](NCc1cn(C)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552024 623288607 /nfs/dbraw/zinc/28/86/07/623288607.db2.gz RQJKRQPDYGRUPG-LLVKDONJSA-N -1 1 315.204 3.068 20 10 DGCDMM O=C(Nc1cccc(N2CCCC2)c1)c1ccc([O-])cc1F ZINC000777797211 623569350 /nfs/dbraw/zinc/56/93/50/623569350.db2.gz PMBPXVIMUJDJQI-UHFFFAOYSA-N -1 1 300.333 3.384 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC=CCC2)c1[O-] ZINC000778577816 623672887 /nfs/dbraw/zinc/67/28/87/623672887.db2.gz YIIQHXOFILOKKP-UHFFFAOYSA-N -1 1 309.365 3.091 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC=CCC2)c1[O-] ZINC000778577816 623672892 /nfs/dbraw/zinc/67/28/92/623672892.db2.gz YIIQHXOFILOKKP-UHFFFAOYSA-N -1 1 309.365 3.091 20 10 DGCDMM [O-]c1c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541521 623934070 /nfs/dbraw/zinc/93/40/70/623934070.db2.gz PKAGPYXRTBZAFF-BBRMVZONSA-N -1 1 309.356 3.204 20 10 DGCDMM Cc1ccc2c(c1)N[C@H](c1cc(Cl)cc(F)c1[O-])NC2=O ZINC000877864619 624073941 /nfs/dbraw/zinc/07/39/41/624073941.db2.gz OYJNORUPTCIGQG-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM Cc1ccc2c(c1)N[C@H](c1cc(Cl)c(F)cc1[O-])NC2=O ZINC000877864657 624074073 /nfs/dbraw/zinc/07/40/73/624074073.db2.gz PYJVTFHJRAPPSL-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000782630228 624268999 /nfs/dbraw/zinc/26/89/99/624268999.db2.gz ZAKQSBGVDKLPPN-UMNHJUIQSA-N -1 1 311.809 3.246 20 10 DGCDMM C[C@H]1CCC[C@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783339252 624339088 /nfs/dbraw/zinc/33/90/88/624339088.db2.gz BRZYAVAQGNGZHU-RYUDHWBXSA-N -1 1 306.358 3.040 20 10 DGCDMM CC[C@@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000785492369 624676436 /nfs/dbraw/zinc/67/64/36/624676436.db2.gz AXDNWNLKCZRTSS-INIZCTEOSA-N -1 1 311.809 3.249 20 10 DGCDMM COC[C@@H](C)n1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000790988404 625731308 /nfs/dbraw/zinc/73/13/08/625731308.db2.gz OYDFDBLYVHDXCY-SECBINFHSA-N -1 1 313.760 3.201 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc2c1OCC[C@H]2O ZINC000883088303 625923412 /nfs/dbraw/zinc/92/34/12/625923412.db2.gz AHPHDQQDYOJTRB-CQSZACIVSA-N -1 1 307.296 3.098 20 10 DGCDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)ccc1C(N)=O ZINC000798085680 626192934 /nfs/dbraw/zinc/19/29/34/626192934.db2.gz UEUUMHDJKVNUFF-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM CN(C)c1ccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000798152681 626197504 /nfs/dbraw/zinc/19/75/04/626197504.db2.gz CLSMTQCNDQWFAX-UHFFFAOYSA-N -1 1 320.339 3.009 20 10 DGCDMM Cn1c(=O)[nH]c2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000799740461 626327021 /nfs/dbraw/zinc/32/70/21/626327021.db2.gz ONQVDQWSHQIREL-UHFFFAOYSA-N -1 1 321.739 3.389 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883382199 626667560 /nfs/dbraw/zinc/66/75/60/626667560.db2.gz BGBGYBDFZBFJDL-DOTOQJQBSA-N -1 1 316.332 3.416 20 10 DGCDMM [O-]c1c(F)cccc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668217 627823407 /nfs/dbraw/zinc/82/34/07/627823407.db2.gz IVFJERUSYNRULP-UHFFFAOYSA-N -1 1 309.344 3.233 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000817766748 627947668 /nfs/dbraw/zinc/94/76/68/627947668.db2.gz PAHVYSLASLJRRT-QMMMGPOBSA-N -1 1 321.270 3.042 20 10 DGCDMM Cc1cc(C)c2c(c1)CN(C(=O)c1c([O-])c(O)ccc1F)CC2 ZINC000828959571 629113851 /nfs/dbraw/zinc/11/38/51/629113851.db2.gz NIWZGNHGAJSINQ-UHFFFAOYSA-N -1 1 315.344 3.052 20 10 DGCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000834162072 629675544 /nfs/dbraw/zinc/67/55/44/629675544.db2.gz ODBDWWFXOWZZDD-YHWZYXNKSA-N -1 1 324.808 3.199 20 10 DGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCC(F)(F)CC1 ZINC000848391743 631652711 /nfs/dbraw/zinc/65/27/11/631652711.db2.gz OPGXTEHBHKSXHA-QMMMGPOBSA-N -1 1 317.307 3.181 20 10 DGCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1c([O-])cccc1F ZINC000185711591 660237636 /nfs/dbraw/zinc/23/76/36/660237636.db2.gz ZLDQKZZZYHEULA-UHFFFAOYSA-N -1 1 314.360 3.062 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC(C)(C)C2)c1[O-] ZINC000045698593 655776389 /nfs/dbraw/zinc/77/63/89/655776389.db2.gz RGYHXLXTSIVVCM-SNVBAGLBSA-N -1 1 311.809 3.248 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC(C)(C)C2)c1[O-] ZINC000045698596 659030368 /nfs/dbraw/zinc/03/03/68/659030368.db2.gz RGYHXLXTSIVVCM-JTQLQIEISA-N -1 1 311.809 3.248 20 10 DGCDMM NC(=O)CSc1ccccc1NCc1cccc(Cl)c1[O-] ZINC000158055811 659134680 /nfs/dbraw/zinc/13/46/80/659134680.db2.gz QQBNOYGQYJIGEQ-UHFFFAOYSA-N -1 1 322.817 3.235 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCn3cccc3C2)c1[O-] ZINC000932532171 661576141 /nfs/dbraw/zinc/57/61/41/661576141.db2.gz JWNOMQFDWZPKCO-UHFFFAOYSA-N -1 1 304.777 3.066 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1noc2c1CCCC2 ZINC000934342700 661699486 /nfs/dbraw/zinc/69/94/86/661699486.db2.gz BGAVAIKJBNMABJ-UHFFFAOYSA-N -1 1 321.764 3.234 20 10 DGCDMM C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000399051377 685239672 /nfs/dbraw/zinc/23/96/72/685239672.db2.gz GOZOMAGYACPMGD-WPRPVWTQSA-N -1 1 318.200 3.242 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(-c2cn[nH]n2)cc1 ZINC001578051908 1191921216 /nfs/dbraw/zinc/92/12/16/1191921216.db2.gz WKBRERGPHFBECL-UHFFFAOYSA-N -1 1 302.284 3.068 20 10 DGCDMM O=C(c1cc2ccccc2cc1[O-])N1Cc2cccc(O)c2C1 ZINC001587928736 1192425579 /nfs/dbraw/zinc/42/55/79/1192425579.db2.gz RXVICAGMKQDFRB-UHFFFAOYSA-N -1 1 305.333 3.407 20 10 DGCDMM O=C(NCCC1CC(F)(F)C1)NCc1cccc(Cl)c1[O-] ZINC001343204199 1179244525 /nfs/dbraw/zinc/24/45/25/1179244525.db2.gz JEBMHKNZEJXJTO-UHFFFAOYSA-N -1 1 318.751 3.280 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1(Nc2ccccc2)CC1 ZINC001457038712 1182440399 /nfs/dbraw/zinc/44/03/99/1182440399.db2.gz ZINIEMXYULGGBG-UHFFFAOYSA-N -1 1 316.788 3.307 20 10 DGCDMM Cc1ncsc1/C=C/C(=O)NCc1cccc(Cl)c1[O-] ZINC001457035859 1182440426 /nfs/dbraw/zinc/44/04/26/1182440426.db2.gz LBGQJIDFNYUTBE-AATRIKPKSA-N -1 1 308.790 3.140 20 10 DGCDMM COc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1F ZINC001457034511 1182441010 /nfs/dbraw/zinc/44/10/10/1182441010.db2.gz HHKDDTKQTHVIQI-UHFFFAOYSA-N -1 1 309.724 3.123 20 10 DGCDMM CCOc1cc(C(=O)[O-])ccc1NCc1ccc(F)c(F)c1O ZINC001605665134 1193162528 /nfs/dbraw/zinc/16/25/28/1193162528.db2.gz BATKTDVTKYDZBO-UHFFFAOYSA-N -1 1 323.295 3.379 20 10 DGCDMM CCSc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001457851679 1182483759 /nfs/dbraw/zinc/48/37/59/1182483759.db2.gz GKCJYZIBAAMNSS-UHFFFAOYSA-N -1 1 321.373 3.279 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](c2ccccc2F)C1 ZINC001457832976 1182483820 /nfs/dbraw/zinc/48/38/20/1182483820.db2.gz JFYZSOBJWFTCQK-SNVBAGLBSA-N -1 1 319.307 3.006 20 10 DGCDMM Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001606859976 1193206256 /nfs/dbraw/zinc/20/62/56/1193206256.db2.gz CRCSBUMVMYDFAS-BQYQJAHWSA-N -1 1 302.761 3.079 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2nccn2c1 ZINC001467062574 1183237752 /nfs/dbraw/zinc/23/77/52/1183237752.db2.gz DZPQCIYRDFTNSE-UHFFFAOYSA-N -1 1 316.748 3.015 20 10 DGCDMM Cc1ccsc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001468331419 1183326455 /nfs/dbraw/zinc/32/64/55/1183326455.db2.gz FXDPHDGMSWWGOM-UHFFFAOYSA-N -1 1 310.806 3.415 20 10 DGCDMM COc1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1C ZINC001607260211 1193221523 /nfs/dbraw/zinc/22/15/23/1193221523.db2.gz BGRJTWRCFATUHM-UHFFFAOYSA-N -1 1 320.776 3.040 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2c(c1)CCC2 ZINC001472316370 1183634018 /nfs/dbraw/zinc/63/40/18/1183634018.db2.gz ORVUDPLOJQAYMK-UHFFFAOYSA-N -1 1 301.773 3.464 20 10 DGCDMM O=[N+]([O-])c1c(NCc2cccc(Cl)c2[O-])nc2ccccn21 ZINC001472899077 1183698205 /nfs/dbraw/zinc/69/82/05/1183698205.db2.gz OIUOPIYNLJHCSZ-UHFFFAOYSA-N -1 1 318.720 3.214 20 10 DGCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccn1 ZINC001477679388 1184106142 /nfs/dbraw/zinc/10/61/42/1184106142.db2.gz XRMDRMUWAYPXEM-JTQLQIEISA-N -1 1 305.765 3.001 20 10 DGCDMM Cc1ccc([C@@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490631 1193392643 /nfs/dbraw/zinc/39/26/43/1193392643.db2.gz IVUSDTSHSROQRM-NXEZZACHSA-N -1 1 306.387 3.267 20 10 DGCDMM COc1ccc2c(c1)N(Cc1cc(F)cc(F)c1[O-])C[C@H](C)O2 ZINC001560775727 1189379666 /nfs/dbraw/zinc/37/96/66/1189379666.db2.gz RYAOMSIIPFXZDQ-JTQLQIEISA-N -1 1 321.323 3.467 20 10 DGCDMM COc1ccc(N(C)Cc2ccc([O-])c(F)c2F)cc1OC ZINC001621412941 1193839170 /nfs/dbraw/zinc/83/91/70/1193839170.db2.gz XWQZOEZEUSMCDU-UHFFFAOYSA-N -1 1 309.312 3.324 20 10 DGCDMM O=C(Cc1noc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001637227326 1194658159 /nfs/dbraw/zinc/65/81/59/1194658159.db2.gz XCSFEBJGMWBLDW-UHFFFAOYSA-N -1 1 316.744 3.046 20 10 DGCDMM CSc1cccnc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001637232592 1194658838 /nfs/dbraw/zinc/65/88/38/1194658838.db2.gz UUBSIQJAEDTRGN-UHFFFAOYSA-N -1 1 308.790 3.093 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC(c2ccc(Cl)cc2)C1 ZINC001638699063 1194733009 /nfs/dbraw/zinc/73/30/09/1194733009.db2.gz GSEKGCAHXHRKCK-UHFFFAOYSA-N -1 1 321.735 3.130 20 10 DGCDMM Cc1ccc(F)c(CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640404507 1194811547 /nfs/dbraw/zinc/81/15/47/1194811547.db2.gz BSGUVOUFHDQAHL-UHFFFAOYSA-N -1 1 307.752 3.352 20 10 DGCDMM CCOC(=O)c1cnc(NCc2cccc(Cl)c2[O-])s1 ZINC001643298778 1195012927 /nfs/dbraw/zinc/01/29/27/1195012927.db2.gz YWOFGNBFUYCVKB-UHFFFAOYSA-N -1 1 312.778 3.291 20 10 DGCDMM CC(C)c1cccc(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001647830454 1195256858 /nfs/dbraw/zinc/25/68/58/1195256858.db2.gz XDTYRCFMNVELDN-UHFFFAOYSA-N -1 1 304.777 3.494 20 10 DGCDMM Cc1noc(C(F)F)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001648606298 1195312974 /nfs/dbraw/zinc/31/29/74/1195312974.db2.gz MVGJYFWYYUGYCS-UHFFFAOYSA-N -1 1 316.691 3.210 20 10 DGCDMM COCCCn1ccc(NCc2cc(Cl)cc(F)c2[O-])n1 ZINC001650769190 1195380920 /nfs/dbraw/zinc/38/09/20/1195380920.db2.gz DFGUNCXXRQCQIN-UHFFFAOYSA-N -1 1 313.760 3.030 20 10 DGCDMM Cc1cc(C(=O)Nc2ccncc2[O-])c(C)n1-c1cccc(C)c1 ZINC001650783436 1195382524 /nfs/dbraw/zinc/38/25/24/1195382524.db2.gz MFTNYTSVSQUSKL-UHFFFAOYSA-N -1 1 321.380 3.177 20 10 DGCDMM O=C(NCc1c(O)ccc2ccccc21)c1ccc([O-])c(F)c1 ZINC001652708559 1195638649 /nfs/dbraw/zinc/63/86/49/1195638649.db2.gz HTBXVOJHAGUVKM-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM CNC(=O)Cc1ccccc1NCc1cc(Cl)cc(F)c1[O-] ZINC001657493968 1196149074 /nfs/dbraw/zinc/14/90/74/1196149074.db2.gz NEYVNGKLPAAPNB-UHFFFAOYSA-N -1 1 322.767 3.085 20 10 DGCDMM Cc1ccc([C@@H]2COCCN2Cc2cc(F)c(F)cc2[O-])o1 ZINC001658895127 1196315816 /nfs/dbraw/zinc/31/58/16/1196315816.db2.gz NGUWOUAHPZUDMP-AWEZNQCLSA-N -1 1 309.312 3.145 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC001659218776 1196360056 /nfs/dbraw/zinc/36/00/56/1196360056.db2.gz QYZPTXJYALRYJW-OAHLLOKOSA-N -1 1 319.351 3.114 20 10 DGCDMM O=C(NCC=C(Cl)Cl)NCc1cccc(Cl)c1[O-] ZINC001674928067 1197923238 /nfs/dbraw/zinc/92/32/38/1197923238.db2.gz KLVXHYPEVQTSPR-UHFFFAOYSA-N -1 1 309.580 3.164 20 10 DGCDMM CN(C)c1cc(F)c(CNCc2ccccc2C(=O)[O-])cc1F ZINC001593711416 954190395 /nfs/dbraw/zinc/19/03/95/954190395.db2.gz WDQGNVWRORZBCL-UHFFFAOYSA-N -1 1 320.339 3.019 20 10 DGCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(F)c(F)cc1[O-] ZINC001598513448 992590354 /nfs/dbraw/zinc/59/03/54/992590354.db2.gz WBEAWMCCSLWZGG-UHFFFAOYSA-N -1 1 307.296 3.001 20 10 DGCDMM O=C(CNc1ccc(-c2ccccc2)nc1)c1ccc([O-])c(O)c1 ZINC001170315200 1082345014 /nfs/dbraw/zinc/34/50/14/1082345014.db2.gz UBCNYTOFJXCNON-UHFFFAOYSA-N -1 1 320.348 3.455 20 10 DGCDMM CC[C@@H]1C[C@H]1C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001167741289 1083366855 /nfs/dbraw/zinc/36/68/55/1083366855.db2.gz SIGYSJSCXUJUTH-NEPJUHHUSA-N -1 1 311.809 3.067 20 10 DGCDMM CSc1ccccc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001183268655 1083915715 /nfs/dbraw/zinc/91/57/15/1083915715.db2.gz RUABYFQTCVIJLG-SECBINFHSA-N -1 1 321.373 3.450 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC001142509125 1087274973 /nfs/dbraw/zinc/27/49/73/1087274973.db2.gz XRJHWLPYCWHNSY-MRXNPFEDSA-N -1 1 305.324 3.244 20 10 DGCDMM COc1ccc2cc([O-])c(C(=O)NCc3ccccc3O)cc2c1 ZINC001154755168 1088745576 /nfs/dbraw/zinc/74/55/76/1088745576.db2.gz YHCVCRXXGZHSGN-UHFFFAOYSA-N -1 1 323.348 3.190 20 10 DGCDMM O=C(CSc1nc2cnccc2s1)c1ccc([O-])c(O)c1 ZINC001166518090 1090613178 /nfs/dbraw/zinc/61/31/78/1090613178.db2.gz VMYNZCQDIWOCFL-UHFFFAOYSA-N -1 1 318.379 3.078 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001137839756 1091220070 /nfs/dbraw/zinc/22/00/70/1091220070.db2.gz IKKARRXBEVMYKF-ZDUSSCGKSA-N -1 1 315.270 3.388 20 10 DGCDMM CCOC(=O)[C@H](NCc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001205450473 1091225584 /nfs/dbraw/zinc/22/55/84/1091225584.db2.gz JOKLSYJMSSOQQA-MRXNPFEDSA-N -1 1 321.323 3.064 20 10 DGCDMM Oc1cccc(Cl)c1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140338176 1091834063 /nfs/dbraw/zinc/83/40/63/1091834063.db2.gz YOGPIVWDCNHSDK-UHFFFAOYSA-N -1 1 317.772 3.333 20 10 DGCDMM COC(=O)c1cccc(C[N@H+](C)Cc2c(O)cccc2Cl)c1 ZINC001140341711 1091835010 /nfs/dbraw/zinc/83/50/10/1091835010.db2.gz DJNTWBLXAQCPDS-UHFFFAOYSA-N -1 1 319.788 3.464 20 10 DGCDMM Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)nc1 ZINC001142530181 1092495316 /nfs/dbraw/zinc/49/53/16/1092495316.db2.gz ADUCVBZDWSVOJP-CYBMUJFWSA-N -1 1 320.339 3.027 20 10 DGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3nccs3)c([O-])cc21 ZINC001210992877 1093346448 /nfs/dbraw/zinc/34/64/48/1093346448.db2.gz FKYSCQHJVCZJSM-UHFFFAOYSA-N -1 1 322.345 3.368 20 10 DGCDMM Cc1ncccc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216952056 1094283508 /nfs/dbraw/zinc/28/35/08/1094283508.db2.gz ROVMYCPGHPMVCA-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM Cc1cc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cnc1C ZINC001216952387 1094283653 /nfs/dbraw/zinc/28/36/53/1094283653.db2.gz YCKLUAKSPODICU-UHFFFAOYSA-N -1 1 317.732 3.480 20 10 DGCDMM CC(C)(C)CCCCCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144685742 1095767722 /nfs/dbraw/zinc/76/77/22/1095767722.db2.gz LGDAPANPEKUWRD-UHFFFAOYSA-N -1 1 321.417 3.393 20 10 DGCDMM O=C1CN(Cc2cccc(F)c2[O-])Cc2ccc(Cl)cc21 ZINC001138131250 1095901238 /nfs/dbraw/zinc/90/12/38/1095901238.db2.gz UFJZCBQGBGCTLP-UHFFFAOYSA-N -1 1 305.736 3.383 20 10 DGCDMM C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1O ZINC001171730938 1096957193 /nfs/dbraw/zinc/95/71/93/1096957193.db2.gz SREZBYGRCKWMEP-JTQLQIEISA-N -1 1 305.761 3.171 20 10 DGCDMM CN(Cc1ccc(C(=O)[O-])cc1O)Cc1cccc(F)c1F ZINC001231453892 1097753419 /nfs/dbraw/zinc/75/34/19/1097753419.db2.gz LXTSIMUFLLYTII-UHFFFAOYSA-N -1 1 307.296 3.001 20 10 DGCDMM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231915122 1097892077 /nfs/dbraw/zinc/89/20/77/1097892077.db2.gz ZKMFDSNFXVPQOE-WHOFXGATSA-N -1 1 323.820 3.209 20 10 DGCDMM Cc1nc([C@H]2CCCCN2Cc2cc(Cl)c([O-])cc2O)no1 ZINC001232266890 1097986765 /nfs/dbraw/zinc/98/67/65/1097986765.db2.gz FKFJTOHAHHAGGP-GFCCVEGCSA-N -1 1 323.780 3.170 20 10 DGCDMM [O-]c1c(F)ccc(CN2CCCc3cc(O)c(O)cc3C2)c1F ZINC001232939229 1098177777 /nfs/dbraw/zinc/17/77/77/1098177777.db2.gz HWGUAFNTQKIYQV-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM COc1ccc2c(c1)CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233074179 1098219212 /nfs/dbraw/zinc/21/92/12/1098219212.db2.gz JSMGJFVPWHUNLU-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM C[C@H]1C(=O)CCN(Cc2ccc(F)c(F)c2[O-])C12CCCC2 ZINC001233079808 1098221510 /nfs/dbraw/zinc/22/15/10/1098221510.db2.gz LDAHLKGWCNEYAJ-NSHDSACASA-N -1 1 309.356 3.394 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1CCOCC1 ZINC001233495861 1098351375 /nfs/dbraw/zinc/35/13/75/1098351375.db2.gz SYQOZAZQUMETPB-LLVKDONJSA-N -1 1 308.374 3.275 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](CCC)CC(=O)OC ZINC001233497766 1098351752 /nfs/dbraw/zinc/35/17/52/1098351752.db2.gz RKGIRPZGTUXEBO-LLVKDONJSA-N -1 1 324.373 3.191 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cnccn1 ZINC001233496685 1098352211 /nfs/dbraw/zinc/35/22/11/1098352211.db2.gz ZFTRTSPHYPGUGL-JTQLQIEISA-N -1 1 302.330 3.011 20 10 DGCDMM COc1ccc([C@H](C)Oc2cc([O-])c(O)cc2C(C)=O)cc1 ZINC001234473346 1098564648 /nfs/dbraw/zinc/56/46/48/1098564648.db2.gz DQXWIINXYOARPI-NSHDSACASA-N -1 1 302.326 3.449 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cc(C)cnc1F ZINC001234477102 1098566156 /nfs/dbraw/zinc/56/61/56/1098566156.db2.gz RFDRAPUCPPSSEJ-SNVBAGLBSA-N -1 1 305.305 3.283 20 10 DGCDMM Cc1nn(C)c2cc(NCc3cc(F)cc(F)c3[O-])ccc12 ZINC001178775342 1098942103 /nfs/dbraw/zinc/94/21/03/1098942103.db2.gz SUJFPVASKPICMZ-UHFFFAOYSA-N -1 1 303.312 3.478 20 10 DGCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H]2C[C@H]21 ZINC001235305573 1098952574 /nfs/dbraw/zinc/95/25/74/1098952574.db2.gz NZMDUOZWYDREBH-QPUJVOFHSA-N -1 1 300.171 3.278 20 10 DGCDMM Cc1ccccc1OCCC(=O)NCc1cccc(Cl)c1[O-] ZINC001180410859 1099411519 /nfs/dbraw/zinc/41/15/19/1099411519.db2.gz SVUVGNMMRPJZMX-UHFFFAOYSA-N -1 1 319.788 3.439 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2Cc3cccnc3C2)c1 ZINC001236665127 1099733062 /nfs/dbraw/zinc/73/30/62/1099733062.db2.gz AWLBIZBNCAOMCT-UHFFFAOYSA-N -1 1 319.202 3.374 20 10 DGCDMM Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001236794292 1099787641 /nfs/dbraw/zinc/78/76/41/1099787641.db2.gz RIMNEMICQOLRDA-AWEZNQCLSA-N -1 1 302.201 3.454 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237085299 1099965184 /nfs/dbraw/zinc/96/51/84/1099965184.db2.gz XRMIYDJDLLZFHX-CQSZACIVSA-N -1 1 302.201 3.454 20 10 DGCDMM COc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc(OC)c1 ZINC001193209900 1100717988 /nfs/dbraw/zinc/71/79/88/1100717988.db2.gz PULGLBDPGZXGFD-UHFFFAOYSA-N -1 1 323.732 3.021 20 10 DGCDMM O=C(Nc1ccc(C(F)F)nc1)c1ccc(O)c([O-])c1Cl ZINC001193220903 1100718422 /nfs/dbraw/zinc/71/84/22/1100718422.db2.gz ZLPNJCSIXBIOKS-UHFFFAOYSA-N -1 1 314.675 3.336 20 10 DGCDMM CN(CCc1ccc(F)cc1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225119 1100721971 /nfs/dbraw/zinc/72/19/71/1100721971.db2.gz IHDOWNVHBUKUHE-UHFFFAOYSA-N -1 1 323.751 3.205 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC2CC2)c1[O-] ZINC001198041431 1101748398 /nfs/dbraw/zinc/74/83/98/1101748398.db2.gz DXSRCVPKXBUMQF-HNNXBMFYSA-N -1 1 323.820 3.249 20 10 DGCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198867862 1102015807 /nfs/dbraw/zinc/01/58/07/1102015807.db2.gz CSZANSSZPXGRCF-UHFFFAOYSA-N -1 1 316.382 3.300 20 10 DGCDMM CNC(=O)Cc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC001327868874 1103747954 /nfs/dbraw/zinc/74/79/54/1103747954.db2.gz OVPLHICKVHQQOO-UHFFFAOYSA-N -1 1 322.767 3.085 20 10 DGCDMM [O-]c1c(O)ccc(-c2nnc(Cc3ccccc3)o2)c1Cl ZINC001253588890 1105961796 /nfs/dbraw/zinc/96/17/96/1105961796.db2.gz MAIKZXOWVQJOJJ-UHFFFAOYSA-N -1 1 302.717 3.392 20 10 DGCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cccc(Cl)c1 ZINC001256804234 1106487220 /nfs/dbraw/zinc/48/72/20/1106487220.db2.gz NFZJMOZFQLZVLE-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001262350495 1107683695 /nfs/dbraw/zinc/68/36/95/1107683695.db2.gz VJPSSVLWSGCEIZ-IEBDPFPHSA-N -1 1 315.747 3.343 20 10 DGCDMM C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC001323829455 1108098412 /nfs/dbraw/zinc/09/84/12/1108098412.db2.gz JIJZRCLHUBFMPJ-SNVBAGLBSA-N -1 1 320.339 3.261 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2c([nH]1)CCCC2 ZINC001305085176 1111192948 /nfs/dbraw/zinc/19/29/48/1111192948.db2.gz RGXVOUYCWOLADK-UHFFFAOYSA-N -1 1 304.777 3.183 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1c[nH]nc1-c1ccccn1 ZINC001308658161 1111457015 /nfs/dbraw/zinc/45/70/15/1111457015.db2.gz YDNCLIOHTBCYPH-UHFFFAOYSA-N -1 1 302.284 3.068 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnc(F)c1F ZINC001311017404 1111579291 /nfs/dbraw/zinc/57/92/91/1111579291.db2.gz ZZCYZASBERKODC-UHFFFAOYSA-N -1 1 313.691 3.041 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1CCN(c2ccccc2O)CC1 ZINC000183467559 432295792 /nfs/dbraw/zinc/29/57/92/432295792.db2.gz MPDSUBXQOMMJQV-UHFFFAOYSA-N -1 1 318.804 3.073 20 10 DGCDMM Cn1cnc(-c2cccc(NCc3cccc(Cl)c3[O-])c2)n1 ZINC000153502602 432414986 /nfs/dbraw/zinc/41/49/86/432414986.db2.gz YLLJEQOBJVTXAA-UHFFFAOYSA-N -1 1 314.776 3.453 20 10 DGCDMM Cn1ccnc1[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373228797 433137361 /nfs/dbraw/zinc/13/73/61/433137361.db2.gz NDMJGQZWMGCKMN-LLVKDONJSA-N -1 1 323.799 3.298 20 10 DGCDMM CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nnnn1C1CC1 ZINC000282356563 433577543 /nfs/dbraw/zinc/57/75/43/433577543.db2.gz CYCLRPZMVIXNGJ-ZDUSSCGKSA-N -1 1 315.421 3.077 20 10 DGCDMM C[C@@H]1[C@@H](C(=O)NCc2cccc(Br)c2[O-])[C@H]1C1CC1 ZINC000529170897 435034009 /nfs/dbraw/zinc/03/40/09/435034009.db2.gz MAPQNCOENCBMRG-ZEGGKSINSA-N -1 1 324.218 3.063 20 10 DGCDMM C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493656 574848246 /nfs/dbraw/zinc/84/82/46/574848246.db2.gz HEZQYDCNWSTRSR-OAHLLOKOSA-N -1 1 305.761 3.303 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(Cl)c1 ZINC000740701195 574939722 /nfs/dbraw/zinc/93/97/22/574939722.db2.gz ZICKFWCYRFKLHO-UHFFFAOYSA-N -1 1 311.790 3.463 20 10 DGCDMM CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826904 575754007 /nfs/dbraw/zinc/75/40/07/575754007.db2.gz UBWXMYMEQWXKHN-CVEARBPZSA-N -1 1 323.408 3.369 20 10 DGCDMM C[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196874 576167899 /nfs/dbraw/zinc/16/78/99/576167899.db2.gz PXCRECPCJSIPIV-CYBMUJFWSA-N -1 1 311.381 3.171 20 10 DGCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196874 576167903 /nfs/dbraw/zinc/16/79/03/576167903.db2.gz PXCRECPCJSIPIV-CYBMUJFWSA-N -1 1 311.381 3.171 20 10 DGCDMM CC(=C\c1ccccc1)/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000728696738 576195627 /nfs/dbraw/zinc/19/56/27/576195627.db2.gz BPZSSABPRQNAQV-PZAFVPBJSA-N -1 1 304.349 3.094 20 10 DGCDMM C[C@@H]1CCC[C@@H](OCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890760552 617657199 /nfs/dbraw/zinc/65/71/99/617657199.db2.gz SXMJHTNPLMYZPH-DGCLKSJQSA-N -1 1 311.809 3.257 20 10 DGCDMM CCc1noc(CC)c1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760806 617657251 /nfs/dbraw/zinc/65/72/51/617657251.db2.gz ZJVDQLBTCSPNQA-UHFFFAOYSA-N -1 1 322.792 3.017 20 10 DGCDMM CCn1nc(C(=O)NCc2cccc(Cl)c2[O-])cc1C1CC1 ZINC000890762821 617658540 /nfs/dbraw/zinc/65/85/40/617658540.db2.gz JVWYCXRVKYQBMP-UHFFFAOYSA-N -1 1 319.792 3.069 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCC(F)(F)C1 ZINC000893706541 618646477 /nfs/dbraw/zinc/64/64/77/618646477.db2.gz GUAAUYGSNWMDJS-VIFPVBQESA-N -1 1 304.724 3.033 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@H]1c1ccsc1 ZINC000896008281 618860829 /nfs/dbraw/zinc/86/08/29/618860829.db2.gz HRZNLKMWDIVLRF-WCQYABFASA-N -1 1 322.817 3.462 20 10 DGCDMM C[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCS1 ZINC000896706557 618946658 /nfs/dbraw/zinc/94/66/58/618946658.db2.gz VDSBEXCLHRFPBY-GXSJLCMTSA-N -1 1 314.838 3.129 20 10 DGCDMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3c(F)ccc(O)c3[O-])C2)C1 ZINC000881442873 625377526 /nfs/dbraw/zinc/37/75/26/625377526.db2.gz QZWCBEBOUPVSLT-WDEREUQCSA-N -1 1 307.365 3.135 20 10 DGCDMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1c(F)ccc(O)c1[O-] ZINC000857334894 621080828 /nfs/dbraw/zinc/08/08/28/621080828.db2.gz FRUBKPITGJVVFL-LBPRGKRZSA-N -1 1 315.344 3.039 20 10 DGCDMM CC1=CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000755757402 621591384 /nfs/dbraw/zinc/59/13/84/621591384.db2.gz FQCOEVYOSKXRCJ-UHFFFAOYSA-N -1 1 323.392 3.481 20 10 DGCDMM CC1=CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000755757402 621591386 /nfs/dbraw/zinc/59/13/86/621591386.db2.gz FQCOEVYOSKXRCJ-UHFFFAOYSA-N -1 1 323.392 3.481 20 10 DGCDMM Cc1csc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537104 621646105 /nfs/dbraw/zinc/64/61/05/621646105.db2.gz VWKCQFGJZKYOAV-UWVGGRQHSA-N -1 1 307.375 3.477 20 10 DGCDMM CCc1nc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000756555652 621647728 /nfs/dbraw/zinc/64/77/28/621647728.db2.gz UHCZRVOFTGVIIL-VIFPVBQESA-N -1 1 307.375 3.170 20 10 DGCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765745987 622284805 /nfs/dbraw/zinc/28/48/05/622284805.db2.gz BJZSEJJORVMRFR-UHFFFAOYSA-N -1 1 320.186 3.393 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC12CCCC2 ZINC000765768299 622285951 /nfs/dbraw/zinc/28/59/51/622285951.db2.gz IQGONQMOEIDWER-NSHDSACASA-N -1 1 324.218 3.351 20 10 DGCDMM O=C(Nc1cccc(N2CCCC2)c1)c1ccc([O-])c(F)c1 ZINC000767293686 622388299 /nfs/dbraw/zinc/38/82/99/622388299.db2.gz JNCBTJJQECZLRP-UHFFFAOYSA-N -1 1 300.333 3.384 20 10 DGCDMM Cc1ccccc1C1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000789972980 625589454 /nfs/dbraw/zinc/58/94/54/625589454.db2.gz AHOYWJMQYHOYQD-UHFFFAOYSA-N -1 1 315.344 3.007 20 10 DGCDMM Cc1cccc([C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)c1C ZINC000789980279 625590221 /nfs/dbraw/zinc/59/02/21/625590221.db2.gz YUVGRAQDISRVEE-LLVKDONJSA-N -1 1 303.333 3.345 20 10 DGCDMM C[C@@H](NCc1ncc(Cl)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872117066 622817799 /nfs/dbraw/zinc/81/77/99/622817799.db2.gz YHMXYLIWSYHJSY-SSDOTTSWSA-N -1 1 313.766 3.261 20 10 DGCDMM O=C1CCCN1c1ccc(NCc2cccc(Cl)c2[O-])nc1 ZINC000776252569 623401840 /nfs/dbraw/zinc/40/18/40/623401840.db2.gz GSAHHOMCWFSVIH-UHFFFAOYSA-N -1 1 317.776 3.180 20 10 DGCDMM COc1ccc(CN(C)Cc2ccc(F)c(F)c2[O-])c(OC)c1 ZINC000876535870 623637370 /nfs/dbraw/zinc/63/73/70/623637370.db2.gz RVPYVGPPHUZBDY-UHFFFAOYSA-N -1 1 323.339 3.320 20 10 DGCDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000780389761 623921330 /nfs/dbraw/zinc/92/13/30/623921330.db2.gz UAWNTFGFKAXZLC-UHFFFAOYSA-N -1 1 309.412 3.223 20 10 DGCDMM CC(C)n1ncnc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000877530612 623928003 /nfs/dbraw/zinc/92/80/03/623928003.db2.gz WEXRTVIJFWIHEO-UHFFFAOYSA-N -1 1 315.204 3.161 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000781896037 624166751 /nfs/dbraw/zinc/16/67/51/624166751.db2.gz GMJHFZOKHPYCSJ-MNOVXSKESA-N -1 1 314.223 3.072 20 10 DGCDMM Cc1cc(Br)c(O)c(C[N@H+]2CCCOC[C@H]2C)c1 ZINC000781914739 624170418 /nfs/dbraw/zinc/17/04/18/624170418.db2.gz ZHWWCGRPKKCQFR-LLVKDONJSA-N -1 1 314.223 3.074 20 10 DGCDMM CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1(C)C ZINC000782220940 624223315 /nfs/dbraw/zinc/22/33/15/624223315.db2.gz LGZUKMNFQSEEGM-BLLLJJGKSA-N -1 1 318.369 3.062 20 10 DGCDMM O=C(COC(=O)c1cccc(C(F)F)c1)c1ccc([O-])c(O)c1 ZINC000783498706 624359336 /nfs/dbraw/zinc/35/93/36/624359336.db2.gz ALCIQYHILWGJKF-UHFFFAOYSA-N -1 1 322.263 3.075 20 10 DGCDMM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783673775 624381745 /nfs/dbraw/zinc/38/17/45/624381745.db2.gz NNCAEKGAVZHIBO-ZDUSSCGKSA-N -1 1 320.385 3.430 20 10 DGCDMM CCCCC[C@@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783904125 624407273 /nfs/dbraw/zinc/40/72/73/624407273.db2.gz UXYIGGCSWDAFJH-GFCCVEGCSA-N -1 1 308.374 3.430 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1csc(-c2cccs2)n1 ZINC000209742696 624414519 /nfs/dbraw/zinc/41/45/19/624414519.db2.gz SZBSNVHKJWZSTE-YWEYNIOJSA-N -1 1 310.450 3.360 20 10 DGCDMM CO[C@@H]1Cc2ccc(NCc3cc(F)cc(F)c3[O-])cc2C1 ZINC000883086618 625922969 /nfs/dbraw/zinc/92/29/69/625922969.db2.gz AJVZYFVASLJTSY-OAHLLOKOSA-N -1 1 305.324 3.396 20 10 DGCDMM COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)CCO2 ZINC000883089958 625923671 /nfs/dbraw/zinc/92/36/71/625923671.db2.gz YHXZIKPGVNYPKU-HNNXBMFYSA-N -1 1 321.323 3.292 20 10 DGCDMM C[C@@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1F ZINC000883157495 625947032 /nfs/dbraw/zinc/94/70/32/625947032.db2.gz AEBYVXNUVURICO-PSLIRLAXSA-N -1 1 311.303 3.021 20 10 DGCDMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1O ZINC000797819378 626171355 /nfs/dbraw/zinc/17/13/55/626171355.db2.gz HPFJQGUUUFRHEQ-UHFFFAOYSA-N -1 1 321.398 3.325 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000808113948 626794401 /nfs/dbraw/zinc/79/44/01/626794401.db2.gz NPLVZHRXCCYAIN-UHFFFAOYSA-N -1 1 321.782 3.355 20 10 DGCDMM COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2c([O-])cccc2F)s1 ZINC000886629538 627176530 /nfs/dbraw/zinc/17/65/30/627176530.db2.gz HRWDXTVXBZMKQD-DTWKUNHWSA-N -1 1 324.377 3.186 20 10 DGCDMM Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816519809 627801664 /nfs/dbraw/zinc/80/16/64/627801664.db2.gz WTGWRKBUOFUQAY-AWEZNQCLSA-N -1 1 323.799 3.428 20 10 DGCDMM CC(=O)NCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816526905 627802685 /nfs/dbraw/zinc/80/26/85/627802685.db2.gz SEGPNADZOHTMDG-UHFFFAOYSA-N -1 1 322.767 3.433 20 10 DGCDMM O=C(COC(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccc([O-])c(O)c1 ZINC000829746229 629187093 /nfs/dbraw/zinc/18/70/93/629187093.db2.gz PLCOODYOLKPGMQ-KGLIPLIRSA-N -1 1 318.369 3.040 20 10 DGCDMM CCc1nc(SCC(=O)c2ccc([O-])c(O)c2)sc1C ZINC000845324496 631164953 /nfs/dbraw/zinc/16/49/53/631164953.db2.gz TWQWTTYIBOUFMS-UHFFFAOYSA-N -1 1 309.412 3.400 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H](F)C2)c1 ZINC000846121333 631211067 /nfs/dbraw/zinc/21/10/67/631211067.db2.gz YJOJTEDGKYYICS-NSHDSACASA-N -1 1 302.187 3.397 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC(=O)CC23CCC3)c1[O-] ZINC000846991884 631375829 /nfs/dbraw/zinc/37/58/29/631375829.db2.gz FCOWDRNXHVGBOV-UHFFFAOYSA-N -1 1 321.804 3.336 20 10 DGCDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2s1 ZINC000793348786 661025707 /nfs/dbraw/zinc/02/57/07/661025707.db2.gz FACAQWBGSHGQEL-UHFFFAOYSA-N -1 1 320.395 3.111 20 10 DGCDMM Cc1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1 ZINC000178863203 657092414 /nfs/dbraw/zinc/09/24/14/657092414.db2.gz VXIPVZGQISAEOG-UITAMQMPSA-N -1 1 314.229 3.246 20 10 DGCDMM Nc1ccc(F)c(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001580447544 1192027416 /nfs/dbraw/zinc/02/74/16/1192027416.db2.gz DQQJBWKVNGDXDJ-UHFFFAOYSA-N -1 1 309.728 3.089 20 10 DGCDMM Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccc1C(=O)[O-] ZINC001600209404 1192808611 /nfs/dbraw/zinc/80/86/11/1192808611.db2.gz LRNPEEGHKCMDJM-UHFFFAOYSA-N -1 1 305.761 3.342 20 10 DGCDMM O=C([O-])C[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001602056633 1192957086 /nfs/dbraw/zinc/95/70/86/1192957086.db2.gz BHBZGUMJMVYZDK-UHFFFAOYSA-N -1 1 319.788 3.175 20 10 DGCDMM O=C([O-])C[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001602056633 1192957088 /nfs/dbraw/zinc/95/70/88/1192957088.db2.gz BHBZGUMJMVYZDK-UHFFFAOYSA-N -1 1 319.788 3.175 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccccc1O ZINC001602059526 1192957343 /nfs/dbraw/zinc/95/73/43/1192957343.db2.gz VIONVWBZBZCSKD-UHFFFAOYSA-N -1 1 305.761 3.132 20 10 DGCDMM C[C@](C[NH2+]Cc1c([O-])cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001604185788 1193059336 /nfs/dbraw/zinc/05/93/36/1193059336.db2.gz SONPDZQJQOZXIM-QGZVFWFLSA-N -1 1 319.788 3.178 20 10 DGCDMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1c([O-])c(O)ccc1F ZINC001457560090 1182469650 /nfs/dbraw/zinc/46/96/50/1182469650.db2.gz SGNJVKQOLUQSOG-VIFPVBQESA-N -1 1 323.751 3.251 20 10 DGCDMM O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1c([O-])c(O)ccc1F ZINC001457940203 1182486791 /nfs/dbraw/zinc/48/67/91/1182486791.db2.gz ZFJKHKWUXYPBHK-JOYOIKCWSA-N -1 1 321.735 3.176 20 10 DGCDMM Cc1nc2c(cccc2C(=O)NCc2cccc(Cl)c2[O-])[nH]1 ZINC001606861195 1193206305 /nfs/dbraw/zinc/20/63/05/1193206305.db2.gz YAYZXAWVTREUGR-UHFFFAOYSA-N -1 1 315.760 3.160 20 10 DGCDMM Cc1cc([O-])c(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001607698720 1193249572 /nfs/dbraw/zinc/24/95/72/1193249572.db2.gz DUEDDUSNKSZFGX-OAHLLOKOSA-N -1 1 323.751 3.409 20 10 DGCDMM Cc1nc2ccc(CSc3ncc(C(=O)[O-])s3)cc2[nH]1 ZINC001607970695 1193271040 /nfs/dbraw/zinc/27/10/40/1193271040.db2.gz VGRGVPJYSQNJBI-UHFFFAOYSA-N -1 1 305.384 3.318 20 10 DGCDMM Cc1cc(O)c(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC001610475355 1193391413 /nfs/dbraw/zinc/39/14/13/1193391413.db2.gz BWUPBFCVMGHFSS-JTQLQIEISA-N -1 1 306.387 3.015 20 10 DGCDMM CSCc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001611294488 1193429789 /nfs/dbraw/zinc/42/97/89/1193429789.db2.gz ZVAVRMXVNDAWKM-UHFFFAOYSA-N -1 1 321.373 3.030 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCS[C@H](C(F)(F)F)C1 ZINC001561008770 1189419522 /nfs/dbraw/zinc/41/95/22/1189419522.db2.gz IVAMXGSJVMXUFJ-NSHDSACASA-N -1 1 313.291 3.150 20 10 DGCDMM Cc1nc(NC(=O)NCc2cccc(Cl)c2[O-])sc1C ZINC001562687451 1189489985 /nfs/dbraw/zinc/48/99/85/1189489985.db2.gz QHZYFJCUFGMOIQ-UHFFFAOYSA-N -1 1 311.794 3.441 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNCc1cn2ccsc2n1 ZINC001620750671 1191429529 /nfs/dbraw/zinc/42/95/29/1191429529.db2.gz JCYKOUHJVKCIDW-UHFFFAOYSA-N -1 1 311.769 3.184 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(F)c(F)cc1F ZINC001637227174 1194658145 /nfs/dbraw/zinc/65/81/45/1194658145.db2.gz QFDOPAQRNIQDCF-UHFFFAOYSA-N -1 1 315.678 3.393 20 10 DGCDMM CCSc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001639016970 1194747018 /nfs/dbraw/zinc/74/70/18/1194747018.db2.gz DEXBBQDHSCBWEX-UHFFFAOYSA-N -1 1 321.373 3.279 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cncc(F)c1Cl ZINC001639127917 1194752020 /nfs/dbraw/zinc/75/20/20/1194752020.db2.gz XOGHDGSDUOQZFZ-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM Cc1ccc(OCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001647826871 1195256650 /nfs/dbraw/zinc/25/66/50/1195256650.db2.gz NFMYURQKNXUDQI-UHFFFAOYSA-N -1 1 305.761 3.049 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1Cc2ccc(F)cc21 ZINC001647829949 1195257186 /nfs/dbraw/zinc/25/71/86/1195257186.db2.gz AQLQHMWXBCSMNZ-ZDUSSCGKSA-N -1 1 305.736 3.141 20 10 DGCDMM Cc1cc2c[nH]nc2c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001647826813 1195257296 /nfs/dbraw/zinc/25/72/96/1195257296.db2.gz KRVIJIWJQSPUFZ-UHFFFAOYSA-N -1 1 315.760 3.160 20 10 DGCDMM CC(C)(CCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC001648485370 1195304178 /nfs/dbraw/zinc/30/41/78/1195304178.db2.gz SSHNVIYQCFZPLV-UHFFFAOYSA-N -1 1 317.360 3.335 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2COc3ccc(Cl)cc32)c1 ZINC001650753525 1195378415 /nfs/dbraw/zinc/37/84/15/1195378415.db2.gz LACKYYYJAFNBMR-CYBMUJFWSA-N -1 1 320.732 3.177 20 10 DGCDMM C[C@H]1CC[C@@](C)(CNC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC001651139081 1195418906 /nfs/dbraw/zinc/41/89/06/1195418906.db2.gz CKSMFYZTVPNWHP-BTDLBPIBSA-N -1 1 309.381 3.429 20 10 DGCDMM [O-]c1cccc(F)c1CNCc1ncc(Br)s1 ZINC001653131303 1195690695 /nfs/dbraw/zinc/69/06/95/1195690695.db2.gz IUSCDMLAWRWATQ-UHFFFAOYSA-N -1 1 317.183 3.040 20 10 DGCDMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001654603330 1195821617 /nfs/dbraw/zinc/82/16/17/1195821617.db2.gz JPPZOPFRZKAIHA-UHFFFAOYSA-N -1 1 324.384 3.392 20 10 DGCDMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654717216 1195832507 /nfs/dbraw/zinc/83/25/07/1195832507.db2.gz WVZRXGCNIAEQGX-LBPRGKRZSA-N -1 1 321.323 3.127 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](C2CCC2)CC1 ZINC001654783264 1195840895 /nfs/dbraw/zinc/84/08/95/1195840895.db2.gz MIRMZSHRXVOIJC-GFCCVEGCSA-N -1 1 307.365 3.279 20 10 DGCDMM O=C1CC[C@@H](c2cccc(NCc3cc(F)cc(F)c3[O-])c2)N1 ZINC001657543532 1196153433 /nfs/dbraw/zinc/15/34/33/1196153433.db2.gz CVNTYRIZVNXUBX-HNNXBMFYSA-N -1 1 318.323 3.234 20 10 DGCDMM O=C1NCCc2c(NCc3cc(Cl)c(F)cc3[O-])cccc21 ZINC001659447859 1196384934 /nfs/dbraw/zinc/38/49/34/1196384934.db2.gz LZDUGUAYTPQJJP-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C(=O)[O-])C1 ZINC001594424415 999587482 /nfs/dbraw/zinc/58/74/82/999587482.db2.gz SKZHSXZRMYMCEK-PELKAZGASA-N -1 1 318.200 3.384 20 10 DGCDMM O=C1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1F ZINC001237078757 1099959934 /nfs/dbraw/zinc/95/99/34/1099959934.db2.gz WOJZVZNLRYCWEP-JTQLQIEISA-N -1 1 306.164 3.202 20 10 DGCDMM Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)c2ncccc12 ZINC001170323481 1082346344 /nfs/dbraw/zinc/34/63/44/1082346344.db2.gz ZBKIXECBWWTSGQ-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM CC(C)(C)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170322701 1082346511 /nfs/dbraw/zinc/34/65/11/1082346511.db2.gz MPQCOAGNIMGBLO-UHFFFAOYSA-N -1 1 300.358 3.085 20 10 DGCDMM O=C(CCC(=O)c1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001159033709 1088152906 /nfs/dbraw/zinc/15/29/06/1088152906.db2.gz MJSDPSDBUTYNJE-UHFFFAOYSA-N -1 1 317.772 3.325 20 10 DGCDMM C[C@H](OCc1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034082 1088153529 /nfs/dbraw/zinc/15/35/29/1088153529.db2.gz QXGRBDUQJORBLO-LBPRGKRZSA-N -1 1 319.788 3.267 20 10 DGCDMM O=C(Cc1nc(C2CC2)cs1)NCc1cccc(Cl)c1[O-] ZINC001159041468 1088155175 /nfs/dbraw/zinc/15/51/75/1088155175.db2.gz OEJWPSFFOCXERQ-UHFFFAOYSA-N -1 1 322.817 3.238 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001203573477 1090759324 /nfs/dbraw/zinc/75/93/24/1090759324.db2.gz BPIJKYPRBDCWQD-RNCFNFMXSA-N -1 1 302.201 3.310 20 10 DGCDMM C[C@H](CC(N)=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001203821549 1090813058 /nfs/dbraw/zinc/81/30/58/1090813058.db2.gz WMRFFDXFDZCKJY-SNVBAGLBSA-N -1 1 320.339 3.261 20 10 DGCDMM Cc1cccc(N2CCN(Cc3c(F)ccc(F)c3[O-])CC2)c1 ZINC001139685674 1091640919 /nfs/dbraw/zinc/64/09/19/1091640919.db2.gz SIWYYHQELMAQRP-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140468273 1091878114 /nfs/dbraw/zinc/87/81/14/1091878114.db2.gz DHWJXZODYIDTKW-UHFFFAOYSA-N -1 1 312.797 3.056 20 10 DGCDMM Cc1ccc(N2CCN(Cc3c([O-])cc(F)cc3F)CC2)cc1 ZINC001140580074 1091917668 /nfs/dbraw/zinc/91/76/68/1091917668.db2.gz QHYFUHXSLCBAHO-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM Cc1ccccc1N1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583104 1091919639 /nfs/dbraw/zinc/91/96/39/1091919639.db2.gz WFMSYWYGNPWMLW-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM CN(CCC(=O)c1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140583761 1091920618 /nfs/dbraw/zinc/92/06/18/1091920618.db2.gz RSRGIHSMBYMFHL-UHFFFAOYSA-N -1 1 305.324 3.375 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H](c2ccccc2)C1 ZINC001142524991 1092493792 /nfs/dbraw/zinc/49/37/92/1092493792.db2.gz SGQNLFMWACSPOV-KRWDZBQOSA-N -1 1 305.324 3.244 20 10 DGCDMM CN(Cc1nc2ccccc2o1)Cc1cc(F)c(F)cc1[O-] ZINC001142526943 1092494421 /nfs/dbraw/zinc/49/44/21/1092494421.db2.gz CMSNLRJOJKMRQC-UHFFFAOYSA-N -1 1 304.296 3.444 20 10 DGCDMM CC(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2N)ccc1O ZINC001215848337 1094072616 /nfs/dbraw/zinc/07/26/16/1094072616.db2.gz BAJQNUBSKDKJMK-UHFFFAOYSA-N -1 1 324.377 3.038 20 10 DGCDMM Cc1ccnc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1 ZINC001216951911 1094283450 /nfs/dbraw/zinc/28/34/50/1094283450.db2.gz PDVOKZBYPCMOSI-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c1 ZINC000319714312 1095409933 /nfs/dbraw/zinc/40/99/33/1095409933.db2.gz LSGNVGNMUMTFRO-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001228116306 1097054440 /nfs/dbraw/zinc/05/44/40/1097054440.db2.gz XVOTZEHNWOTZMC-JTQLQIEISA-N -1 1 314.337 3.212 20 10 DGCDMM CC[C@@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196583 1097275679 /nfs/dbraw/zinc/27/56/79/1097275679.db2.gz FWBLOKLVLXNYNB-SECBINFHSA-N -1 1 312.321 3.051 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001231566302 1097780307 /nfs/dbraw/zinc/78/03/07/1097780307.db2.gz XCTMLBNHWDBCPL-AWEZNQCLSA-N -1 1 315.344 3.219 20 10 DGCDMM [O-]c1cc(O)c(CN2CCC[C@@H](F)C(F)(F)C2)cc1Cl ZINC001232261210 1097985304 /nfs/dbraw/zinc/98/53/04/1097985304.db2.gz WZSKIOTUUOEIGJ-GFCCVEGCSA-N -1 1 309.715 3.320 20 10 DGCDMM [O-]c1cc(CN2CCCc3cc(O)c(O)cc3C2)cc(F)c1F ZINC001232975724 1098191482 /nfs/dbraw/zinc/19/14/82/1098191482.db2.gz NEYSAOMLKNXYCI-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM [O-]c1c(CN2CCN(c3ccc(F)cc3)CC2)ccc(F)c1F ZINC001233074853 1098219345 /nfs/dbraw/zinc/21/93/45/1098219345.db2.gz YMOQDGRVDXFNDU-UHFFFAOYSA-N -1 1 322.330 3.132 20 10 DGCDMM CN(Cc1cccc2c1OCO2)Cc1ccc(F)c(F)c1[O-] ZINC001233079338 1098221268 /nfs/dbraw/zinc/22/12/68/1098221268.db2.gz AAFDDYHOAJVPHT-UHFFFAOYSA-N -1 1 307.296 3.031 20 10 DGCDMM COc1cccc(CN(C)Cc2ccc(F)c(F)c2[O-])c1OC ZINC001233078952 1098221560 /nfs/dbraw/zinc/22/15/60/1098221560.db2.gz PSUWIXCITGUAPO-UHFFFAOYSA-N -1 1 323.339 3.320 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CC(Oc2ccccc2F)C1 ZINC001233335389 1098292590 /nfs/dbraw/zinc/29/25/90/1098292590.db2.gz SQIPOXCJGBWZPC-UHFFFAOYSA-N -1 1 309.287 3.073 20 10 DGCDMM C[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233415800 1098322758 /nfs/dbraw/zinc/32/27/58/1098322758.db2.gz ITCJEFUFGWXWAO-JTQLQIEISA-N -1 1 301.308 3.212 20 10 DGCDMM CCN(Cc1cc(Cl)c(Cl)cc1[O-])[C@@H](C)C(=O)OC ZINC001236802313 1099796568 /nfs/dbraw/zinc/79/65/68/1099796568.db2.gz IXWBHOPGQANVKV-QMMMGPOBSA-N -1 1 306.189 3.082 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@]12CCOC2 ZINC001237085269 1099963969 /nfs/dbraw/zinc/96/39/69/1099963969.db2.gz WZCGOWYURFZBLB-CQSZACIVSA-N -1 1 302.201 3.454 20 10 DGCDMM CN(Cc1cnc2ccccn12)Cc1c([O-])ccc(F)c1Cl ZINC001237119795 1099980385 /nfs/dbraw/zinc/98/03/85/1099980385.db2.gz FPAQYTQVZTXVEN-UHFFFAOYSA-N -1 1 319.767 3.464 20 10 DGCDMM CCOC(=O)[C@H]1CCCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237126972 1099984141 /nfs/dbraw/zinc/98/41/41/1099984141.db2.gz RFLSXLCKPIRBFI-GFCCVEGCSA-N -1 1 315.772 3.102 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CC(Oc2ccccc2)C1 ZINC001237126364 1099984313 /nfs/dbraw/zinc/98/43/13/1099984313.db2.gz JOGCFORBBWJILO-UHFFFAOYSA-N -1 1 307.752 3.448 20 10 DGCDMM COc1cc2c(cn1)CCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237125360 1099985080 /nfs/dbraw/zinc/98/50/80/1099985080.db2.gz CYHXEEKSKXZFGJ-UHFFFAOYSA-N -1 1 322.767 3.147 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@H]1c1ncccn1 ZINC001237944857 1100299441 /nfs/dbraw/zinc/29/94/41/1100299441.db2.gz WSXNMEBKGRWVRB-CYBMUJFWSA-N -1 1 307.756 3.312 20 10 DGCDMM CN(CC(=O)c1ccccc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950531 1100301928 /nfs/dbraw/zinc/30/19/28/1100301928.db2.gz WIFHKEVTUXLIGJ-UHFFFAOYSA-N -1 1 307.752 3.499 20 10 DGCDMM CN(C)c1ccc(-c2nc(C(=O)[N-]c3cnoc3)cs2)cc1 ZINC001193164113 1100714846 /nfs/dbraw/zinc/71/48/46/1100714846.db2.gz QXTGXPSBVAPHAS-UHFFFAOYSA-N -1 1 314.370 3.116 20 10 DGCDMM O=C(Nc1cccc2cc[nH]c21)c1ccc(O)c([O-])c1Cl ZINC001193230244 1100722150 /nfs/dbraw/zinc/72/21/50/1100722150.db2.gz RYNJXIFDAULFBJ-UHFFFAOYSA-N -1 1 302.717 3.485 20 10 DGCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1C(N)=O ZINC001201170070 1102506311 /nfs/dbraw/zinc/50/63/11/1102506311.db2.gz SXOYLUXMCISEPE-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM CC(C)S(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001252528988 1105789944 /nfs/dbraw/zinc/78/99/44/1105789944.db2.gz BZPFKKLWLCCPGH-UHFFFAOYSA-N -1 1 301.367 3.048 20 10 DGCDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(F)cc1 ZINC001253600634 1105963437 /nfs/dbraw/zinc/96/34/37/1105963437.db2.gz FCYRUYWEINOTOY-UHFFFAOYSA-N -1 1 321.373 3.208 20 10 DGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccccc1Cl ZINC001256306565 1106402631 /nfs/dbraw/zinc/40/26/31/1106402631.db2.gz FTCYQNAGUVDHGT-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccccc1Cl ZINC001256315894 1106404783 /nfs/dbraw/zinc/40/47/83/1106404783.db2.gz GOANWEDREQNFOK-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(C)c(O)cc1C ZINC001259202853 1107097627 /nfs/dbraw/zinc/09/76/27/1107097627.db2.gz HCFLLSOMFHZODN-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cnc(C2CC2)s1 ZINC001261140226 1107351959 /nfs/dbraw/zinc/35/19/59/1107351959.db2.gz LTMRXROXSIKRCO-UHFFFAOYSA-N -1 1 320.761 3.462 20 10 DGCDMM COc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1C ZINC001305069742 1111193053 /nfs/dbraw/zinc/19/30/53/1111193053.db2.gz MZPTXELNOSBNAZ-UHFFFAOYSA-N -1 1 305.761 3.293 20 10 DGCDMM COc1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(F)c1 ZINC001305069818 1111193099 /nfs/dbraw/zinc/19/30/99/1111193099.db2.gz QBAXBQIWEDXCNY-UHFFFAOYSA-N -1 1 309.724 3.123 20 10 DGCDMM CN1Cc2c(cccc2NCc2cccc(Cl)c2[O-])C1=O ZINC001308814442 1111478548 /nfs/dbraw/zinc/47/85/48/1111478548.db2.gz HBBQEUWSULPWFV-UHFFFAOYSA-N -1 1 302.761 3.243 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc2ccccc2c1 ZINC000090662080 185308689 /nfs/dbraw/zinc/30/86/89/185308689.db2.gz BLYIIYKRANBINI-AQTBWJFISA-N -1 1 314.344 3.301 20 10 DGCDMM C[C@@H](NCc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1[O-] ZINC000276957876 296136062 /nfs/dbraw/zinc/13/60/62/296136062.db2.gz RLDNQDPPNULZJJ-SNVBAGLBSA-N -1 1 307.344 3.054 20 10 DGCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287231343 131270441 /nfs/dbraw/zinc/27/04/41/131270441.db2.gz GQWXBFYLIZYQLZ-OQPBUACISA-N -1 1 317.307 3.170 20 10 DGCDMM C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442906 432265657 /nfs/dbraw/zinc/26/56/57/432265657.db2.gz SJPKRNAHUGEQES-RISCZKNCSA-N -1 1 323.799 3.464 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cc(C)on2)c1[O-] ZINC000177023402 432576561 /nfs/dbraw/zinc/57/65/61/432576561.db2.gz JDOKBNWFJRJEJB-UHFFFAOYSA-N -1 1 308.765 3.177 20 10 DGCDMM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851326 432826748 /nfs/dbraw/zinc/82/67/48/432826748.db2.gz BCRCNFGYIYTVNG-DTWKUNHWSA-N -1 1 310.348 3.324 20 10 DGCDMM CC(C)c1nnc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851322 432826941 /nfs/dbraw/zinc/82/69/41/432826941.db2.gz BCRCNFGYIYTVNG-BDAKNGLRSA-N -1 1 310.348 3.324 20 10 DGCDMM CC(C)(C)c1cnc(SCC(=O)c2ccc([O-])c(O)c2)o1 ZINC000130117195 519076651 /nfs/dbraw/zinc/07/66/51/519076651.db2.gz QSELYNRPCQHHBN-UHFFFAOYSA-N -1 1 307.371 3.358 20 10 DGCDMM O=C([O-])C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000738607717 574874973 /nfs/dbraw/zinc/87/49/73/574874973.db2.gz QOAGMIAKYXZWQQ-UHFFFAOYSA-N -1 1 311.337 3.341 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000738607717 574874976 /nfs/dbraw/zinc/87/49/76/574874976.db2.gz QOAGMIAKYXZWQQ-UHFFFAOYSA-N -1 1 311.337 3.341 20 10 DGCDMM O=C([O-])CN(Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000738607717 574874977 /nfs/dbraw/zinc/87/49/77/574874977.db2.gz QOAGMIAKYXZWQQ-UHFFFAOYSA-N -1 1 311.337 3.341 20 10 DGCDMM CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826909 575753993 /nfs/dbraw/zinc/75/39/93/575753993.db2.gz UBWXMYMEQWXKHN-JKSUJKDBSA-N -1 1 323.408 3.369 20 10 DGCDMM CC[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1c(C)noc1C ZINC000890757479 617655804 /nfs/dbraw/zinc/65/58/04/617655804.db2.gz FFBVOQMABKUFTP-GFCCVEGCSA-N -1 1 322.792 3.460 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCC(F)(F)CC1 ZINC000890760712 617657163 /nfs/dbraw/zinc/65/71/63/617657163.db2.gz XGJZLVXEHARVSR-UHFFFAOYSA-N -1 1 303.736 3.487 20 10 DGCDMM CC(C)(C)c1nc(C(=O)NCc2cccc(Cl)c2[O-])co1 ZINC000890763146 617658507 /nfs/dbraw/zinc/65/85/07/617658507.db2.gz PCXXOIMJTQJHKQ-UHFFFAOYSA-N -1 1 308.765 3.261 20 10 DGCDMM CCO[C@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCCC1 ZINC000890763359 617659177 /nfs/dbraw/zinc/65/91/77/617659177.db2.gz UBVRMZFDGDNLNF-HNNXBMFYSA-N -1 1 311.809 3.257 20 10 DGCDMM COC(C)(C)C[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893251929 618486882 /nfs/dbraw/zinc/48/68/82/618486882.db2.gz UTRHLDRPWQXIPM-SNVBAGLBSA-N -1 1 314.813 3.048 20 10 DGCDMM C[N@H+](Cc1ccns1)Cc1ccc(Br)cc1O ZINC000895451687 618786801 /nfs/dbraw/zinc/78/68/01/618786801.db2.gz DFNUBGQBRCXQSX-UHFFFAOYSA-N -1 1 313.220 3.243 20 10 DGCDMM C[C@@]1(CCNC(=O)NCc2cccc(Cl)c2[O-])CC1(F)F ZINC000895795128 618832783 /nfs/dbraw/zinc/83/27/83/618832783.db2.gz CAXVOXWOZYVEOD-CYBMUJFWSA-N -1 1 318.751 3.280 20 10 DGCDMM Cc1cnc(CNC(=O)NCc2cccc(Cl)c2[O-])c(C)c1 ZINC000896678210 618945260 /nfs/dbraw/zinc/94/52/60/618945260.db2.gz ZJJGFXFFVOIUIC-UHFFFAOYSA-N -1 1 319.792 3.057 20 10 DGCDMM [O-]c1c(CNCc2nc3c(s2)CCCC3)ccc(F)c1F ZINC000896822412 618966188 /nfs/dbraw/zinc/96/61/88/618966188.db2.gz LBNQOKUWIDPINS-UHFFFAOYSA-N -1 1 310.369 3.296 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1cc(C(F)(F)F)ccc1F ZINC000113006439 620870728 /nfs/dbraw/zinc/87/07/28/620870728.db2.gz HKUFAQZZHBRPMH-YWEYNIOJSA-N -1 1 307.293 3.333 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1cccc(-n2nccn2)c1 ZINC000864044093 621730879 /nfs/dbraw/zinc/73/08/79/621730879.db2.gz SGTJRVUPPXGPIS-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)[C@H]2C)c1[O-] ZINC000763415375 622144222 /nfs/dbraw/zinc/14/42/22/622144222.db2.gz JKIFWPZROZAMOY-LLVKDONJSA-N -1 1 311.809 3.248 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000867830520 622186763 /nfs/dbraw/zinc/18/67/63/622186763.db2.gz BBYNYTVLHRSFMD-QTKMDUPCSA-N -1 1 324.218 3.063 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)o1 ZINC000765727811 622284461 /nfs/dbraw/zinc/28/44/61/622284461.db2.gz OVFVHHPGUQQHBB-UHFFFAOYSA-N -1 1 324.174 3.295 20 10 DGCDMM C/C(=C\C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000765732054 622284701 /nfs/dbraw/zinc/28/47/01/622284701.db2.gz OVVIZTZYHLPJNK-VQHVLOKHSA-N -1 1 310.191 3.127 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1F ZINC000765755165 622285244 /nfs/dbraw/zinc/28/52/44/622285244.db2.gz HJXJPCLQRNDXLQ-UHFFFAOYSA-N -1 1 324.149 3.224 20 10 DGCDMM COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC=CCC1 ZINC000769381120 622522700 /nfs/dbraw/zinc/52/27/00/622522700.db2.gz LDEUYNWKPVERER-CYBMUJFWSA-N -1 1 323.820 3.377 20 10 DGCDMM C[C@H]1SCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000769445593 622528116 /nfs/dbraw/zinc/52/81/16/622528116.db2.gz HKJQVAKWLGOATB-DTWKUNHWSA-N -1 1 316.810 3.280 20 10 DGCDMM CN(Cc1cccc(Cl)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789938600 625585464 /nfs/dbraw/zinc/58/54/64/625585464.db2.gz DVCLDTXLGDZZGG-UHFFFAOYSA-N -1 1 309.724 3.163 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCc2c(Cl)cccc2C1 ZINC000789982751 625590272 /nfs/dbraw/zinc/59/02/72/625590272.db2.gz DEXMRTUDDABRIO-UHFFFAOYSA-N -1 1 321.735 3.089 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Cl)ccc1F ZINC000790068132 625600181 /nfs/dbraw/zinc/60/01/81/625600181.db2.gz MXSQDXFGEZIPTB-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1c([O-])cccc1F ZINC000773413009 623024222 /nfs/dbraw/zinc/02/42/22/623024222.db2.gz JKTFMWGLSRQVHJ-UHFFFAOYSA-N -1 1 315.344 3.046 20 10 DGCDMM CCCC[C@H](CC)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783713247 624385856 /nfs/dbraw/zinc/38/58/56/624385856.db2.gz ZUEGULRQPIJGQY-LBPRGKRZSA-N -1 1 308.374 3.430 20 10 DGCDMM CC1(C)CCC[C@@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784377636 624514156 /nfs/dbraw/zinc/51/41/56/624514156.db2.gz AFHQGLLACUGRMI-LBPRGKRZSA-N -1 1 320.385 3.430 20 10 DGCDMM Cc1c(Cl)cccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000787077512 624976504 /nfs/dbraw/zinc/97/65/04/624976504.db2.gz JMNHVBLAXOTFHY-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)[N-]C1=O ZINC000787166552 624984525 /nfs/dbraw/zinc/98/45/25/624984525.db2.gz ATXFFAWOTQUQJJ-IGJCCDITSA-N -1 1 306.368 3.030 20 10 DGCDMM CCOc1ccc(NCc2cc(F)cc(F)c2[O-])cc1CO ZINC000883056854 625912389 /nfs/dbraw/zinc/91/23/89/625912389.db2.gz XWDBNEYDRVWCMP-UHFFFAOYSA-N -1 1 309.312 3.174 20 10 DGCDMM Cn1c(=O)[nH]c2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000799739704 626326791 /nfs/dbraw/zinc/32/67/91/626326791.db2.gz AQKGXKULSVEMFD-UHFFFAOYSA-N -1 1 321.739 3.389 20 10 DGCDMM Cc1[nH]nc(NCc2cc(Br)cc(F)c2[O-])c1C ZINC000886197760 627120079 /nfs/dbraw/zinc/12/00/79/627120079.db2.gz LIXVERRIOVKPKC-UHFFFAOYSA-N -1 1 314.158 3.246 20 10 DGCDMM Cn1cc(NCc2cccc(Br)c2[O-])c(C2CC2)n1 ZINC000812775697 627419135 /nfs/dbraw/zinc/41/91/35/627419135.db2.gz FCPPLZRBPDJMHP-UHFFFAOYSA-N -1 1 322.206 3.378 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818230258 628007105 /nfs/dbraw/zinc/00/71/05/628007105.db2.gz OXLKQMOHEOUWOH-HOTGVXAUSA-N -1 1 302.305 3.027 20 10 DGCDMM COc1cnc(C=Cc2ccc(N3CCCCC3)cc2)[n-]c1=O ZINC000821007111 628325306 /nfs/dbraw/zinc/32/53/06/628325306.db2.gz CTZWZUWJAMCJLW-JXMROGBWSA-N -1 1 311.385 3.352 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C2CCC2)c1[O-] ZINC000830234196 629242002 /nfs/dbraw/zinc/24/20/02/629242002.db2.gz BSBXNIVRDCUHTR-MRXNPFEDSA-N -1 1 323.820 3.249 20 10 DGCDMM CC(=O)c1cc(F)cc(C[NH2+]C2(C(=O)[O-])CCCCCC2)c1[O-] ZINC000833400872 629598787 /nfs/dbraw/zinc/59/87/87/629598787.db2.gz OXXQRRUEPFKUEA-UHFFFAOYSA-N -1 1 323.364 3.001 20 10 DGCDMM CCN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000840838697 630365050 /nfs/dbraw/zinc/36/50/50/630365050.db2.gz RSAPZEFQXAQYDV-OAHLLOKOSA-N -1 1 318.804 3.428 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](F)C2)c1 ZINC000846121331 631211077 /nfs/dbraw/zinc/21/10/77/631211077.db2.gz YJOJTEDGKYYICS-LLVKDONJSA-N -1 1 302.187 3.397 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2nc(C)no2)c1[O-] ZINC000847059933 631393946 /nfs/dbraw/zinc/39/39/46/631393946.db2.gz VRPPAHYDXNZGQB-QMMMGPOBSA-N -1 1 323.780 3.133 20 10 DGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000792702950 660980484 /nfs/dbraw/zinc/98/04/84/660980484.db2.gz KLCZXQXLOOXWCA-UHFFFAOYSA-N -1 1 309.412 3.223 20 10 DGCDMM Cc1ccc(OC(F)F)c(C=C2SC(=S)[N-]C2=O)c1 ZINC000255546888 655793504 /nfs/dbraw/zinc/79/35/04/655793504.db2.gz RRXFEGMOYAYELL-UITAMQMPSA-N -1 1 301.339 3.085 20 10 DGCDMM Cc1ccc(-c2nc(C=C3SC(=S)[N-]C3=O)co2)cc1 ZINC000176853190 655855830 /nfs/dbraw/zinc/85/58/30/655855830.db2.gz JMROUNREERKKMK-IZZDOVSWSA-N -1 1 302.380 3.139 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1c(F)cccc1Br ZINC000195166570 656210176 /nfs/dbraw/zinc/21/01/76/656210176.db2.gz SNFNVGMTIBDNMH-YWEYNIOJSA-N -1 1 318.192 3.077 20 10 DGCDMM CCCOc1c(C=C2SC(=S)[N-]C2=O)cccc1OCC ZINC000005128461 656502412 /nfs/dbraw/zinc/50/24/12/656502412.db2.gz YUYRKWPMSILWJK-XFXZXTDPSA-N -1 1 323.439 3.363 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](C1CC1)C(F)(F)F ZINC000931436657 661476071 /nfs/dbraw/zinc/47/60/71/661476071.db2.gz JWJZKLUIEINKFM-NSHDSACASA-N -1 1 322.714 3.186 20 10 DGCDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000188480011 661932400 /nfs/dbraw/zinc/93/24/00/661932400.db2.gz LTNWVGOIKBEIPC-UHFFFAOYSA-N -1 1 309.412 3.223 20 10 DGCDMM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092643812 662333537 /nfs/dbraw/zinc/33/35/37/662333537.db2.gz GGAUTPSFKWCKEC-VIFPVBQESA-N -1 1 318.200 3.084 20 10 DGCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1C(=O)[O-] ZINC000380164204 685152011 /nfs/dbraw/zinc/15/20/11/685152011.db2.gz ZYRZKXKSDMGCRH-KWQFWETISA-N -1 1 318.200 3.242 20 10 DGCDMM C(=Cc1ccc(N2CCCC2)cc1)c1nc(-c2nnn[n-]2)cs1 ZINC001588381641 1192446333 /nfs/dbraw/zinc/44/63/33/1192446333.db2.gz MUWNMUFHDCDYSN-VMPITWQZSA-N -1 1 324.413 3.094 20 10 DGCDMM C(=Cc1ccc(N2CCCC2)cc1)c1nc(-c2nn[n-]n2)cs1 ZINC001588381641 1192446338 /nfs/dbraw/zinc/44/63/38/1192446338.db2.gz MUWNMUFHDCDYSN-VMPITWQZSA-N -1 1 324.413 3.094 20 10 DGCDMM Cc1ccnc(C)c1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001671123349 1178032605 /nfs/dbraw/zinc/03/26/05/1178032605.db2.gz ZOSXNBRXOJNJFO-UHFFFAOYSA-N -1 1 305.765 3.379 20 10 DGCDMM Cn1c2ccc(F)cc2c(CN2CCC[C@](C)(F)C2)c1C(=O)[O-] ZINC001600901988 1192909779 /nfs/dbraw/zinc/90/97/79/1192909779.db2.gz TWOLYOIWVYWQSX-KRWDZBQOSA-N -1 1 322.355 3.340 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCCC1 ZINC001602057423 1192957110 /nfs/dbraw/zinc/95/71/10/1192957110.db2.gz AVQXTBHWYPUNAU-UHFFFAOYSA-N -1 1 301.745 3.014 20 10 DGCDMM [O-]c1c(F)cccc1CN1CC(OCCCc2ccccc2)C1 ZINC001462323562 1182940306 /nfs/dbraw/zinc/94/03/06/1182940306.db2.gz RGPIFPDKFVHLRJ-UHFFFAOYSA-N -1 1 315.388 3.365 20 10 DGCDMM CC(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001606860292 1193206121 /nfs/dbraw/zinc/20/61/21/1193206121.db2.gz IRUSQCZFIJXNFZ-UHFFFAOYSA-N -1 1 317.772 3.107 20 10 DGCDMM Cc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001606859977 1193206346 /nfs/dbraw/zinc/20/63/46/1193206346.db2.gz CRCSBUMVMYDFAS-FPLPWBNLSA-N -1 1 302.761 3.079 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(F)nc1F ZINC001466645475 1183216964 /nfs/dbraw/zinc/21/69/64/1183216964.db2.gz ZIGPBUUWNRUZFC-UHFFFAOYSA-N -1 1 313.691 3.041 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)c1ccc(Cl)cc1 ZINC001472316445 1183634488 /nfs/dbraw/zinc/63/44/88/1183634488.db2.gz RRJGSCWJMUYHTG-UHFFFAOYSA-N -1 1 324.163 3.198 20 10 DGCDMM CN(Cc1ccc(Cl)s1)C(=O)c1c([O-])c(O)ccc1F ZINC001472475953 1183648111 /nfs/dbraw/zinc/64/81/11/1183648111.db2.gz BVQUOCZNISXCHS-UHFFFAOYSA-N -1 1 315.753 3.224 20 10 DGCDMM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])c2ccccc2NC1=O ZINC001474523211 1183934554 /nfs/dbraw/zinc/93/45/54/1183934554.db2.gz SFBRLUNPFRHMII-SNVBAGLBSA-N -1 1 318.323 3.265 20 10 DGCDMM Cc1ccc(O)c(CNC(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001479212330 1184210316 /nfs/dbraw/zinc/21/03/16/1184210316.db2.gz MIFHUIYVODEXKC-UHFFFAOYSA-N -1 1 320.776 3.059 20 10 DGCDMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610336233 1193383216 /nfs/dbraw/zinc/38/32/16/1193383216.db2.gz PSMOFVGHAJXYMT-INIZCTEOSA-N -1 1 321.323 3.197 20 10 DGCDMM Cc1ccc([C@@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490637 1193392873 /nfs/dbraw/zinc/39/28/73/1193392873.db2.gz IVUSDTSHSROQRM-ZJUUUORDSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1c([O-])c(O)ccc1F ZINC001611257800 1193428819 /nfs/dbraw/zinc/42/88/19/1193428819.db2.gz PVESGQSHYFPBDL-ZDUSSCGKSA-N -1 1 319.307 3.183 20 10 DGCDMM COc1ccc2c(c1)N(Cc1cc(F)cc(F)c1[O-])C[C@@H](C)O2 ZINC001560775728 1189380628 /nfs/dbraw/zinc/38/06/28/1189380628.db2.gz RYAOMSIIPFXZDQ-SNVBAGLBSA-N -1 1 321.323 3.467 20 10 DGCDMM C[C@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001637226980 1194658070 /nfs/dbraw/zinc/65/80/70/1194658070.db2.gz HWZQZWAEQWAETK-NSHDSACASA-N -1 1 305.761 3.129 20 10 DGCDMM CCc1ccc(OCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001640402358 1194811173 /nfs/dbraw/zinc/81/11/73/1194811173.db2.gz RDPNXRLEHQYCSY-UHFFFAOYSA-N -1 1 319.788 3.303 20 10 DGCDMM CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001640402638 1194811351 /nfs/dbraw/zinc/81/13/51/1194811351.db2.gz XEIJGVFQZQDDEI-UHFFFAOYSA-N -1 1 304.777 3.042 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ncc(Cl)s1 ZINC001648609101 1195313010 /nfs/dbraw/zinc/31/30/10/1195313010.db2.gz RMFRVYSAXIKJPB-UHFFFAOYSA-N -1 1 303.170 3.086 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1nc(Cl)ccc1F ZINC001648606242 1195313380 /nfs/dbraw/zinc/31/33/80/1195313380.db2.gz LICANZZKCGEUQU-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM CN1C(=O)COc2cccc(NCc3cccc(Cl)c3[O-])c21 ZINC001653012844 1195679938 /nfs/dbraw/zinc/67/99/38/1195679938.db2.gz PBOSBKBPNQLFDA-UHFFFAOYSA-N -1 1 318.760 3.013 20 10 DGCDMM Nc1ccc(Cl)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001653566850 1195735500 /nfs/dbraw/zinc/73/55/00/1195735500.db2.gz CIYGQUNBOPIJNK-UHFFFAOYSA-N -1 1 311.168 3.211 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C(F)(F)c1ccccc1 ZINC001653567137 1195735525 /nfs/dbraw/zinc/73/55/25/1195735525.db2.gz LZZMSYPQITVFKN-UHFFFAOYSA-N -1 1 311.715 3.454 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](C2CCC2)CC1 ZINC001654783265 1195840261 /nfs/dbraw/zinc/84/02/61/1195840261.db2.gz MIRMZSHRXVOIJC-LBPRGKRZSA-N -1 1 307.365 3.279 20 10 DGCDMM Cn1nnc2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC001656513214 1196046239 /nfs/dbraw/zinc/04/62/39/1196046239.db2.gz HOPUVGTVFIGVTE-UHFFFAOYSA-N -1 1 306.728 3.079 20 10 DGCDMM CCCNC(=O)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001656816927 1196073283 /nfs/dbraw/zinc/07/32/83/1196073283.db2.gz WBPFWQYUWYRYGB-UHFFFAOYSA-N -1 1 320.339 3.422 20 10 DGCDMM Cc1nc2ccc(NCc3cc(Cl)cc(F)c3[O-])cn2n1 ZINC001657577926 1196157175 /nfs/dbraw/zinc/15/71/75/1196157175.db2.gz SICWOGBECPYZOI-UHFFFAOYSA-N -1 1 306.728 3.148 20 10 DGCDMM CN1Cc2c(cccc2NCc2cc(Cl)c(F)cc2[O-])C1=O ZINC001658330583 1196243007 /nfs/dbraw/zinc/24/30/07/1196243007.db2.gz PNXHJWUATNVGQI-UHFFFAOYSA-N -1 1 320.751 3.382 20 10 DGCDMM CC1=CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001659022441 1196332810 /nfs/dbraw/zinc/33/28/10/1196332810.db2.gz RYWZVXWNBXESPC-UHFFFAOYSA-N -1 1 300.171 3.446 20 10 DGCDMM CC[C@H]1C[N@H+](CC)CCN1Cc1c(O)ccc(Cl)c1F ZINC001659209875 1196358615 /nfs/dbraw/zinc/35/86/15/1196358615.db2.gz HAJCXRVZCQSUBR-NSHDSACASA-N -1 1 300.805 3.101 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CNCC(F)(F)C1(O)CCCCC1 ZINC001660878542 1196537819 /nfs/dbraw/zinc/53/78/19/1196537819.db2.gz WODWQQYUODMOOZ-UHFFFAOYSA-N -1 1 321.314 3.091 20 10 DGCDMM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC001663314721 1196833546 /nfs/dbraw/zinc/83/35/46/1196833546.db2.gz AQTYQBYLTKWMRK-VIFPVBQESA-N -1 1 308.284 3.429 20 10 DGCDMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001601976600 971099134 /nfs/dbraw/zinc/09/91/34/971099134.db2.gz MXSFSIFCWUTRBK-SNVBAGLBSA-N -1 1 315.772 3.262 20 10 DGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001589616119 987475354 /nfs/dbraw/zinc/47/53/54/987475354.db2.gz HAPAWRRZEWBLRP-GFCCVEGCSA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001589616119 987475358 /nfs/dbraw/zinc/47/53/58/987475358.db2.gz HAPAWRRZEWBLRP-GFCCVEGCSA-N -1 1 311.809 3.368 20 10 DGCDMM CO[C@@](C)(C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001159034365 1088152788 /nfs/dbraw/zinc/15/27/88/1088152788.db2.gz SJCQLNOEVVTZEX-QGZVFWFLSA-N -1 1 319.788 3.224 20 10 DGCDMM Cc1cnc(Cl)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041431 1088156349 /nfs/dbraw/zinc/15/63/49/1088156349.db2.gz MSFSONSDXXVYCU-UHFFFAOYSA-N -1 1 311.168 3.332 20 10 DGCDMM Cc1cc2ccccc2nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159277713 1088265570 /nfs/dbraw/zinc/26/55/70/1088265570.db2.gz WHABWIZFQZNHFR-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM Cc1nc(Cl)cc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001159279059 1088266991 /nfs/dbraw/zinc/26/69/91/1088266991.db2.gz JNJBJNSGDVHVCN-UHFFFAOYSA-N -1 1 306.749 3.058 20 10 DGCDMM CSc1ccnc(Cl)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279246 1088267028 /nfs/dbraw/zinc/26/70/28/1088267028.db2.gz NRHOTFHNDGTQMJ-UHFFFAOYSA-N -1 1 324.789 3.163 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCOC[C@@H]1C1CC1 ZINC001237085302 1090284370 /nfs/dbraw/zinc/28/43/70/1090284370.db2.gz XRVFHTIXGXEEHV-GFCCVEGCSA-N -1 1 302.201 3.310 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001137839753 1091220131 /nfs/dbraw/zinc/22/01/31/1091220131.db2.gz IKKARRXBEVMYKF-CYBMUJFWSA-N -1 1 315.270 3.388 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001139685507 1091641403 /nfs/dbraw/zinc/64/14/03/1091641403.db2.gz LXFHFQNNWUWFFO-GFCCVEGCSA-N -1 1 313.241 3.394 20 10 DGCDMM COC(=O)c1cccc(CN(C)Cc2c([O-])cc(F)cc2F)c1 ZINC001140584251 1091919707 /nfs/dbraw/zinc/91/97/07/1091919707.db2.gz KNPQXXVJUMXZFO-UHFFFAOYSA-N -1 1 321.323 3.089 20 10 DGCDMM Cc1cccc(N2CCN(Cc3c([O-])cc(F)cc3F)CC2)c1 ZINC001140582368 1091920385 /nfs/dbraw/zinc/92/03/85/1091920385.db2.gz HCHCVNQCVSXEAM-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM NC(=O)N=Nc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001297819943 1091970050 /nfs/dbraw/zinc/97/00/50/1091970050.db2.gz DCWZLENJTJRWPU-UHFFFAOYSA-N -1 1 320.255 3.085 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCc2nc(Cl)ccc2C1 ZINC001142524591 1092493170 /nfs/dbraw/zinc/49/31/70/1092493170.db2.gz CGUULQMGHWDILY-UHFFFAOYSA-N -1 1 310.731 3.277 20 10 DGCDMM CCOC(=O)CN(Cc1ccsc1)Cc1cccc(F)c1[O-] ZINC001138129759 1095900943 /nfs/dbraw/zinc/90/09/43/1095900943.db2.gz VCNSEQVDTUGXPW-UHFFFAOYSA-N -1 1 323.389 3.158 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1(C2CC2)CCC1 ZINC001224669967 1096261207 /nfs/dbraw/zinc/26/12/07/1096261207.db2.gz GEZGRQQUDRLZJO-UHFFFAOYSA-N -1 1 308.809 3.425 20 10 DGCDMM CC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228113747 1097053175 /nfs/dbraw/zinc/05/31/75/1097053175.db2.gz DNDRWMNJLMSQEF-JTQLQIEISA-N -1 1 302.326 3.212 20 10 DGCDMM O=C1c2ccccc2C(=O)c2c(OC3CCCC3)cc([O-])c(O)c21 ZINC001229196409 1097275424 /nfs/dbraw/zinc/27/54/24/1097275424.db2.gz DGHBGJNDYFKZBS-UHFFFAOYSA-N -1 1 324.332 3.195 20 10 DGCDMM CC[C@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196584 1097275601 /nfs/dbraw/zinc/27/56/01/1097275601.db2.gz FWBLOKLVLXNYNB-VIFPVBQESA-N -1 1 312.321 3.051 20 10 DGCDMM Cc1nocc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001212722854 1097417301 /nfs/dbraw/zinc/41/73/01/1097417301.db2.gz GVDOMKCQINZLCC-UHFFFAOYSA-N -1 1 320.304 3.208 20 10 DGCDMM O=C([O-])c1ccc(O)c(CN2CCc3cc(Cl)ccc3C2)c1 ZINC001231563859 1097780004 /nfs/dbraw/zinc/78/00/04/1097780004.db2.gz FMNWWUCBVIEDEJ-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM COc1ccc2c(c1)CN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233074820 1098219702 /nfs/dbraw/zinc/21/97/02/1098219702.db2.gz XQOKVNMGJGQZRL-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](CCC)C(=O)OCC ZINC001233497515 1098351799 /nfs/dbraw/zinc/35/17/99/1098351799.db2.gz OEOLPVIMWDSMSO-HNNXBMFYSA-N -1 1 324.373 3.191 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@H]1CCc2ccccc2O1 ZINC001234473829 1098564794 /nfs/dbraw/zinc/56/47/94/1098564794.db2.gz KLGCKKJNAITZJP-CYBMUJFWSA-N -1 1 314.337 3.073 20 10 DGCDMM COc1cc([O-])c(CN2CC[C@@H](CF)C(F)(F)C2)c(Cl)c1 ZINC001236800465 1099795044 /nfs/dbraw/zinc/79/50/44/1099795044.db2.gz ZETFUTJUOQVPSW-VIFPVBQESA-N -1 1 323.742 3.481 20 10 DGCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001189232408 1099985305 /nfs/dbraw/zinc/98/53/05/1099985305.db2.gz JYVAFUCUSZRPAP-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM COc1cc2c(cn1)CCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237944854 1100299922 /nfs/dbraw/zinc/29/99/22/1100299922.db2.gz WSKNFBDJDUNWAO-UHFFFAOYSA-N -1 1 322.767 3.147 20 10 DGCDMM Cc1c(C)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)ccc1O ZINC001192034455 1100565139 /nfs/dbraw/zinc/56/51/39/1100565139.db2.gz GTLFDOYFVZOOIL-UHFFFAOYSA-N -1 1 318.609 3.078 20 10 DGCDMM O=C(Nc1cnc2occc2c1)c1ccc(O)c([O-])c1Cl ZINC001193220096 1100718292 /nfs/dbraw/zinc/71/82/92/1100718292.db2.gz QNWTXWADSONXLS-UHFFFAOYSA-N -1 1 304.689 3.145 20 10 DGCDMM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(O)c([O-])c1Cl ZINC001193236467 1100719589 /nfs/dbraw/zinc/71/95/89/1100719589.db2.gz DPLFPPOFDZVJJZ-SSDOTTSWSA-N -1 1 305.708 3.059 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H](C(F)(F)F)CC1 ZINC000687288328 1103091276 /nfs/dbraw/zinc/09/12/76/1103091276.db2.gz AGGGXVVYXBEJKI-LLVKDONJSA-N -1 1 309.715 3.199 20 10 DGCDMM Cc1cccc(C)c1CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC001306902821 1110253105 /nfs/dbraw/zinc/25/31/05/1110253105.db2.gz XMZWUAQEXICZQS-UHFFFAOYSA-N -1 1 303.333 3.126 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC001305069269 1111192770 /nfs/dbraw/zinc/19/27/70/1111192770.db2.gz APGWYKZIRWENOV-UHFFFAOYSA-N -1 1 324.695 3.023 20 10 DGCDMM C[C@H](Sc1ccccn1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001305085211 1111193042 /nfs/dbraw/zinc/19/30/42/1111193042.db2.gz SYRSRAMGTRNVOG-JTQLQIEISA-N -1 1 322.817 3.238 20 10 DGCDMM Cc1cnc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000080346463 192149861 /nfs/dbraw/zinc/14/98/61/192149861.db2.gz XEZYOUGQPGGQEI-UHFFFAOYSA-N -1 1 307.375 3.090 20 10 DGCDMM COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610905 130143378 /nfs/dbraw/zinc/14/33/78/130143378.db2.gz VTVFBHRIDKKGAY-BXUZGUMPSA-N -1 1 320.345 3.240 20 10 DGCDMM CCN(CC)c1ccc(C=C2SC(=S)[N-]C2=O)cc1F ZINC000172680483 432226706 /nfs/dbraw/zinc/22/67/06/432226706.db2.gz DOYNDINDRCTJGQ-XYOKQWHBSA-N -1 1 310.419 3.161 20 10 DGCDMM CC(C)(C)c1nnc(CNCc2cccc(Cl)c2[O-])s1 ZINC000271821207 432426898 /nfs/dbraw/zinc/42/68/98/432426898.db2.gz MYOLNQLCRSWXQQ-UHFFFAOYSA-N -1 1 311.838 3.484 20 10 DGCDMM C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ncnn1C ZINC000276634586 432823413 /nfs/dbraw/zinc/82/34/13/432823413.db2.gz OBZRRQHXPMKTBH-HTQZYQBOSA-N -1 1 315.204 3.239 20 10 DGCDMM CC(C)[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277558611 432860677 /nfs/dbraw/zinc/86/06/77/432860677.db2.gz PCRLBIQHGJKROC-JTQLQIEISA-N -1 1 314.223 3.453 20 10 DGCDMM O=C(N[C@H]1CCCc2sccc21)c1c(F)ccc(O)c1[O-] ZINC000296432727 432907882 /nfs/dbraw/zinc/90/78/82/432907882.db2.gz YOYVTNYXVHVPKV-JTQLQIEISA-N -1 1 307.346 3.106 20 10 DGCDMM CCOCc1nc([C@H](C)N[C@@H](CC)c2ccc(F)cc2[O-])no1 ZINC000290034564 432982893 /nfs/dbraw/zinc/98/28/93/432982893.db2.gz DCQVDKYKMDZPJG-GWCFXTLKSA-N -1 1 323.368 3.253 20 10 DGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000375333999 433434372 /nfs/dbraw/zinc/43/43/72/433434372.db2.gz AYWFQAOLQHAIGB-HZPDHXFCSA-N -1 1 323.820 3.392 20 10 DGCDMM C[C@@H]1[C@@H](C(=O)NCc2cccc(Br)c2[O-])[C@@H]1C1CC1 ZINC000529170887 435033865 /nfs/dbraw/zinc/03/38/65/435033865.db2.gz MAPQNCOENCBMRG-AQUOVQTQSA-N -1 1 324.218 3.063 20 10 DGCDMM C[C@@H]1[C@H](C(=O)NCc2cccc(Br)c2[O-])[C@H]1C1CC1 ZINC000529170890 340747529 /nfs/dbraw/zinc/74/75/29/340747529.db2.gz MAPQNCOENCBMRG-CKLFPEKLSA-N -1 1 324.218 3.063 20 10 DGCDMM COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000729277587 575231666 /nfs/dbraw/zinc/23/16/66/575231666.db2.gz BRNYGVHXHISBPE-VIFPVBQESA-N -1 1 321.760 3.251 20 10 DGCDMM CCN(CC)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1F ZINC000749384989 575650208 /nfs/dbraw/zinc/65/02/08/575650208.db2.gz BARDMTROUVIBGR-UHFFFAOYSA-N -1 1 324.293 3.189 20 10 DGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H](C)O1 ZINC000750045478 575699893 /nfs/dbraw/zinc/69/98/93/575699893.db2.gz RKIUDVUBDGTSPN-QMTHXVAHSA-N -1 1 311.809 3.248 20 10 DGCDMM Cc1noc(C)c1C(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759756 617656575 /nfs/dbraw/zinc/65/65/75/617656575.db2.gz QJUSWMJSVQRARO-UHFFFAOYSA-N -1 1 322.792 3.244 20 10 DGCDMM CO[C@@H]1CCC[C@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759128 617656591 /nfs/dbraw/zinc/65/65/91/617656591.db2.gz DDNTWSTYTKHZMK-WCQYABFASA-N -1 1 311.809 3.257 20 10 DGCDMM CC(=O)[C@H](C)CCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760509 617656970 /nfs/dbraw/zinc/65/69/70/617656970.db2.gz RPVPDZGEEFALNO-LLVKDONJSA-N -1 1 311.809 3.447 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000890761262 617657350 /nfs/dbraw/zinc/65/73/50/617657350.db2.gz OCLBNIKHQUUJCC-NUEKZKHPSA-N -1 1 313.784 3.248 20 10 DGCDMM O=C(C[C@H]1CCCC1(F)F)NCc1cccc(Cl)c1[O-] ZINC000890762581 617657718 /nfs/dbraw/zinc/65/77/18/617657718.db2.gz GMKGGIBAIVTFRZ-SNVBAGLBSA-N -1 1 303.736 3.487 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCOC2(CCCC2)C1 ZINC000890762782 617658464 /nfs/dbraw/zinc/65/84/64/617658464.db2.gz INDHVBIZMYQLEI-LBPRGKRZSA-N -1 1 323.820 3.401 20 10 DGCDMM CCO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCCC1 ZINC000890763360 617659052 /nfs/dbraw/zinc/65/90/52/617659052.db2.gz UBVRMZFDGDNLNF-OAHLLOKOSA-N -1 1 311.809 3.257 20 10 DGCDMM C[C@@H](Cc1ccco1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000891909745 617924845 /nfs/dbraw/zinc/92/48/45/617924845.db2.gz YOQDLUQCYCFPTD-JTQLQIEISA-N -1 1 308.765 3.069 20 10 DGCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)c(F)cc1[O-] ZINC000854243938 620787695 /nfs/dbraw/zinc/78/76/95/620787695.db2.gz IOPMITHXZPEHOG-UHFFFAOYSA-N -1 1 303.761 3.117 20 10 DGCDMM Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000892972361 618373443 /nfs/dbraw/zinc/37/34/43/618373443.db2.gz XGSWMASJHGQISR-MRVPVSSYSA-N -1 1 323.780 3.211 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCC1(F)F ZINC000895179457 618568230 /nfs/dbraw/zinc/56/82/30/618568230.db2.gz QPQPAIWNSPKCMG-JTQLQIEISA-N -1 1 318.751 3.280 20 10 DGCDMM CC(C)OCCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894126437 618716011 /nfs/dbraw/zinc/71/60/11/618716011.db2.gz QHCFJMQSHGKKCD-UHFFFAOYSA-N -1 1 314.813 3.050 20 10 DGCDMM Cc1cc(CNC(=O)NCc2cccc(Cl)c2[O-])cc(C)n1 ZINC000895411260 618780556 /nfs/dbraw/zinc/78/05/56/618780556.db2.gz MRUCYBBMCVRBOE-UHFFFAOYSA-N -1 1 319.792 3.057 20 10 DGCDMM CC(C)(C)OCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895768127 618828964 /nfs/dbraw/zinc/82/89/64/618828964.db2.gz WZGCKALIWIAADI-UHFFFAOYSA-N -1 1 314.813 3.050 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ncnc2c1ncn2C1CC1 ZINC000897391903 619102415 /nfs/dbraw/zinc/10/24/15/619102415.db2.gz DYXJFIWURAIMSK-UHFFFAOYSA-N -1 1 315.764 3.132 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1cnc(C2CC2)nc1 ZINC000902090114 619588392 /nfs/dbraw/zinc/58/83/92/619588392.db2.gz KDOLRKFQDVMDAP-UHFFFAOYSA-N -1 1 320.190 3.434 20 10 DGCDMM O=C(Nc1cc(Br)ccc1[O-])C1=CC(=O)CS1 ZINC000754443127 621511097 /nfs/dbraw/zinc/51/10/97/621511097.db2.gz YIWMYRRUUXNNRZ-UHFFFAOYSA-N -1 1 314.160 3.174 20 10 DGCDMM CC(C)Cn1ccnc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756596382 621651866 /nfs/dbraw/zinc/65/18/66/621651866.db2.gz CIWDXCRXMXZLGB-LBPRGKRZSA-N -1 1 318.377 3.004 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C3CCC3)C2)c1[O-] ZINC000839622348 621701339 /nfs/dbraw/zinc/70/13/39/621701339.db2.gz BUZVSDISEGUJNU-MRXNPFEDSA-N -1 1 323.820 3.249 20 10 DGCDMM Cc1cc(C)nc(NCc2cccc(Br)c2[O-])n1 ZINC000764935558 622233827 /nfs/dbraw/zinc/23/38/27/622233827.db2.gz WWQHSSDLSZTFIN-UHFFFAOYSA-N -1 1 308.179 3.174 20 10 DGCDMM C/C(=C/C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000765732053 622284924 /nfs/dbraw/zinc/28/49/24/622284924.db2.gz OVVIZTZYHLPJNK-CLFYSBASSA-N -1 1 310.191 3.127 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(c2ccccc2)CC1 ZINC000789953641 625586730 /nfs/dbraw/zinc/58/67/30/625586730.db2.gz XATJBSOBHXNEJK-UHFFFAOYSA-N -1 1 315.344 3.257 20 10 DGCDMM Cc1cc(C)cc([C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC000789974390 625589776 /nfs/dbraw/zinc/58/97/76/625589776.db2.gz YOQRJXWTXJOGIV-LLVKDONJSA-N -1 1 303.333 3.345 20 10 DGCDMM Cc1cc(Br)cc(C=C2SC(=S)[N-]C2=O)c1 ZINC000772175975 622861796 /nfs/dbraw/zinc/86/17/96/622861796.db2.gz IMIKPHQZMBFHQB-UITAMQMPSA-N -1 1 314.229 3.246 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1cccc(-n2ccnn2)c1 ZINC000775749221 623324105 /nfs/dbraw/zinc/32/41/05/623324105.db2.gz FDJQAIYNFZEOAX-UHFFFAOYSA-N -1 1 300.749 3.238 20 10 DGCDMM [O-]c1c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541522 623934047 /nfs/dbraw/zinc/93/40/47/623934047.db2.gz PKAGPYXRTBZAFF-CJNGLKHVSA-N -1 1 309.356 3.204 20 10 DGCDMM O=C(COC(=O)c1sccc1C1CC1)c1ccc([O-])c(O)c1 ZINC000783230755 624327568 /nfs/dbraw/zinc/32/75/68/624327568.db2.gz NAMBDBYKSJJHDI-UHFFFAOYSA-N -1 1 318.350 3.076 20 10 DGCDMM CC1(C)CCC(=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000784337583 624505643 /nfs/dbraw/zinc/50/56/43/624505643.db2.gz XQRNWZYQFKIIBY-UHFFFAOYSA-N -1 1 318.369 3.350 20 10 DGCDMM CCCCC[C@@H](CC)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784543647 624546499 /nfs/dbraw/zinc/54/64/99/624546499.db2.gz HLMPMGVAALAZJX-GFCCVEGCSA-N -1 1 308.374 3.430 20 10 DGCDMM C[C@@H](CCC(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784694283 624573190 /nfs/dbraw/zinc/57/31/90/624573190.db2.gz CXPUWQINADSWLO-NSHDSACASA-N -1 1 308.374 3.286 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)OCC(F)(F)F)c1[O-] ZINC000879513024 624574706 /nfs/dbraw/zinc/57/47/06/624574706.db2.gz AGZVOWVXLPTUKX-UHFFFAOYSA-N -1 1 311.687 3.174 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1O[C@H]1CCOC1 ZINC000883042308 625908254 /nfs/dbraw/zinc/90/82/54/625908254.db2.gz SBHWLMBZWFDGQH-ZDUSSCGKSA-N -1 1 321.323 3.450 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc2c1OCCCO2 ZINC000883199799 625968537 /nfs/dbraw/zinc/96/85/37/625968537.db2.gz PGKFHJVAVQBUEP-UHFFFAOYSA-N -1 1 307.296 3.444 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(C2(O)COC2)cc1 ZINC000808433587 626824344 /nfs/dbraw/zinc/82/43/44/626824344.db2.gz XSFPMNBOYVRBQL-UHFFFAOYSA-N -1 1 323.751 3.015 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(C2(O)COC2)cc1 ZINC000809781461 626952385 /nfs/dbraw/zinc/95/23/85/626952385.db2.gz SHCKPDRIVRYGTN-UHFFFAOYSA-N -1 1 323.751 3.015 20 10 DGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCCc3occc3C2)c1[O-] ZINC000809793227 626954624 /nfs/dbraw/zinc/95/46/24/626954624.db2.gz UQJKAETVXCZLRX-UHFFFAOYSA-N -1 1 322.748 3.495 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](CO)Cc2ccccc21 ZINC000814169720 627546107 /nfs/dbraw/zinc/54/61/07/627546107.db2.gz LTTKDVLFNKUPIA-LLVKDONJSA-N -1 1 321.779 3.356 20 10 DGCDMM COCc1ccccc1C=C(C)C=C1SC(=S)[N-]C1=O ZINC000814187093 627548631 /nfs/dbraw/zinc/54/86/31/627548631.db2.gz ZENAKCQFFHKOAB-OOHIBURESA-N -1 1 305.424 3.268 20 10 DGCDMM Cn1c(=O)oc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816564055 627808566 /nfs/dbraw/zinc/80/85/66/627808566.db2.gz SGFFFAJFKQOQPL-UHFFFAOYSA-N -1 1 322.723 3.242 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000816594270 627812875 /nfs/dbraw/zinc/81/28/75/627812875.db2.gz WJTVEIWDIKARSN-GFCCVEGCSA-N -1 1 307.752 3.108 20 10 DGCDMM CC1(C)CN(C(=O)c2c([O-])c(O)ccc2F)Cc2ccccc21 ZINC000827446738 628959639 /nfs/dbraw/zinc/95/96/39/628959639.db2.gz HCCZCSGXGRQEMN-UHFFFAOYSA-N -1 1 315.344 3.171 20 10 DGCDMM CC1(C)Cc2n[nH]cc2CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000828014097 629014882 /nfs/dbraw/zinc/01/48/82/629014882.db2.gz UELBRUQWNWAYMC-UHFFFAOYSA-N -1 1 323.799 3.492 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000840997718 630393179 /nfs/dbraw/zinc/39/31/79/630393179.db2.gz GPORQYNXXOOKGM-SWHYSGLUSA-N -1 1 309.793 3.263 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OCC23CCC3)c1[O-] ZINC000844422782 630727863 /nfs/dbraw/zinc/72/78/63/630727863.db2.gz PFFBMXFDWLWZCL-NSHDSACASA-N -1 1 323.820 3.392 20 10 DGCDMM COc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1O ZINC000105652340 630950561 /nfs/dbraw/zinc/95/05/61/630950561.db2.gz KSXRBXVIVKWCEZ-UHFFFAOYSA-N -1 1 323.348 3.190 20 10 DGCDMM CC[C@@H]1CC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000793823989 661058999 /nfs/dbraw/zinc/05/89/99/661058999.db2.gz QXGOICCFOBHSTH-CQSZACIVSA-N -1 1 311.381 3.313 20 10 DGCDMM CC[C@@H]1CC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000793823989 661059002 /nfs/dbraw/zinc/05/90/02/661059002.db2.gz QXGOICCFOBHSTH-CQSZACIVSA-N -1 1 311.381 3.313 20 10 DGCDMM COc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])c(O)c1 ZINC000794376893 661081931 /nfs/dbraw/zinc/08/19/31/661081931.db2.gz LJJWSTBNNONNDN-UHFFFAOYSA-N -1 1 323.348 3.190 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccccc1OC1CCCC1 ZINC000255112791 655600700 /nfs/dbraw/zinc/60/07/00/655600700.db2.gz LJECKKIRMGQCMQ-UKTHLTGXSA-N -1 1 305.424 3.497 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnn(C2CCC2)c1 ZINC000934298256 661694678 /nfs/dbraw/zinc/69/46/78/661694678.db2.gz YSCRGLMCPXIJFN-UHFFFAOYSA-N -1 1 320.780 3.289 20 10 DGCDMM O=C1N[C@H](c2cccc(Br)c2[O-])Nc2ccccc21 ZINC000048622093 661893456 /nfs/dbraw/zinc/89/34/56/661893456.db2.gz RKNNWEQEMYSHGH-CYBMUJFWSA-N -1 1 319.158 3.009 20 10 DGCDMM C[S@](=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001620852514 1192455983 /nfs/dbraw/zinc/45/59/83/1192455983.db2.gz WYBHSLWDEWKZHU-NRFANRHFSA-N -1 1 311.353 3.161 20 10 DGCDMM Cc1csc([C@H](C)N[C@@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654040 1192888631 /nfs/dbraw/zinc/88/86/31/1192888631.db2.gz DAGFMZSXJYAIJA-UWVGGRQHSA-N -1 1 306.387 3.267 20 10 DGCDMM C[C@@H](OC1CCCCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001333625851 1178641166 /nfs/dbraw/zinc/64/11/66/1178641166.db2.gz OHAUDKVKUNXJLE-LLVKDONJSA-N -1 1 311.809 3.400 20 10 DGCDMM Cn1c2ccc(F)cc2c(CN2CCC[C@@](C)(F)C2)c1C(=O)[O-] ZINC001600901990 1192910088 /nfs/dbraw/zinc/91/00/88/1192910088.db2.gz TWOLYOIWVYWQSX-QGZVFWFLSA-N -1 1 322.355 3.340 20 10 DGCDMM O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001602421357 1192978783 /nfs/dbraw/zinc/97/87/83/1192978783.db2.gz BJBHNLUZSGSVAX-UHFFFAOYSA-N -1 1 303.745 3.260 20 10 DGCDMM O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001602421357 1192978787 /nfs/dbraw/zinc/97/87/87/1192978787.db2.gz BJBHNLUZSGSVAX-UHFFFAOYSA-N -1 1 303.745 3.260 20 10 DGCDMM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCC3=O)c([O-])c1O ZINC001452163134 1182283766 /nfs/dbraw/zinc/28/37/66/1182283766.db2.gz IYEADOVGLCJVPX-UHFFFAOYSA-N -1 1 311.337 3.178 20 10 DGCDMM O=C(/C=C\c1ccnc(Cl)c1)NCc1cccc(Cl)c1[O-] ZINC001457036728 1182440529 /nfs/dbraw/zinc/44/05/29/1182440529.db2.gz NCBDPTGEQGDMEB-PLNGDYQASA-N -1 1 323.179 3.424 20 10 DGCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001610737858 1193405925 /nfs/dbraw/zinc/40/59/25/1193405925.db2.gz DFVAOIURWUPKNL-INIZCTEOSA-N -1 1 311.381 3.232 20 10 DGCDMM O=C(CSc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001558756784 1189146291 /nfs/dbraw/zinc/14/62/91/1189146291.db2.gz BHJIGBRKPLZREY-UHFFFAOYSA-N -1 1 307.802 3.454 20 10 DGCDMM C[C@@]1(c2ccccc2)CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001621180922 1193813194 /nfs/dbraw/zinc/81/31/94/1193813194.db2.gz HIAZBEVYWVGHDW-SFHVURJKSA-N -1 1 319.351 3.418 20 10 DGCDMM O=C(C[C@H]1Cc2ccccc2O1)NCc1cccc(Cl)c1[O-] ZINC001648609419 1195313346 /nfs/dbraw/zinc/31/33/46/1195313346.db2.gz XXCKJTHGBMJDTM-CYBMUJFWSA-N -1 1 317.772 3.056 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1c2ccccc2C[C@H]1CO ZINC001652737262 1195642982 /nfs/dbraw/zinc/64/29/82/1195642982.db2.gz RHAGLFRURLWYTC-NSHDSACASA-N -1 1 307.752 3.108 20 10 DGCDMM CCC[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654285889 1195791097 /nfs/dbraw/zinc/79/10/97/1195791097.db2.gz DECSBTGXSQBOCP-CYBMUJFWSA-N -1 1 317.360 3.378 20 10 DGCDMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1c([O-])c(O)ccc1F ZINC001654543286 1195815541 /nfs/dbraw/zinc/81/55/41/1195815541.db2.gz PVESGQSHYFPBDL-CYBMUJFWSA-N -1 1 319.307 3.183 20 10 DGCDMM Cn1nccc1[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001659039970 1196335601 /nfs/dbraw/zinc/33/56/01/1196335601.db2.gz GKTPWDJPGGSMOW-OAHLLOKOSA-N -1 1 307.344 3.131 20 10 DGCDMM COC(=O)c1cc(NCc2cc(F)cc(F)c2[O-])ccc1C ZINC001659288144 1196367585 /nfs/dbraw/zinc/36/75/85/1196367585.db2.gz CWAWLTNJEJANRA-UHFFFAOYSA-N -1 1 307.296 3.378 20 10 DGCDMM [O-]c1c(F)c(F)ccc1CNCc1cc(F)cnc1Cl ZINC001659286243 1196368378 /nfs/dbraw/zinc/36/83/78/1196368378.db2.gz BRVUTMSLDKYOQW-UHFFFAOYSA-N -1 1 302.683 3.148 20 10 DGCDMM [O-]c1c(CNCc2noc3cc(F)ccc23)ccc(F)c1F ZINC001659893445 1196426144 /nfs/dbraw/zinc/42/61/44/1196426144.db2.gz AWDAFFNTMGIFJY-UHFFFAOYSA-N -1 1 308.259 3.241 20 10 DGCDMM C[S@@](=O)Cc1ccccc1NCc1cc(F)cc(F)c1[O-] ZINC001662150409 1196686408 /nfs/dbraw/zinc/68/64/08/1196686408.db2.gz QRKRNAIPHJYBSB-OAQYLSRUSA-N -1 1 311.353 3.161 20 10 DGCDMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001595019592 951312169 /nfs/dbraw/zinc/31/21/69/951312169.db2.gz UPFKUTALZJWLGL-SNVBAGLBSA-N -1 1 315.772 3.262 20 10 DGCDMM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086752843 957981401 /nfs/dbraw/zinc/98/14/01/957981401.db2.gz UZCSBXJMVNLLBB-QMMMGPOBSA-N -1 1 306.189 3.384 20 10 DGCDMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001573823080 960985552 /nfs/dbraw/zinc/98/55/52/960985552.db2.gz YHJZUFBRWLZVNO-OAHLLOKOSA-N -1 1 315.772 3.262 20 10 DGCDMM Cc1cc([O-])c(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001605216596 972961871 /nfs/dbraw/zinc/96/18/71/972961871.db2.gz GRWCXPWHNKAJPO-OAHLLOKOSA-N -1 1 319.788 3.140 20 10 DGCDMM CCN(CC)c1ccc(CN(C)Cc2occc2C(=O)[O-])cc1 ZINC001596290079 983711153 /nfs/dbraw/zinc/71/11/53/983711153.db2.gz ZDOKVXGURXLXRS-UHFFFAOYSA-N -1 1 316.401 3.456 20 10 DGCDMM CN(Cc1ccco1)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001598531971 992792935 /nfs/dbraw/zinc/79/29/35/992792935.db2.gz IDCDXIAVNNCPIO-UHFFFAOYSA-N -1 1 316.332 3.241 20 10 DGCDMM C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198722 994174828 /nfs/dbraw/zinc/17/48/28/994174828.db2.gz UVHRBLDPVJEQPU-YUMQZZPRSA-N -1 1 310.350 3.098 20 10 DGCDMM CN(Cc1cnn(C)c1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078005 1099958786 /nfs/dbraw/zinc/95/87/86/1099958786.db2.gz MFHQCCXMCAUQIC-UHFFFAOYSA-N -1 1 300.189 3.065 20 10 DGCDMM O=C(CNc1cc(F)cc2cccnc21)c1ccc([O-])c(O)c1 ZINC001170315442 1082345524 /nfs/dbraw/zinc/34/55/24/1082345524.db2.gz YVBBUHMSMRUBKT-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM O=Cc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001159041289 1088155803 /nfs/dbraw/zinc/15/58/03/1088155803.db2.gz GZGQSNUBHNMOBP-HJWRWDBZSA-N -1 1 315.756 3.188 20 10 DGCDMM Cc1sc(Cl)nc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041716 1088156100 /nfs/dbraw/zinc/15/61/00/1088156100.db2.gz ZGRRHQRJOTZEMD-UHFFFAOYSA-N -1 1 317.197 3.394 20 10 DGCDMM Cc1ccc2oc(CNC(=O)c3c(F)ccc(O)c3[O-])cc2c1 ZINC001161646462 1089330897 /nfs/dbraw/zinc/33/08/97/1089330897.db2.gz RSLLKMQPFAAIHD-UHFFFAOYSA-N -1 1 315.300 3.222 20 10 DGCDMM C[C@@H](CC(N)=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001203821548 1090813555 /nfs/dbraw/zinc/81/35/55/1090813555.db2.gz WMRFFDXFDZCKJY-JTQLQIEISA-N -1 1 320.339 3.261 20 10 DGCDMM Cc1nc([C@@H]2COCCN2Cc2ccc(Cl)cc2[O-])cs1 ZINC001140467538 1091877878 /nfs/dbraw/zinc/87/78/78/1091877878.db2.gz SLKGETQDJRFEGV-AWEZNQCLSA-N -1 1 324.833 3.384 20 10 DGCDMM Cc1nc([C@H]2COCCN2Cc2ccc(Cl)cc2[O-])cs1 ZINC001140467539 1091879466 /nfs/dbraw/zinc/87/94/66/1091879466.db2.gz SLKGETQDJRFEGV-CQSZACIVSA-N -1 1 324.833 3.384 20 10 DGCDMM [O-]c1cc(F)c(CN2CCCc3cc(O)c(O)cc3C2)cc1F ZINC001144659996 1095761078 /nfs/dbraw/zinc/76/10/78/1095761078.db2.gz TXUJFUGWKFMJOL-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM O=C(Nc1cccc(N2CCCC2)c1)c1ccc(F)c([O-])c1 ZINC001626162730 1096067887 /nfs/dbraw/zinc/06/78/87/1096067887.db2.gz YWSOTMZFOGTFEE-UHFFFAOYSA-N -1 1 300.333 3.384 20 10 DGCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CCCC1 ZINC001228116398 1097054373 /nfs/dbraw/zinc/05/43/73/1097054373.db2.gz ZVPILPUYIGEEEH-UHFFFAOYSA-N -1 1 314.337 3.356 20 10 DGCDMM CCN(Cc1cc(C(=O)[O-])ccc1O)Cc1cccc(F)c1F ZINC001231566546 1097780920 /nfs/dbraw/zinc/78/09/20/1097780920.db2.gz OQIPYOKVIFNONB-UHFFFAOYSA-N -1 1 321.323 3.391 20 10 DGCDMM Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)c([O-])cc2O)no1 ZINC001232266892 1097986743 /nfs/dbraw/zinc/98/67/43/1097986743.db2.gz FKFJTOHAHHAGGP-LBPRGKRZSA-N -1 1 323.780 3.170 20 10 DGCDMM COc1cccc([C@H](C)Oc2cc([O-])c(O)cc2C(C)=O)c1 ZINC001234473063 1098564480 /nfs/dbraw/zinc/56/44/80/1098564480.db2.gz AZPJTWPPHKFPKI-NSHDSACASA-N -1 1 302.326 3.449 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCc2c1nccc2Cl ZINC001234474373 1098564628 /nfs/dbraw/zinc/56/46/28/1098564628.db2.gz RNSGIAPXBOFCJY-CQSZACIVSA-N -1 1 319.744 3.415 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC(C(F)(F)F)C(F)(F)F ZINC001234473111 1098564826 /nfs/dbraw/zinc/56/48/26/1098564826.db2.gz BRRADSVUWLGSOQ-UHFFFAOYSA-N -1 1 318.169 3.172 20 10 DGCDMM COc1ccccc1[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473374 1098565229 /nfs/dbraw/zinc/56/52/29/1098565229.db2.gz FQGMJUWOJDAATF-LLVKDONJSA-N -1 1 302.326 3.449 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cccnc1Cl ZINC001234474277 1098565260 /nfs/dbraw/zinc/56/52/60/1098565260.db2.gz QPFHFBDEQVIGRB-SECBINFHSA-N -1 1 307.733 3.489 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@H](C)Oc1ccccc1 ZINC001234476721 1098565785 /nfs/dbraw/zinc/56/57/85/1098565785.db2.gz OIZDZFYGYSQZTQ-NSHDSACASA-N -1 1 302.326 3.147 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1c[nH]nc1-c1ccccn1 ZINC001180479250 1099419593 /nfs/dbraw/zinc/41/95/93/1099419593.db2.gz IZLHTMRINVEEBY-UHFFFAOYSA-N -1 1 300.749 3.443 20 10 DGCDMM COc1cc([O-])c(CN(C)CC(=O)c2ccccc2)c(Cl)c1 ZINC001236808558 1099799583 /nfs/dbraw/zinc/79/95/83/1099799583.db2.gz OPGGENARSVISGD-UHFFFAOYSA-N -1 1 319.788 3.369 20 10 DGCDMM COC(=O)[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078613 1099959399 /nfs/dbraw/zinc/95/93/99/1099959399.db2.gz VISAJUHEYUYTRP-NSHDSACASA-N -1 1 318.200 3.227 20 10 DGCDMM O=C(Nc1nc(C2CC2)cs1)c1ccc(O)c([O-])c1Cl ZINC001193210409 1100717824 /nfs/dbraw/zinc/71/78/24/1100717824.db2.gz YNAHSFTWQNHYEV-UHFFFAOYSA-N -1 1 310.762 3.337 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1O ZINC001195307918 1101118647 /nfs/dbraw/zinc/11/86/47/1101118647.db2.gz BOSFNSCCGCRWPC-UHFFFAOYSA-N -1 1 311.790 3.463 20 10 DGCDMM CC(C)(C)CCCS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001195883171 1101217411 /nfs/dbraw/zinc/21/74/11/1101217411.db2.gz VBJGCEYAXIZDNG-UHFFFAOYSA-N -1 1 319.854 3.291 20 10 DGCDMM O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(O)c1[O-] ZINC001251027692 1105622104 /nfs/dbraw/zinc/62/21/04/1105622104.db2.gz SJEFSSDRDVYGBC-UHFFFAOYSA-N -1 1 323.667 3.342 20 10 DGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(Cl)cc1 ZINC001251733105 1105688135 /nfs/dbraw/zinc/68/81/35/1105688135.db2.gz VSFKNFUKXICDAD-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC001251735658 1105688466 /nfs/dbraw/zinc/68/84/66/1105688466.db2.gz SGSNYHITFNMPJJ-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM Cc1ccc(C)c(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001254772413 1106140074 /nfs/dbraw/zinc/14/00/74/1106140074.db2.gz UOQRWXNSACLIFP-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccccc1Cl ZINC001256323043 1106406375 /nfs/dbraw/zinc/40/63/75/1106406375.db2.gz RWDDLHRKBXJVKR-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM Cc1c(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1O ZINC001259312089 1107123168 /nfs/dbraw/zinc/12/31/68/1107123168.db2.gz OJDKYPOHAHGUIX-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1cccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1C ZINC001260999415 1107341314 /nfs/dbraw/zinc/34/13/14/1107341314.db2.gz UMIIFXJIQHBQQR-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM CC(C)c1nnc2n1CCN(Cc1ccc(Cl)cc1[O-])[C@@H]2C ZINC001474762707 1107435910 /nfs/dbraw/zinc/43/59/10/1107435910.db2.gz UQEPJVRVCIWAPA-LLVKDONJSA-N -1 1 320.824 3.337 20 10 DGCDMM C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC001323829453 1108098275 /nfs/dbraw/zinc/09/82/75/1108098275.db2.gz JIJZRCLHUBFMPJ-JTQLQIEISA-N -1 1 320.339 3.261 20 10 DGCDMM [O-]c1c(Cl)cccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000179676812 432067491 /nfs/dbraw/zinc/06/74/91/432067491.db2.gz YPGLHJSRWLIUJE-UHFFFAOYSA-N -1 1 322.758 3.116 20 10 DGCDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000041371827 183187423 /nfs/dbraw/zinc/18/74/23/183187423.db2.gz GIFATVZKAOSEPS-UHFFFAOYSA-N -1 1 316.426 3.396 20 10 DGCDMM Cc1noc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000271105413 432331330 /nfs/dbraw/zinc/33/13/30/432331330.db2.gz VLWOKDVKRYPVFR-LLVKDONJSA-N -1 1 307.781 3.117 20 10 DGCDMM CC[C@](C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000152626053 432345245 /nfs/dbraw/zinc/34/52/45/432345245.db2.gz HFCYAKYVMHYFLV-AWEZNQCLSA-N -1 1 307.375 3.172 20 10 DGCDMM CCC(CC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000278447826 432895703 /nfs/dbraw/zinc/89/57/03/432895703.db2.gz UFILOHVSGSDDAE-UHFFFAOYSA-N -1 1 315.211 3.143 20 10 DGCDMM CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294847135 434149985 /nfs/dbraw/zinc/14/99/85/434149985.db2.gz ZOJIDPHQUWAQSO-OAHLLOKOSA-N -1 1 301.789 3.169 20 10 DGCDMM Cc1cccc([C@@H]2CCN(C(=O)c3c([O-])c(O)ccc3F)C2)c1 ZINC000294962899 434155851 /nfs/dbraw/zinc/15/58/51/434155851.db2.gz NOOMUSYSMFYBBT-CYBMUJFWSA-N -1 1 315.344 3.175 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccc(OC2COC2)cc1 ZINC000188850576 526328188 /nfs/dbraw/zinc/32/81/88/526328188.db2.gz GVYLMWBNLZCHLI-UHFFFAOYSA-N -1 1 305.761 3.435 20 10 DGCDMM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1F ZINC000737095170 574823431 /nfs/dbraw/zinc/82/34/31/574823431.db2.gz YWAPKIXOPVQOAS-UHFFFAOYSA-N -1 1 320.364 3.253 20 10 DGCDMM C[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196878 576168731 /nfs/dbraw/zinc/16/87/31/576168731.db2.gz PXCRECPCJSIPIV-ZDUSSCGKSA-N -1 1 311.381 3.171 20 10 DGCDMM C[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196878 576168735 /nfs/dbraw/zinc/16/87/35/576168735.db2.gz PXCRECPCJSIPIV-ZDUSSCGKSA-N -1 1 311.381 3.171 20 10 DGCDMM CC[C@@H](C)CC[C@H](O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759096 617656417 /nfs/dbraw/zinc/65/64/17/617656417.db2.gz BZIWSMOCLONTCQ-YPMHNXCESA-N -1 1 313.825 3.239 20 10 DGCDMM CC(C)[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000890759903 617657107 /nfs/dbraw/zinc/65/71/07/617657107.db2.gz VJZOYJFFSCPIAS-HNNXBMFYSA-N -1 1 318.804 3.497 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1(C(F)(F)F)CCC1 ZINC000890761003 617657112 /nfs/dbraw/zinc/65/71/12/617657112.db2.gz IBNBJVQYAVVSAZ-UHFFFAOYSA-N -1 1 307.699 3.394 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC000890762482 617657845 /nfs/dbraw/zinc/65/78/45/617657845.db2.gz DRZWKPMWYFTCHF-YOGCLGLASA-N -1 1 311.834 3.336 20 10 DGCDMM CC1(C)CO[C@H](CCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762448 617657958 /nfs/dbraw/zinc/65/79/58/617657958.db2.gz CURWDBWCNDDQLE-GFCCVEGCSA-N -1 1 311.809 3.257 20 10 DGCDMM CCn1nc(C2CC2)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763591 617659193 /nfs/dbraw/zinc/65/91/93/617659193.db2.gz YSIUXLUNBLZUCI-UHFFFAOYSA-N -1 1 319.792 3.069 20 10 DGCDMM CCSCC[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893345243 618524068 /nfs/dbraw/zinc/52/40/68/618524068.db2.gz YSYDNOYRUHYMLG-JTQLQIEISA-N -1 1 316.854 3.377 20 10 DGCDMM CCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764756406 622217980 /nfs/dbraw/zinc/21/79/80/622217980.db2.gz COSBAJUFMMHXEV-UHFFFAOYSA-N -1 1 315.211 3.144 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1ncc(Cl)cn1 ZINC000764934814 622233841 /nfs/dbraw/zinc/23/38/41/622233841.db2.gz MUDFNFSENKMANW-UHFFFAOYSA-N -1 1 314.570 3.210 20 10 DGCDMM CC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764934079 622233891 /nfs/dbraw/zinc/23/38/91/622233891.db2.gz IVFROXOFXHEWDF-UHFFFAOYSA-N -1 1 321.174 3.364 20 10 DGCDMM Cc1cnc(NCc2cccc(Br)c2[O-])nc1C ZINC000764933967 622234146 /nfs/dbraw/zinc/23/41/46/622234146.db2.gz GYFVKLFWLIIGQO-UHFFFAOYSA-N -1 1 308.179 3.174 20 10 DGCDMM COc1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000769406831 622525001 /nfs/dbraw/zinc/52/50/01/622525001.db2.gz SRPGTEZLGHLQSD-UHFFFAOYSA-N -1 1 309.163 3.170 20 10 DGCDMM CCSc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000769741351 622556434 /nfs/dbraw/zinc/55/64/34/622556434.db2.gz SQWDYYUOOJPYIE-FOWTUZBSSA-N -1 1 324.405 3.260 20 10 DGCDMM Cc1nc(-c2ccc(NCc3ccccc3O)nc2)[n-]c(=O)c1C ZINC000774523654 623155811 /nfs/dbraw/zinc/15/58/11/623155811.db2.gz IUVQHHRBJVPOBU-UHFFFAOYSA-N -1 1 322.368 3.179 20 10 DGCDMM [O-]c1c(F)c(F)ccc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000876635601 623666002 /nfs/dbraw/zinc/66/60/02/623666002.db2.gz ZHWWRDJBZFNVHB-AWEZNQCLSA-N -1 1 323.339 3.445 20 10 DGCDMM Cc1nc2sccn2c1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000876682511 623680936 /nfs/dbraw/zinc/68/09/36/623680936.db2.gz LGOWUXTXXXRZDT-UHFFFAOYSA-N -1 1 323.368 3.320 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](OC(F)F)C1 ZINC000781531391 624087857 /nfs/dbraw/zinc/08/78/57/624087857.db2.gz AMRLATAGVOJMRG-SNVBAGLBSA-N -1 1 309.715 3.388 20 10 DGCDMM CC(C)CC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000784101316 624437942 /nfs/dbraw/zinc/43/79/42/624437942.db2.gz ALVFFRAUIBOIHS-UHFFFAOYSA-N -1 1 306.358 3.040 20 10 DGCDMM CC1(C)CCCC[C@@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784336492 624503750 /nfs/dbraw/zinc/50/37/50/624503750.db2.gz FAYKZQHHGZDGKR-CYBMUJFWSA-N -1 1 320.385 3.430 20 10 DGCDMM CC(C)[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000784349514 624507477 /nfs/dbraw/zinc/50/74/77/624507477.db2.gz FCGSPIQRHWDDSW-JOCQHMNTSA-N -1 1 320.385 3.286 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc(C(F)(F)F)o1 ZINC000787788686 625052021 /nfs/dbraw/zinc/05/20/21/625052021.db2.gz BQZSERLGWMOLNM-UHFFFAOYSA-N -1 1 311.622 3.199 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1[O-] ZINC000791560428 625824903 /nfs/dbraw/zinc/82/49/03/625824903.db2.gz VYBPPLHZWBLOOR-QLJPJBMISA-N -1 1 323.820 3.248 20 10 DGCDMM CC1(C)CC(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000803214343 626598157 /nfs/dbraw/zinc/59/81/57/626598157.db2.gz SAKNGSFYKMSLRF-UHFFFAOYSA-N -1 1 312.207 3.207 20 10 DGCDMM CCc1nocc1CN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000815171318 627640937 /nfs/dbraw/zinc/64/09/37/627640937.db2.gz UEYKNYQNYYLSMF-UHFFFAOYSA-N -1 1 322.792 3.431 20 10 DGCDMM Cc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1C(N)=O ZINC000816598152 627813538 /nfs/dbraw/zinc/81/35/38/627813538.db2.gz REGHYMFEVVFZSA-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(C2(O)COC2)cc1 ZINC000816612561 627814313 /nfs/dbraw/zinc/81/43/13/627814313.db2.gz SBYFOYLZWOLESJ-UHFFFAOYSA-N -1 1 323.751 3.015 20 10 DGCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000102885157 630302136 /nfs/dbraw/zinc/30/21/36/630302136.db2.gz QPWRNQXFZOMWIY-UHFFFAOYSA-N -1 1 311.381 3.171 20 10 DGCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000102885157 630302139 /nfs/dbraw/zinc/30/21/39/630302139.db2.gz QPWRNQXFZOMWIY-UHFFFAOYSA-N -1 1 311.381 3.171 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2nc(C)no2)c1[O-] ZINC000847059932 631393854 /nfs/dbraw/zinc/39/38/54/631393854.db2.gz VRPPAHYDXNZGQB-MRVPVSSYSA-N -1 1 323.780 3.133 20 10 DGCDMM CC(C)(C)n1nccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000930926648 661439651 /nfs/dbraw/zinc/43/96/51/661439651.db2.gz ZVNUQUSOQGEPQI-UHFFFAOYSA-N -1 1 322.796 3.319 20 10 DGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000189433495 661978501 /nfs/dbraw/zinc/97/85/01/661978501.db2.gz VLWFXHFTGKXWSD-UHFFFAOYSA-N -1 1 309.362 3.203 20 10 DGCDMM Nc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001580451817 1192027812 /nfs/dbraw/zinc/02/78/12/1192027812.db2.gz DTKIAQMGEXWFIZ-UHFFFAOYSA-N -1 1 304.777 3.022 20 10 DGCDMM Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001600236017 1192816644 /nfs/dbraw/zinc/81/66/44/1192816644.db2.gz FQIPXDIGIUVSTH-GFCCVEGCSA-N -1 1 302.374 3.203 20 10 DGCDMM O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001601869458 1192948926 /nfs/dbraw/zinc/94/89/26/1192948926.db2.gz WFZLHVZFYPHRJA-OAHLLOKOSA-N -1 1 317.772 3.230 20 10 DGCDMM COc1ccc(C)cc1[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001457848112 1182483553 /nfs/dbraw/zinc/48/35/53/1182483553.db2.gz FZSHFWCKYKSIAZ-JTQLQIEISA-N -1 1 319.332 3.045 20 10 DGCDMM Cc1ccncc1/C=C/C(=O)NCc1cccc(Cl)c1[O-] ZINC001606860746 1193206251 /nfs/dbraw/zinc/20/62/51/1193206251.db2.gz RIGCTKCZSZOPHF-AATRIKPKSA-N -1 1 302.761 3.079 20 10 DGCDMM Cc1ccc(C)c(OCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001606860698 1193206635 /nfs/dbraw/zinc/20/66/35/1193206635.db2.gz QACSEVBAMPKQLT-UHFFFAOYSA-N -1 1 319.788 3.358 20 10 DGCDMM Cc1ccccc1COCC(=O)NCc1cccc(Cl)c1[O-] ZINC001472316625 1183634447 /nfs/dbraw/zinc/63/44/47/1183634447.db2.gz ACUYPIPFLIEFMI-UHFFFAOYSA-N -1 1 319.788 3.187 20 10 DGCDMM CO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001472317088 1183634476 /nfs/dbraw/zinc/63/44/76/1183634476.db2.gz UXKCCTUHUVMAGZ-OAHLLOKOSA-N -1 1 323.751 3.189 20 10 DGCDMM Cc1cc([C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)ccc1F ZINC001472567865 1183653146 /nfs/dbraw/zinc/65/31/46/1183653146.db2.gz QKGWYAIBNZOSCQ-SECBINFHSA-N -1 1 307.296 3.175 20 10 DGCDMM Cc1cc(CNCc2ccc(N3CCCC3)cc2)oc1C(=O)[O-] ZINC001607648533 1193244900 /nfs/dbraw/zinc/24/49/00/1193244900.db2.gz MTPFFNVLBUEJJA-UHFFFAOYSA-N -1 1 314.385 3.176 20 10 DGCDMM Cc1sc([C@@H]2CCCN2Cc2ccc(N)cc2)nc1C(=O)[O-] ZINC001608067226 1193277078 /nfs/dbraw/zinc/27/70/78/1193277078.db2.gz GKNKSIQEXFOVJM-ZDUSSCGKSA-N -1 1 317.414 3.069 20 10 DGCDMM O=C([O-])/C=C/c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC001608660523 1193298596 /nfs/dbraw/zinc/29/85/96/1193298596.db2.gz UJGAKKZXUSBKIT-GQCTYLIASA-N -1 1 307.733 3.026 20 10 DGCDMM O=C([O-])c1c[nH]c2cc(NCc3ccc(F)c(F)c3O)ccc21 ZINC001608832664 1193306184 /nfs/dbraw/zinc/30/61/84/1193306184.db2.gz ZDFKVZKLPFPWHT-UHFFFAOYSA-N -1 1 318.279 3.462 20 10 DGCDMM CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC001609701751 1193350246 /nfs/dbraw/zinc/35/02/46/1193350246.db2.gz IAHYQHHVLLDYDD-NSHDSACASA-N -1 1 303.761 3.116 20 10 DGCDMM Cc1ccc([C@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490635 1193392631 /nfs/dbraw/zinc/39/26/31/1193392631.db2.gz IVUSDTSHSROQRM-VHSXEESVSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C([O-])c1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC001610843391 1193412507 /nfs/dbraw/zinc/41/25/07/1193412507.db2.gz HZCKZIXKXNABCT-UHFFFAOYSA-N -1 1 321.735 3.399 20 10 DGCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc(Cl)c1F ZINC001609698607 1188446317 /nfs/dbraw/zinc/44/63/17/1188446317.db2.gz AFPCUDPLSLCMKZ-UHFFFAOYSA-N -1 1 303.761 3.117 20 10 DGCDMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1O ZINC001557966987 1189095126 /nfs/dbraw/zinc/09/51/26/1189095126.db2.gz SREZBYGRCKWMEP-SNVBAGLBSA-N -1 1 305.761 3.171 20 10 DGCDMM COCc1sccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001558757456 1189146180 /nfs/dbraw/zinc/14/61/80/1189146180.db2.gz FNZGLVVMNYCUKR-UHFFFAOYSA-N -1 1 311.790 3.184 20 10 DGCDMM O=C1CSc2ccc(NCc3cc(F)cc(F)c3[O-])cc2N1 ZINC001560279666 1189304281 /nfs/dbraw/zinc/30/42/81/1189304281.db2.gz NUEPUAZXLVHNRM-UHFFFAOYSA-N -1 1 322.336 3.327 20 10 DGCDMM COc1ccc2c(c1)OCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001560784158 1189382004 /nfs/dbraw/zinc/38/20/04/1189382004.db2.gz JLDJUQIWENDLQV-UHFFFAOYSA-N -1 1 321.323 3.074 20 10 DGCDMM CCOc1ncccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001562179028 1189476269 /nfs/dbraw/zinc/47/62/69/1189476269.db2.gz DNKUJHGQJKGLLB-UHFFFAOYSA-N -1 1 321.764 3.161 20 10 DGCDMM C[S@@](=N)(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001621078222 1193799491 /nfs/dbraw/zinc/79/94/91/1193799491.db2.gz HATUAEGKQDPKAZ-OAQYLSRUSA-N -1 1 312.341 3.318 20 10 DGCDMM CCN(CC)c1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC001625013785 1194027274 /nfs/dbraw/zinc/02/72/74/1194027274.db2.gz DPFVUNLOYQYUEH-UHFFFAOYSA-N -1 1 316.376 3.308 20 10 DGCDMM O=C(NCc1c(O)ccc2ccccc21)c1ccc([O-])cc1F ZINC001635965325 1194582139 /nfs/dbraw/zinc/58/21/39/1194582139.db2.gz VWSZXWFFRFCKNN-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM O=c1cc[nH]c2cc(NCc3cc(F)cc(F)c3[O-])ccc12 ZINC001662413807 1196719214 /nfs/dbraw/zinc/71/92/14/1196719214.db2.gz FFDWSCHBAJGNDH-UHFFFAOYSA-N -1 1 302.280 3.124 20 10 DGCDMM CC(C)NC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001662601163 1196732983 /nfs/dbraw/zinc/73/29/83/1196732983.db2.gz SAASSERDCBSLKC-UHFFFAOYSA-N -1 1 320.339 3.421 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NCC(C1CC1)C1CC1 ZINC001669772874 1197479489 /nfs/dbraw/zinc/47/94/89/1197479489.db2.gz DQAGEPQAMMLHBL-UHFFFAOYSA-N -1 1 308.809 3.281 20 10 DGCDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)cc1 ZINC000242831195 1203576620 /nfs/dbraw/zinc/57/66/20/1203576620.db2.gz FQMMKOPQOJEBAH-UHFFFAOYSA-N -1 1 304.415 3.116 20 10 DGCDMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001601976599 971099742 /nfs/dbraw/zinc/09/97/42/971099742.db2.gz MXSFSIFCWUTRBK-JTQLQIEISA-N -1 1 315.772 3.262 20 10 DGCDMM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC001594327012 958182470 /nfs/dbraw/zinc/18/24/70/958182470.db2.gz MTBDBOWJQAOJFX-LBPRGKRZSA-N -1 1 311.809 3.431 20 10 DGCDMM Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC001594327012 958182478 /nfs/dbraw/zinc/18/24/78/958182478.db2.gz MTBDBOWJQAOJFX-LBPRGKRZSA-N -1 1 311.809 3.431 20 10 DGCDMM C[C@H]([NH2+]CCCCC(=O)[O-])c1cc(Br)ccc1[O-] ZINC001603248547 972413750 /nfs/dbraw/zinc/41/37/50/972413750.db2.gz GVJDHNQCYYMVNX-VIFPVBQESA-N -1 1 316.195 3.060 20 10 DGCDMM CC(C)c1ccc(O)c(CNC(C)(C)c2cc(C(=O)[O-])on2)c1 ZINC001591973592 976577456 /nfs/dbraw/zinc/57/74/56/976577456.db2.gz BVGKJHWOXFHNGU-UHFFFAOYSA-N -1 1 318.373 3.227 20 10 DGCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CC(=O)[O-] ZINC000722630135 978153862 /nfs/dbraw/zinc/15/38/62/978153862.db2.gz BDPSQXNBVVIVRF-RKDXNWHRSA-N -1 1 318.200 3.242 20 10 DGCDMM CCc1oc(CNCc2ccc(N(C)C)c(F)c2)cc1C(=O)[O-] ZINC001597805355 989414413 /nfs/dbraw/zinc/41/44/13/989414413.db2.gz GTXSWSITZLAMPX-UHFFFAOYSA-N -1 1 320.364 3.035 20 10 DGCDMM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)ccc1O ZINC001593198721 994174748 /nfs/dbraw/zinc/17/47/48/994174748.db2.gz UVHRBLDPVJEQPU-SFYZADRCSA-N -1 1 310.350 3.098 20 10 DGCDMM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1(F)F ZINC001236798668 1099792669 /nfs/dbraw/zinc/79/26/69/1099792669.db2.gz JSTWMUGZAXYRDM-UHFFFAOYSA-N -1 1 310.127 3.109 20 10 DGCDMM O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1c(F)ccc(O)c1[O-] ZINC001184226192 1084130698 /nfs/dbraw/zinc/13/06/98/1084130698.db2.gz OLWYEQJUMVANRM-UHFFFAOYSA-N -1 1 321.695 3.019 20 10 DGCDMM O=Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001159041288 1088156062 /nfs/dbraw/zinc/15/60/62/1088156062.db2.gz GZGQSNUBHNMOBP-CMDGGOBGSA-N -1 1 315.756 3.188 20 10 DGCDMM Cc1ccc2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159276775 1088264255 /nfs/dbraw/zinc/26/42/55/1088264255.db2.gz LOABVDCWCFDCIW-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM O=C(CNc1nccc2ccc(F)cc21)c1ccc([O-])c(O)c1 ZINC001159279066 1088269932 /nfs/dbraw/zinc/26/99/32/1088269932.db2.gz JPXJHEHUEDBCAN-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])Cc1ccccc1 ZINC001160788680 1088964460 /nfs/dbraw/zinc/96/44/60/1088964460.db2.gz COVBIKWMRMCYQJ-UHFFFAOYSA-N -1 1 317.360 3.236 20 10 DGCDMM CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236788962 1089852571 /nfs/dbraw/zinc/85/25/71/1089852571.db2.gz AEIBRAOUGKILDB-UHFFFAOYSA-N -1 1 320.216 3.473 20 10 DGCDMM COc1cccc2c1nc(NCc1cc(F)cc(F)c1[O-])n2C ZINC001203530186 1090750312 /nfs/dbraw/zinc/75/03/12/1090750312.db2.gz PHMXABWNNALINZ-UHFFFAOYSA-N -1 1 319.311 3.178 20 10 DGCDMM COc1cccc2c1CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139687305 1091643528 /nfs/dbraw/zinc/64/35/28/1091643528.db2.gz LBLBMCDRKLELCM-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM [O-]c1cc(F)cc(F)c1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001140583105 1091919410 /nfs/dbraw/zinc/91/94/10/1091919410.db2.gz WGRJUOUEHGHSSI-GFCCVEGCSA-N -1 1 313.241 3.394 20 10 DGCDMM [O-]c1cc(F)cc(F)c1CN1CCC(Oc2ccncc2)CC1 ZINC001140582085 1091920567 /nfs/dbraw/zinc/92/05/67/1091920567.db2.gz CGSPFZWZYYRCBW-UHFFFAOYSA-N -1 1 320.339 3.109 20 10 DGCDMM Cc1nc([C@@H]2CCCCN2Cc2cc(F)c(F)cc2[O-])no1 ZINC001142524853 1092493347 /nfs/dbraw/zinc/49/33/47/1092493347.db2.gz NIZWXNMKWSYJMM-ZDUSSCGKSA-N -1 1 309.316 3.089 20 10 DGCDMM Cc1cc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cc(C)n1 ZINC001216954046 1094283379 /nfs/dbraw/zinc/28/33/79/1094283379.db2.gz MMHHXPQFJPJVBV-UHFFFAOYSA-N -1 1 317.732 3.480 20 10 DGCDMM CCc1cccnc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216953788 1094283708 /nfs/dbraw/zinc/28/37/08/1094283708.db2.gz KAUXJCXNVKPAMZ-UHFFFAOYSA-N -1 1 317.732 3.426 20 10 DGCDMM CCOC(=O)CN(Cc1ccccc1)Cc1c([O-])cccc1F ZINC001137831992 1095756540 /nfs/dbraw/zinc/75/65/40/1095756540.db2.gz VWFQRLXLGGSDDV-UHFFFAOYSA-N -1 1 317.360 3.097 20 10 DGCDMM [O-]c1c(F)cccc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001138129422 1095897468 /nfs/dbraw/zinc/89/74/68/1095897468.db2.gz BZHJKAOFOSIPHK-CYBMUJFWSA-N -1 1 315.270 3.388 20 10 DGCDMM [O-]c1c(F)cccc1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001138129869 1095901290 /nfs/dbraw/zinc/90/12/90/1095901290.db2.gz XJKNTGXKYXGGLZ-UHFFFAOYSA-N -1 1 323.371 3.411 20 10 DGCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001231452744 1097751651 /nfs/dbraw/zinc/75/16/51/1097751651.db2.gz UGJAPDMQRQJLNT-UHFFFAOYSA-N -1 1 315.413 3.491 20 10 DGCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001231452744 1097751657 /nfs/dbraw/zinc/75/16/57/1097751657.db2.gz UGJAPDMQRQJLNT-UHFFFAOYSA-N -1 1 315.413 3.491 20 10 DGCDMM [O-]c1c(CN2CC[C@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077425 1098220504 /nfs/dbraw/zinc/22/05/04/1098220504.db2.gz NFQMQHHYACELAJ-HNNXBMFYSA-N -1 1 319.351 3.462 20 10 DGCDMM COc1cccc(CN(C)Cc2c([O-])ccc(F)c2F)c1OC ZINC001233335751 1098292684 /nfs/dbraw/zinc/29/26/84/1098292684.db2.gz JTOHGPPKPDHEJH-UHFFFAOYSA-N -1 1 323.339 3.320 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)C(=O)OC(C)(C)C ZINC001233497244 1098351263 /nfs/dbraw/zinc/35/12/63/1098351263.db2.gz OBFKPTWJUUVZKW-SNVBAGLBSA-N -1 1 324.373 3.190 20 10 DGCDMM CCCCOC(=O)[C@H](C)Oc1cc([O-])c(O)cc1C(=O)CCC ZINC001233496363 1098352284 /nfs/dbraw/zinc/35/22/84/1098352284.db2.gz FNCYXXJAKFONOU-NSHDSACASA-N -1 1 324.373 3.191 20 10 DGCDMM O=C1OCCN1c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001177449611 1098533232 /nfs/dbraw/zinc/53/32/32/1098533232.db2.gz IXUHBIWIEXHEIT-UHFFFAOYSA-N -1 1 320.295 3.239 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CCc2ccccc2O1 ZINC001234473832 1098564516 /nfs/dbraw/zinc/56/45/16/1098564516.db2.gz KLGCKKJNAITZJP-ZDUSSCGKSA-N -1 1 314.337 3.073 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccnc(Cl)c1F ZINC001180409841 1099411373 /nfs/dbraw/zinc/41/13/73/1099411373.db2.gz GFZHRFQZYYTOJW-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(C1)CCCCO2 ZINC001236791219 1099786911 /nfs/dbraw/zinc/78/69/11/1099786911.db2.gz YOJKOHWMENNCGQ-UHFFFAOYSA-N -1 1 302.201 3.454 20 10 DGCDMM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC001188962164 1099913252 /nfs/dbraw/zinc/91/32/52/1099913252.db2.gz KVEOMRULLCVNBI-UHFFFAOYSA-N -1 1 315.394 3.069 20 10 DGCDMM CN1CCN(Cc2cc(F)c(Cl)cc2[O-])Cc2cccnc21 ZINC001237938011 1100296532 /nfs/dbraw/zinc/29/65/32/1100296532.db2.gz RMAXANKYUINPSE-UHFFFAOYSA-N -1 1 321.783 3.032 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@H]1c1ncccn1 ZINC001237944858 1100299843 /nfs/dbraw/zinc/29/98/43/1100299843.db2.gz WSXNMEBKGRWVRB-ZDUSSCGKSA-N -1 1 307.756 3.312 20 10 DGCDMM O=C(Nc1scnc1C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193220793 1100718919 /nfs/dbraw/zinc/71/89/19/1100718919.db2.gz XIVUHAXWXGXJEK-UHFFFAOYSA-N -1 1 310.762 3.337 20 10 DGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@H]1c1ccccn1 ZINC001193232441 1100719473 /nfs/dbraw/zinc/71/94/73/1100719473.db2.gz JSKCLXPVWVKHLL-GFCCVEGCSA-N -1 1 318.760 3.124 20 10 DGCDMM O=C(Nc1cccc2c1OCCC2)c1ccc(O)c([O-])c1Cl ZINC001193229091 1100722111 /nfs/dbraw/zinc/72/21/11/1100722111.db2.gz DAQIQDZMWUZXTE-UHFFFAOYSA-N -1 1 319.744 3.329 20 10 DGCDMM O=C(Nc1ccc2oncc2c1)c1ccc(O)c([O-])c1Cl ZINC001193230620 1100722472 /nfs/dbraw/zinc/72/24/72/1100722472.db2.gz YDUDCRLWVAUNBH-UHFFFAOYSA-N -1 1 304.689 3.145 20 10 DGCDMM CC(C)Nc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001201498721 1102614790 /nfs/dbraw/zinc/61/47/90/1102614790.db2.gz DKFXSEHWMPVDJY-UHFFFAOYSA-N -1 1 320.414 3.360 20 10 DGCDMM CCCCS(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001253863744 1105997622 /nfs/dbraw/zinc/99/76/22/1105997622.db2.gz DMHKDHGNEHCODF-UHFFFAOYSA-N -1 1 315.394 3.440 20 10 DGCDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N(C)C)c1 ZINC001258926900 1107060297 /nfs/dbraw/zinc/06/02/97/1107060297.db2.gz OUUZPRASVHDOBN-UHFFFAOYSA-N -1 1 308.378 3.001 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001259101385 1107078759 /nfs/dbraw/zinc/07/87/59/1107078759.db2.gz AMVOUBPVKMJFPN-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)ccc1F ZINC001260760682 1107314242 /nfs/dbraw/zinc/31/42/42/1107314242.db2.gz ZHZQYPXEMQHBPU-UHFFFAOYSA-N -1 1 308.378 3.001 20 10 DGCDMM Cc1cc(C)c(C(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC001321990042 1107479505 /nfs/dbraw/zinc/47/95/05/1107479505.db2.gz OJDLQOBMPRQIBI-UHFFFAOYSA-N -1 1 323.190 3.030 20 10 DGCDMM CC(C)c1cc(NC(=O)NCc2cccc(Cl)c2[O-])no1 ZINC001262272305 1107665311 /nfs/dbraw/zinc/66/53/11/1107665311.db2.gz RCKXANFMEWXGBI-UHFFFAOYSA-N -1 1 309.753 3.479 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCc2ccccc2O1 ZINC001305085393 1111193117 /nfs/dbraw/zinc/19/31/17/1111193117.db2.gz XNLBHYBOSNSSKU-HNNXBMFYSA-N -1 1 317.772 3.056 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1C[C@H]1c1ccccc1 ZINC001312615304 1111662610 /nfs/dbraw/zinc/66/26/10/1111662610.db2.gz HRELDZYNYVIQPH-ZFWWWQNUSA-N -1 1 316.788 3.401 20 10 DGCDMM Cc1ncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000264585182 432660422 /nfs/dbraw/zinc/66/04/22/432660422.db2.gz DTTIDWNSFKMESH-OAHLLOKOSA-N -1 1 318.442 3.338 20 10 DGCDMM C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncn(C)n1 ZINC000278793776 432902080 /nfs/dbraw/zinc/90/20/80/432902080.db2.gz QNPZHNXNXJXAGZ-YUMQZZPRSA-N -1 1 315.204 3.239 20 10 DGCDMM O=C(NCCCC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC001353372100 1180542552 /nfs/dbraw/zinc/54/25/52/1180542552.db2.gz ZHWKBAFTZHZHNN-UHFFFAOYSA-N -1 1 310.703 3.187 20 10 DGCDMM Cc1cc(C(=O)Nc2ccncc2[O-])c(C)n1-c1ccccc1C ZINC000731857456 574560369 /nfs/dbraw/zinc/56/03/69/574560369.db2.gz CBSDMKDPSZDNFB-UHFFFAOYSA-N -1 1 321.380 3.177 20 10 DGCDMM O=C([O-])C[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739796520 574912656 /nfs/dbraw/zinc/91/26/56/574912656.db2.gz OEIRWVNFIXCHQV-UHFFFAOYSA-N -1 1 323.751 3.272 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1cccc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739796520 574912658 /nfs/dbraw/zinc/91/26/58/574912658.db2.gz OEIRWVNFIXCHQV-UHFFFAOYSA-N -1 1 323.751 3.272 20 10 DGCDMM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H](C)O1 ZINC000750045479 575699941 /nfs/dbraw/zinc/69/99/41/575699941.db2.gz RKIUDVUBDGTSPN-YGRLFVJLSA-N -1 1 311.809 3.248 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000890757407 617655772 /nfs/dbraw/zinc/65/57/72/617655772.db2.gz CPEHIWCDZCVLDQ-QYJAPNMZSA-N -1 1 321.804 3.057 20 10 DGCDMM Cc1noc(C)c1[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758007 617655931 /nfs/dbraw/zinc/65/59/31/617655931.db2.gz POSXPKHJGHLZIG-MRVPVSSYSA-N -1 1 308.765 3.070 20 10 DGCDMM C[C@H]1C(=O)CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC000890760048 617656350 /nfs/dbraw/zinc/65/63/50/617656350.db2.gz ZJXDDPGJXDHBSQ-CMPLNLGQSA-N -1 1 323.820 3.303 20 10 DGCDMM CO[C@@H]1CCC[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759127 617656436 /nfs/dbraw/zinc/65/64/36/617656436.db2.gz DDNTWSTYTKHZMK-DGCLKSJQSA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1csc(NC2CC2)n1 ZINC000890759650 617656510 /nfs/dbraw/zinc/65/65/10/617656510.db2.gz GJAOACVUYKQOFJ-UHFFFAOYSA-N -1 1 323.805 3.006 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCCCC(=O)C1 ZINC000890759265 617656516 /nfs/dbraw/zinc/65/65/16/617656516.db2.gz IYMMXDCTWBCXIY-LLVKDONJSA-N -1 1 309.793 3.201 20 10 DGCDMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760587 617657002 /nfs/dbraw/zinc/65/70/02/617657002.db2.gz UHXYNRHSPYHXGA-RISCZKNCSA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(CCCc1nccs1)NCc1cccc(Cl)c1[O-] ZINC000890760009 617657297 /nfs/dbraw/zinc/65/72/97/617657297.db2.gz YOWYGBFGRNVRDN-UHFFFAOYSA-N -1 1 310.806 3.141 20 10 DGCDMM O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1cccc(Cl)c1[O-] ZINC000890762983 617658567 /nfs/dbraw/zinc/65/85/67/617658567.db2.gz LVTCMWNXMAIDEQ-TZMCWYRMSA-N -1 1 309.793 3.010 20 10 DGCDMM CCCCOCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000891472328 617809536 /nfs/dbraw/zinc/80/95/36/617809536.db2.gz WZUXFYIWYQNLPF-UHFFFAOYSA-N -1 1 314.813 3.052 20 10 DGCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(F)c1[O-] ZINC000854244004 620787640 /nfs/dbraw/zinc/78/76/40/620787640.db2.gz LKIYDWUAZVNVAV-UHFFFAOYSA-N -1 1 303.761 3.117 20 10 DGCDMM CSC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000894500020 618361471 /nfs/dbraw/zinc/36/14/71/618361471.db2.gz JHGBKMALSSDJKJ-UHFFFAOYSA-N -1 1 314.838 3.131 20 10 DGCDMM Cc1noc(C)c1[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000892972362 618373225 /nfs/dbraw/zinc/37/32/25/618373225.db2.gz XGSWMASJHGQISR-QMMMGPOBSA-N -1 1 323.780 3.211 20 10 DGCDMM CCOCc1nc(C)cc(NCc2cccc(Cl)c2[O-])n1 ZINC000897391892 619102478 /nfs/dbraw/zinc/10/24/78/619102478.db2.gz DSFGAEQBGMIFJT-UHFFFAOYSA-N -1 1 307.781 3.293 20 10 DGCDMM CCC(CC)(CNC(=O)c1c(F)ccc(O)c1[O-])C(F)(F)F ZINC000881431838 625370449 /nfs/dbraw/zinc/37/04/49/625370449.db2.gz DPWIFHYAVLMXGJ-UHFFFAOYSA-N -1 1 323.286 3.335 20 10 DGCDMM C[C@@H](NCc1cocn1)c1cc(Br)c(F)cc1[O-] ZINC000756831232 621667091 /nfs/dbraw/zinc/66/70/91/621667091.db2.gz MLEHMDYTTHCSIJ-SSDOTTSWSA-N -1 1 315.142 3.133 20 10 DGCDMM C[C@@H]1C[C@@H]1c1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000865295618 621892079 /nfs/dbraw/zinc/89/20/79/621892079.db2.gz IZVKXIFFVOQPST-APPZFPTMSA-N -1 1 324.178 3.273 20 10 DGCDMM CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768265336 622448183 /nfs/dbraw/zinc/44/81/83/622448183.db2.gz CJNWGHCUQKMMMT-CQSZACIVSA-N -1 1 306.724 3.063 20 10 DGCDMM Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)cc(F)c1[O-])N2 ZINC000768265256 622448298 /nfs/dbraw/zinc/44/82/98/622448298.db2.gz ASYOWESKZSQQCZ-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM O=C(N[C@@H]1CCSc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000789944661 625585227 /nfs/dbraw/zinc/58/52/27/625585227.db2.gz VJUOLNIKMJFCLF-LLVKDONJSA-N -1 1 319.357 3.204 20 10 DGCDMM CN(Cc1ccccc1Cl)C(=O)c1c([O-])c(O)ccc1F ZINC000789939565 625585393 /nfs/dbraw/zinc/58/53/93/625585393.db2.gz PFBYLOYVNJHXES-UHFFFAOYSA-N -1 1 309.724 3.163 20 10 DGCDMM CCOC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790241607 625621345 /nfs/dbraw/zinc/62/13/45/625621345.db2.gz ZKGNKFXEBVUWFN-UHFFFAOYSA-N -1 1 324.739 3.369 20 10 DGCDMM CCCc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000774138665 623111196 /nfs/dbraw/zinc/11/11/96/623111196.db2.gz LRBUXBYBGCIDIH-LGMDPLHJSA-N -1 1 306.365 3.101 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1O ZINC000775284771 623249415 /nfs/dbraw/zinc/24/94/15/623249415.db2.gz YOMJMKRXKOPMAU-UHFFFAOYSA-N -1 1 320.395 3.111 20 10 DGCDMM [O-]c1c(CN2CCOC(C3CC3)(C3CC3)C2)ccc(F)c1F ZINC000877636507 623972342 /nfs/dbraw/zinc/97/23/42/623972342.db2.gz ZEWCEQOEEWILEO-UHFFFAOYSA-N -1 1 309.356 3.061 20 10 DGCDMM CC1(C)N[C@H](c2cc(Cl)ccc2[O-])N(CC2CCCC2)C1=O ZINC000877856575 624070097 /nfs/dbraw/zinc/07/00/97/624070097.db2.gz FCUXHYMERJZPEW-HNNXBMFYSA-N -1 1 322.836 3.445 20 10 DGCDMM O=C1N[C@H](c2cccc(Cl)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859368 624072654 /nfs/dbraw/zinc/07/26/54/624072654.db2.gz RJWZWEGLMOSTQN-CYBMUJFWSA-N -1 1 310.687 3.178 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCOCC2(C)C)c1 ZINC000781903062 624168078 /nfs/dbraw/zinc/16/80/78/624168078.db2.gz WUNNOZHDLCYQCR-UHFFFAOYSA-N -1 1 314.223 3.074 20 10 DGCDMM CC[C@@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781901092 624168135 /nfs/dbraw/zinc/16/81/35/624168135.db2.gz MAEQQYLOTQRCCM-GFCCVEGCSA-N -1 1 314.223 3.074 20 10 DGCDMM C[C@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783199651 624322959 /nfs/dbraw/zinc/32/29/59/624322959.db2.gz PRJRDRGFMIYWSO-NWDGAFQWSA-N -1 1 306.358 3.040 20 10 DGCDMM C[C@@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783199653 624322967 /nfs/dbraw/zinc/32/29/67/624322967.db2.gz PRJRDRGFMIYWSO-VXGBXAGGSA-N -1 1 306.358 3.040 20 10 DGCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCCCC1 ZINC000783357262 624339620 /nfs/dbraw/zinc/33/96/20/624339620.db2.gz PNQKDCHBQLFSLT-LBPRGKRZSA-N -1 1 320.385 3.430 20 10 DGCDMM Cc1c(CN(C)Cc2cc(Cl)cc(Cl)c2[O-])cnn1C ZINC000790938210 625718891 /nfs/dbraw/zinc/71/88/91/625718891.db2.gz QKHVZUHXPMVRIA-UHFFFAOYSA-N -1 1 314.216 3.373 20 10 DGCDMM CC1(C)CCC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784365319 624511694 /nfs/dbraw/zinc/51/16/94/624511694.db2.gz JYCFAEZTOFHFPD-GFCCVEGCSA-N -1 1 306.358 3.040 20 10 DGCDMM CCCC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)CCC ZINC000784504932 624537080 /nfs/dbraw/zinc/53/70/80/624537080.db2.gz HJNBJAMPSOWMST-UHFFFAOYSA-N -1 1 306.358 3.350 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccn(CC(F)F)n1 ZINC000790976412 625727758 /nfs/dbraw/zinc/72/77/58/625727758.db2.gz BOVDISBBEWJGSH-UHFFFAOYSA-N -1 1 305.687 3.258 20 10 DGCDMM OCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1F ZINC000883152630 625945831 /nfs/dbraw/zinc/94/58/31/625945831.db2.gz BMISGFLYNUAKEF-HNNXBMFYSA-N -1 1 311.303 3.023 20 10 DGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000135050862 626903777 /nfs/dbraw/zinc/90/37/77/626903777.db2.gz ZWGMULXMXRFWQL-LBPRGKRZSA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000135050862 626903782 /nfs/dbraw/zinc/90/37/82/626903782.db2.gz ZWGMULXMXRFWQL-LBPRGKRZSA-N -1 1 311.809 3.368 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1O ZINC000136487190 627092303 /nfs/dbraw/zinc/09/23/03/627092303.db2.gz JJADSXBPGQTMCO-UHFFFAOYSA-N -1 1 315.753 3.294 20 10 DGCDMM C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1c(O)cccc1F ZINC000886497013 627153185 /nfs/dbraw/zinc/15/31/85/627153185.db2.gz OMNVTMQAALMNCB-GFCCVEGCSA-N -1 1 316.376 3.084 20 10 DGCDMM COC(=O)c1cnc([C@@H](C)N[C@H](C)c2c([O-])cccc2F)s1 ZINC000886629540 627176771 /nfs/dbraw/zinc/17/67/71/627176771.db2.gz HRWDXTVXBZMKQD-RKDXNWHRSA-N -1 1 324.377 3.186 20 10 DGCDMM O=C(COC(=O)/C(F)=C/C1CCCCC1)c1ccc([O-])c(O)c1 ZINC000814540581 627575431 /nfs/dbraw/zinc/57/54/31/627575431.db2.gz ZBJGKLABUMWRPM-JYRVWZFOSA-N -1 1 322.332 3.257 20 10 DGCDMM CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816520147 627801901 /nfs/dbraw/zinc/80/19/01/627801901.db2.gz HNFNSTGRROKXOR-GFCCVEGCSA-N -1 1 301.789 3.432 20 10 DGCDMM CN(C)C(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525109 627802543 /nfs/dbraw/zinc/80/25/43/627802543.db2.gz FFLRXURHCNUOEF-UHFFFAOYSA-N -1 1 322.767 3.499 20 10 DGCDMM C[C@H](Nc1ccc(COCCO)cc1)c1cc(F)cc(F)c1[O-] ZINC000818362055 628018819 /nfs/dbraw/zinc/01/88/19/628018819.db2.gz OWCZWDNQFMGGDH-NSHDSACASA-N -1 1 323.339 3.352 20 10 DGCDMM CCn1ccnc1[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825005945 628715343 /nfs/dbraw/zinc/71/53/43/628715343.db2.gz VQKRIGCWUIEXRJ-VIFPVBQESA-N -1 1 324.768 3.021 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(CC(F)(F)F)CC1 ZINC000831543495 629389006 /nfs/dbraw/zinc/38/90/06/629389006.db2.gz IJQHQHWTNGRKSS-UHFFFAOYSA-N -1 1 321.270 3.042 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]2C(F)(F)F)c1[O-] ZINC000852060891 632547908 /nfs/dbraw/zinc/54/79/08/632547908.db2.gz ZMLYHKMQIDIXRS-LLVKDONJSA-N -1 1 307.699 3.385 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H]2C(F)(F)F)c1[O-] ZINC000852060892 632548116 /nfs/dbraw/zinc/54/81/16/632548116.db2.gz ZMLYHKMQIDIXRS-NSHDSACASA-N -1 1 307.699 3.385 20 10 DGCDMM Cc1cc(Br)ccc1C=C1SC(=S)[N-]C1=O ZINC000177529012 655930235 /nfs/dbraw/zinc/93/02/35/655930235.db2.gz YPEZFHICICIEMV-UITAMQMPSA-N -1 1 314.229 3.246 20 10 DGCDMM Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000162478537 656155010 /nfs/dbraw/zinc/15/50/10/656155010.db2.gz YZGDKPWWXYDCAY-WEVVVXLNSA-N -1 1 314.229 3.246 20 10 DGCDMM CN(C)C(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000164956578 658959355 /nfs/dbraw/zinc/95/93/55/658959355.db2.gz QKOZDGANCKTVLY-UHFFFAOYSA-N -1 1 304.777 3.360 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1cnc(-c2ccccc2)s1 ZINC000171157402 659263899 /nfs/dbraw/zinc/26/38/99/659263899.db2.gz NBUQNXCJHNTBCQ-POHAHGRESA-N -1 1 304.421 3.299 20 10 DGCDMM C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000173523372 659390712 /nfs/dbraw/zinc/39/07/12/659390712.db2.gz HNEQSEMKHYJQLK-ZDUSSCGKSA-N -1 1 311.381 3.313 20 10 DGCDMM C[C@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000173523372 659390719 /nfs/dbraw/zinc/39/07/19/659390719.db2.gz HNEQSEMKHYJQLK-ZDUSSCGKSA-N -1 1 311.381 3.313 20 10 DGCDMM COc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1O ZINC000068488696 659954610 /nfs/dbraw/zinc/95/46/10/659954610.db2.gz XWDIJBQIAAXFOZ-UHFFFAOYSA-N -1 1 323.348 3.190 20 10 DGCDMM CCc1noc(C)c1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000930545136 661409295 /nfs/dbraw/zinc/40/92/95/661409295.db2.gz IDIUMCWHACTSHB-UHFFFAOYSA-N -1 1 309.753 3.226 20 10 DGCDMM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000397128402 685229089 /nfs/dbraw/zinc/22/90/89/685229089.db2.gz XIFKUOJOSMANDN-IUCAKERBSA-N -1 1 318.200 3.384 20 10 DGCDMM CC(C)Cn1cc(NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001333007936 1178539628 /nfs/dbraw/zinc/53/96/28/1178539628.db2.gz AUHSAHAXARPSEC-UHFFFAOYSA-N -1 1 322.796 3.220 20 10 DGCDMM CC(C)C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(=O)[O-] ZINC001603776148 1193031280 /nfs/dbraw/zinc/03/12/80/1193031280.db2.gz XABVCKYAYYYRRX-HNNXBMFYSA-N -1 1 301.386 3.382 20 10 DGCDMM Cc1cccnc1[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001358475706 1181498228 /nfs/dbraw/zinc/49/82/28/1181498228.db2.gz OEVOCOLJFZFGLI-LLVKDONJSA-N -1 1 319.792 3.309 20 10 DGCDMM C[C@H](Cc1ccccc1Cl)NC(=O)c1c([O-])c(O)ccc1F ZINC001457560088 1182469953 /nfs/dbraw/zinc/46/99/53/1182469953.db2.gz SGNJVKQOLUQSOG-SECBINFHSA-N -1 1 323.751 3.251 20 10 DGCDMM CC[C@@H]1c2ccccc2CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC001458033387 1182490888 /nfs/dbraw/zinc/49/08/88/1182490888.db2.gz BBOKEJCARGVOSD-CYBMUJFWSA-N -1 1 301.317 3.344 20 10 DGCDMM O=C(Cc1ccc(F)c(F)c1)NCc1cccc(Cl)c1[O-] ZINC001606859995 1193206127 /nfs/dbraw/zinc/20/61/27/1193206127.db2.gz DRZOBZSSSULBGE-UHFFFAOYSA-N -1 1 311.715 3.183 20 10 DGCDMM Cc1ccccc1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC001606860501 1193206491 /nfs/dbraw/zinc/20/64/91/1193206491.db2.gz NWCUQEAUHDTBFN-UHFFFAOYSA-N -1 1 305.761 3.049 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc2[nH]ccc21 ZINC001558756939 1189146243 /nfs/dbraw/zinc/14/62/43/1189146243.db2.gz IKETVZZMTUDTPC-UHFFFAOYSA-N -1 1 300.745 3.457 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)c2ccccc21 ZINC001558757521 1189146322 /nfs/dbraw/zinc/14/63/22/1189146322.db2.gz IBJARSYQLGTDRB-ZDUSSCGKSA-N -1 1 315.756 3.032 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNCc1nccn1C(F)F ZINC001560295159 1189307462 /nfs/dbraw/zinc/30/74/62/1189307462.db2.gz ODKVFRYEFRJCBM-UHFFFAOYSA-N -1 1 305.687 3.066 20 10 DGCDMM CC(=O)N(C)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cn1 ZINC001560510456 1189334491 /nfs/dbraw/zinc/33/44/91/1189334491.db2.gz WJOIYIBSDXCAKS-UHFFFAOYSA-N -1 1 323.755 3.175 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC001561006530 1189419571 /nfs/dbraw/zinc/41/95/71/1189419571.db2.gz UDWATOLFISJLNI-XJKSGUPXSA-N -1 1 309.287 3.232 20 10 DGCDMM CCC(C)(C)CCS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001562008049 1189470340 /nfs/dbraw/zinc/47/03/40/1189470340.db2.gz JVEFDHYAVOQIHV-UHFFFAOYSA-N -1 1 319.854 3.291 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(c1)COC2 ZINC001623247772 1193924061 /nfs/dbraw/zinc/92/40/61/1193924061.db2.gz LZESQEVAWHFOGF-UHFFFAOYSA-N -1 1 318.760 3.398 20 10 DGCDMM COc1cccc([C@H](C)C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640402610 1194811208 /nfs/dbraw/zinc/81/12/08/1194811208.db2.gz WGJKFDUYCIUFCM-NSHDSACASA-N -1 1 319.788 3.474 20 10 DGCDMM CCOc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001640401756 1194811339 /nfs/dbraw/zinc/81/13/39/1194811339.db2.gz DVTSKCIEJIRNLP-UHFFFAOYSA-N -1 1 305.761 3.374 20 10 DGCDMM C[C@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001640402354 1194811376 /nfs/dbraw/zinc/81/13/76/1194811376.db2.gz RCFBHEDLSNIANW-JTQLQIEISA-N -1 1 323.751 3.268 20 10 DGCDMM Cc1cnccc1/C=C\C(=O)NCc1cccc(Cl)c1[O-] ZINC001640405268 1194811543 /nfs/dbraw/zinc/81/15/43/1194811543.db2.gz OSLMNWALJCDTHG-WAYWQWQTSA-N -1 1 302.761 3.079 20 10 DGCDMM O=C(/C=C/c1ccc(O)cc1)NCc1cccc(Cl)c1[O-] ZINC001640404827 1194811551 /nfs/dbraw/zinc/81/15/51/1194811551.db2.gz IAFBEUFSCWGVPO-RMKNXTFCSA-N -1 1 303.745 3.081 20 10 DGCDMM O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(Cl)c3[O-])nc2c1 ZINC001643298649 1195012619 /nfs/dbraw/zinc/01/26/19/1195012619.db2.gz SSGVUTSWUDGVSL-UHFFFAOYSA-N -1 1 318.720 3.442 20 10 DGCDMM Cc1cc(CNC(=O)c2cncc([O-])c2)c(C)n1-c1ccccc1 ZINC001643370768 1195018741 /nfs/dbraw/zinc/01/87/41/1195018741.db2.gz WJAKKPYFWUNSON-UHFFFAOYSA-N -1 1 321.380 3.125 20 10 DGCDMM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001647826892 1195256556 /nfs/dbraw/zinc/25/65/56/1195256556.db2.gz NXZXTVJWWACYKB-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ncncc1Br ZINC001652315214 1195581075 /nfs/dbraw/zinc/58/10/75/1195581075.db2.gz AGJCEXUPAQXHLM-UHFFFAOYSA-N -1 1 314.570 3.210 20 10 DGCDMM C[C@H](NCc1ccc(F)c(F)c1[O-])c1c(F)cncc1F ZINC001652430118 1195596881 /nfs/dbraw/zinc/59/68/81/1195596881.db2.gz PBNVUQJZTOEYPA-ZETCQYMHSA-N -1 1 300.255 3.194 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(F)cc(F)cc1F ZINC001653567318 1195735509 /nfs/dbraw/zinc/73/55/09/1195735509.db2.gz UOWNDGOAEYLAMC-UHFFFAOYSA-N -1 1 315.678 3.393 20 10 DGCDMM O=C1CCCN1c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001656120192 1196007076 /nfs/dbraw/zinc/00/70/76/1196007076.db2.gz IVTFUJJYXJEHMK-UHFFFAOYSA-N -1 1 318.323 3.409 20 10 DGCDMM Cn1nccc1[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001659039969 1196335652 /nfs/dbraw/zinc/33/56/52/1196335652.db2.gz GKTPWDJPGGSMOW-HNNXBMFYSA-N -1 1 307.344 3.131 20 10 DGCDMM CCCN(Cc1ccc(F)c(F)c1[O-])[C@@H](CC)C(=O)OCC ZINC001659442732 1196383415 /nfs/dbraw/zinc/38/34/15/1196383415.db2.gz COKVEOPJJSOFFX-ZDUSSCGKSA-N -1 1 315.360 3.224 20 10 DGCDMM CCCN(Cc1ccc(F)c(F)c1[O-])[C@H](CC)C(=O)OCC ZINC001659442730 1196383883 /nfs/dbraw/zinc/38/38/83/1196383883.db2.gz COKVEOPJJSOFFX-CYBMUJFWSA-N -1 1 315.360 3.224 20 10 DGCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000086724976 957977063 /nfs/dbraw/zinc/97/70/63/957977063.db2.gz BRCJGHPJXXFIJB-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000086724976 957977068 /nfs/dbraw/zinc/97/70/68/957977068.db2.gz BRCJGHPJXXFIJB-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001573823079 960984348 /nfs/dbraw/zinc/98/43/48/960984348.db2.gz YHJZUFBRWLZVNO-HNNXBMFYSA-N -1 1 315.772 3.262 20 10 DGCDMM Cc1cccc([C@H]([NH2+]Cc2ccc(Cl)cc2[O-])C(=O)[O-])c1 ZINC001605328758 973188071 /nfs/dbraw/zinc/18/80/71/973188071.db2.gz DCVWXLXGLQICIP-HNNXBMFYSA-N -1 1 305.761 3.270 20 10 DGCDMM O=C1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1F ZINC001237078759 1099958964 /nfs/dbraw/zinc/95/89/64/1099958964.db2.gz WOJZVZNLRYCWEP-SNVBAGLBSA-N -1 1 306.164 3.202 20 10 DGCDMM C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000693494232 1082322206 /nfs/dbraw/zinc/32/22/06/1082322206.db2.gz HYOMNDODUQMEFA-KCJUWKMLSA-N -1 1 318.200 3.242 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000690783885 1082908844 /nfs/dbraw/zinc/90/88/44/1082908844.db2.gz YPICMJUKXPVRDT-RNCFNFMXSA-N -1 1 302.201 3.310 20 10 DGCDMM O=C1CC[C@H](c2ccccc2NCc2cc(F)cc(F)c2[O-])N1 ZINC001183597123 1083984142 /nfs/dbraw/zinc/98/41/42/1083984142.db2.gz ISHVJZOJDYWGEH-OAHLLOKOSA-N -1 1 318.323 3.234 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1nccc(Cl)c1F ZINC001159041672 1088155612 /nfs/dbraw/zinc/15/56/12/1088155612.db2.gz XJYGAGQWHAAGDA-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM CSc1cccc(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001159041106 1088156259 /nfs/dbraw/zinc/15/62/59/1088156259.db2.gz DBTLMIQWLKGWRA-UHFFFAOYSA-N -1 1 308.790 3.093 20 10 DGCDMM O=C(CNc1ccc2cc(F)ccc2n1)c1ccc([O-])c(O)c1 ZINC001159276137 1088264516 /nfs/dbraw/zinc/26/45/16/1088264516.db2.gz FKFYEMLYOPMNDR-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM CSc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])nc1 ZINC001203262941 1090709807 /nfs/dbraw/zinc/70/98/07/1090709807.db2.gz WJYDQEIZAVWAHA-UHFFFAOYSA-N -1 1 323.805 3.484 20 10 DGCDMM COC(=O)CCc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001205374109 1091204869 /nfs/dbraw/zinc/20/48/69/1091204869.db2.gz TYMVJJNGYOSWQR-UHFFFAOYSA-N -1 1 321.323 3.388 20 10 DGCDMM CCOC(=O)c1coc2c1CN(Cc1c([O-])cccc1Cl)C2 ZINC001140342229 1091835268 /nfs/dbraw/zinc/83/52/68/1091835268.db2.gz YWMOCQWTYPLVIR-UHFFFAOYSA-N -1 1 321.760 3.331 20 10 DGCDMM O=C(Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC001339117617 1095504249 /nfs/dbraw/zinc/50/42/49/1095504249.db2.gz XOJPQFHFTKUGHC-UHFFFAOYSA-N -1 1 320.186 3.014 20 10 DGCDMM CCC1(NC(=O)OC(C)(C)C)CN(Cc2c([O-])cccc2F)C1 ZINC001137840223 1095758734 /nfs/dbraw/zinc/75/87/34/1095758734.db2.gz TZTRATODCBWAHZ-UHFFFAOYSA-N -1 1 324.396 3.020 20 10 DGCDMM C[C@@]1(CF)CC(F)(F)CN1Cc1cc(Cl)c([O-])cc1O ZINC001232259389 1097984352 /nfs/dbraw/zinc/98/43/52/1097984352.db2.gz IIWMSHBYJANQTA-LBPRGKRZSA-N -1 1 309.715 3.320 20 10 DGCDMM Cc1ccccc1N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233073941 1098219821 /nfs/dbraw/zinc/21/98/21/1098219821.db2.gz HEEWOKDQQAYDGJ-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM CCCCOC(=O)[C@@H](C)Oc1cc([O-])c(O)cc1C(=O)CCC ZINC001233496361 1098352386 /nfs/dbraw/zinc/35/23/86/1098352386.db2.gz FNCYXXJAKFONOU-LLVKDONJSA-N -1 1 324.373 3.191 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cnccn1 ZINC001233496686 1098352426 /nfs/dbraw/zinc/35/24/26/1098352426.db2.gz ZFTRTSPHYPGUGL-SNVBAGLBSA-N -1 1 302.330 3.011 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC(=O)c2ccccc21 ZINC001234473886 1098563961 /nfs/dbraw/zinc/56/39/61/1098563961.db2.gz LNSJSYPIUNZEBR-QGZVFWFLSA-N -1 1 312.321 3.397 20 10 DGCDMM O=C1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1F ZINC001236794099 1099787614 /nfs/dbraw/zinc/78/76/14/1099787614.db2.gz PKIMIBBMNTUUFS-LLVKDONJSA-N -1 1 306.164 3.202 20 10 DGCDMM C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)[C@@H]1CO ZINC001236794139 1099788233 /nfs/dbraw/zinc/78/82/33/1099788233.db2.gz QEEATGNXDMPRRV-NOZJJQNGSA-N -1 1 304.217 3.292 20 10 DGCDMM COc1cc([O-])c(CN2CC[C@H](CF)C(F)(F)C2)c(Cl)c1 ZINC001236800464 1099793876 /nfs/dbraw/zinc/79/38/76/1099793876.db2.gz ZETFUTJUOQVPSW-SECBINFHSA-N -1 1 323.742 3.481 20 10 DGCDMM CN(CC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237080498 1099957584 /nfs/dbraw/zinc/95/75/84/1099957584.db2.gz SRKJPPGUOIRJJL-UHFFFAOYSA-N -1 1 320.216 3.473 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCc2ncncc2C1 ZINC001237080995 1099959386 /nfs/dbraw/zinc/95/93/86/1099959386.db2.gz JFBUVBXJXNLKPJ-UHFFFAOYSA-N -1 1 310.184 3.047 20 10 DGCDMM COC(=O)[C@H](C(C)C)N(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237084593 1099961514 /nfs/dbraw/zinc/96/15/14/1099961514.db2.gz LOCRJILPXRHJLP-ZDUSSCGKSA-N -1 1 320.216 3.328 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2c(O)cccc2C1 ZINC001237122700 1099982498 /nfs/dbraw/zinc/98/24/98/1099982498.db2.gz WWMMCWGVVIAVOQ-UHFFFAOYSA-N -1 1 307.752 3.449 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(Cc2ccco2)CC1 ZINC001237935500 1100296102 /nfs/dbraw/zinc/29/61/02/1100296102.db2.gz DVOGZNAJUGECNA-UHFFFAOYSA-N -1 1 324.783 3.096 20 10 DGCDMM CCOC(=O)[C@@H]1CCCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237937238 1100297016 /nfs/dbraw/zinc/29/70/16/1100297016.db2.gz ONICVEGCULPBMU-ZDUSSCGKSA-N -1 1 315.772 3.102 20 10 DGCDMM O=C(NC1CC2(C1)CC(F)(F)C2)c1ccc(O)c([O-])c1Cl ZINC001193247128 1100720340 /nfs/dbraw/zinc/72/03/40/1100720340.db2.gz MAPVYXGOHYQEHK-UHFFFAOYSA-N -1 1 317.719 3.059 20 10 DGCDMM O=C(NC[C@H]1CCc2ccccc21)c1ccc(O)c([O-])c1Cl ZINC001193246963 1100720504 /nfs/dbraw/zinc/72/05/04/1100720504.db2.gz FTRIOQAIAXONRU-LLVKDONJSA-N -1 1 317.772 3.211 20 10 DGCDMM CN(C)c1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001196919957 1101425311 /nfs/dbraw/zinc/42/53/11/1101425311.db2.gz XAEXGSLGOGVGGP-UHFFFAOYSA-N -1 1 319.792 3.433 20 10 DGCDMM Cc1ccc(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001259264117 1107109715 /nfs/dbraw/zinc/10/97/15/1107109715.db2.gz CVFGXUVIDLKPDK-UHFFFAOYSA-N -1 1 311.790 3.296 20 10 DGCDMM CC(C)(C)c1coc(SCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001307407216 1111296536 /nfs/dbraw/zinc/29/65/36/1111296536.db2.gz BJIXKOSOCRTLKN-UHFFFAOYSA-N -1 1 307.371 3.358 20 10 DGCDMM Cc1nc(-c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)n[nH]1 ZINC001308337500 1111418313 /nfs/dbraw/zinc/41/83/13/1111418313.db2.gz OQYDEEWNPKDWPX-UHFFFAOYSA-N -1 1 316.311 3.376 20 10 DGCDMM O=C1NCCc2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC001308461483 1111431660 /nfs/dbraw/zinc/43/16/60/1111431660.db2.gz QQLLPKHQHNDCOW-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287231346 292014412 /nfs/dbraw/zinc/01/44/12/292014412.db2.gz GQWXBFYLIZYQLZ-SDBXPKJASA-N -1 1 317.307 3.170 20 10 DGCDMM CCC(CC)c1cc(CNC(=O)c2c(F)ccc(O)c2[O-])on1 ZINC000276524768 432816239 /nfs/dbraw/zinc/81/62/39/432816239.db2.gz DDPLBUZNYPCBDH-UHFFFAOYSA-N -1 1 322.336 3.059 20 10 DGCDMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000277386064 432845000 /nfs/dbraw/zinc/84/50/00/432845000.db2.gz BNTGZCALXJOXAJ-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM COCc1nc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000289911016 432978566 /nfs/dbraw/zinc/97/85/66/432978566.db2.gz UJAPVNRXZLDMLD-QMMMGPOBSA-N -1 1 314.357 3.124 20 10 DGCDMM COc1cc(CCO)ccc1NCc1cccc(Cl)c1[O-] ZINC000281077322 433258643 /nfs/dbraw/zinc/25/86/43/433258643.db2.gz UECJBKMDWMPEGV-UHFFFAOYSA-N -1 1 307.777 3.201 20 10 DGCDMM Cc1c2ccccc2n(C)c1CNC(=O)c1ccc([O-])cc1F ZINC000436990972 434199621 /nfs/dbraw/zinc/19/96/21/434199621.db2.gz RRCQUXYYUNTEQJ-UHFFFAOYSA-N -1 1 312.344 3.261 20 10 DGCDMM Cc1cc(N(C)C)ccc1CNC(=O)c1c([O-])cccc1Cl ZINC000734558746 574667502 /nfs/dbraw/zinc/66/75/02/574667502.db2.gz WCJKVBJHMLZAPS-UHFFFAOYSA-N -1 1 318.804 3.350 20 10 DGCDMM Cc1cc(O)c(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C(C)C ZINC000738464052 574871014 /nfs/dbraw/zinc/87/10/14/574871014.db2.gz YWWMJCIBEUWZBQ-AWEZNQCLSA-N -1 1 323.458 3.216 20 10 DGCDMM O=C([O-])c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)C2 ZINC000740201903 574928483 /nfs/dbraw/zinc/92/84/83/574928483.db2.gz APPRHOVZFZSDLV-UHFFFAOYSA-N -1 1 309.365 3.095 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1(C(F)F)CCCC1 ZINC000890759306 617656318 /nfs/dbraw/zinc/65/63/18/617656318.db2.gz JLQDNCWZVIULDG-UHFFFAOYSA-N -1 1 303.736 3.487 20 10 DGCDMM CC1CCC(OCC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759707 617656419 /nfs/dbraw/zinc/65/64/19/617656419.db2.gz PDIKAMCRFOMMQT-UHFFFAOYSA-N -1 1 311.809 3.257 20 10 DGCDMM CC[C@@H](C)n1nc(C(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC000890759947 617656987 /nfs/dbraw/zinc/65/69/87/617656987.db2.gz WXFWJYSIJNWFPR-SNVBAGLBSA-N -1 1 321.808 3.452 20 10 DGCDMM COC1CCC(CC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760332 617656990 /nfs/dbraw/zinc/65/69/90/617656990.db2.gz ORZVHZGQCFYONF-UHFFFAOYSA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(CCCC1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890759941 617657121 /nfs/dbraw/zinc/65/71/21/617657121.db2.gz WRWKMLTYGJHWDU-UHFFFAOYSA-N -1 1 311.809 3.259 20 10 DGCDMM CCCc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(=O)[nH]1 ZINC000890762425 617657749 /nfs/dbraw/zinc/65/77/49/617657749.db2.gz CCGDSQPWNYWZQF-UHFFFAOYSA-N -1 1 320.776 3.029 20 10 DGCDMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1cccc(Cl)c1[O-] ZINC000890762981 617658410 /nfs/dbraw/zinc/65/84/10/617658410.db2.gz LVTCMWNXMAIDEQ-JSGCOSHPSA-N -1 1 309.793 3.010 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1([C@H]2CCCCO2)CCC1 ZINC000890762585 617658548 /nfs/dbraw/zinc/65/85/48/617658548.db2.gz GRNNWBFVOJPXPQ-CQSZACIVSA-N -1 1 323.820 3.401 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC(F)(F)C1 ZINC000894561564 618383787 /nfs/dbraw/zinc/38/37/87/618383787.db2.gz PBYJBPOLKQPMAC-SECBINFHSA-N -1 1 318.751 3.280 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1(C(F)(F)F)CC1 ZINC000894783291 618457345 /nfs/dbraw/zinc/45/73/45/618457345.db2.gz UGEVWZNJZXSOLB-UHFFFAOYSA-N -1 1 322.714 3.187 20 10 DGCDMM CC1(C)[C@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1(F)F ZINC000895839344 618837155 /nfs/dbraw/zinc/83/71/55/618837155.db2.gz NWJXXPNHXKSRFZ-JTQLQIEISA-N -1 1 318.751 3.136 20 10 DGCDMM [O-]c1cccc(F)c1CNCc1csc(C(F)(F)F)n1 ZINC000896641711 618940321 /nfs/dbraw/zinc/94/03/21/618940321.db2.gz VHBYMWUZQQUDAT-UHFFFAOYSA-N -1 1 306.284 3.296 20 10 DGCDMM Cc1nc(CNCc2cc(Cl)cc(Cl)c2[O-])[nH]c1C ZINC000862368823 621579911 /nfs/dbraw/zinc/57/99/11/621579911.db2.gz MMNUOOSLKTVUBF-UHFFFAOYSA-N -1 1 300.189 3.329 20 10 DGCDMM C[C@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)cc(F)c1[O-] ZINC000756858249 621669409 /nfs/dbraw/zinc/66/94/09/621669409.db2.gz SMUQOHCNQQGKFY-JTQLQIEISA-N -1 1 316.311 3.424 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1cc2c(nn1)CCC2 ZINC000762658157 622089990 /nfs/dbraw/zinc/08/99/90/622089990.db2.gz NTYFLIGFGSGZHG-UHFFFAOYSA-N -1 1 320.190 3.046 20 10 DGCDMM CC(C)(C)OC(=O)c1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000764888932 622230474 /nfs/dbraw/zinc/23/04/74/622230474.db2.gz OKWSNSNFGBAKKK-DHZHZOJOSA-N -1 1 321.423 3.131 20 10 DGCDMM CCc1cc(C)nc(NCc2cccc(Br)c2[O-])n1 ZINC000764935610 622233775 /nfs/dbraw/zinc/23/37/75/622233775.db2.gz ZWMXCZLQDHTHMX-UHFFFAOYSA-N -1 1 322.206 3.428 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccs1 ZINC000765767065 622285869 /nfs/dbraw/zinc/28/58/69/622285869.db2.gz ZCHQGWICPULSLG-UHFFFAOYSA-N -1 1 312.188 3.146 20 10 DGCDMM CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768265335 622447985 /nfs/dbraw/zinc/44/79/85/622447985.db2.gz CJNWGHCUQKMMMT-AWEZNQCLSA-N -1 1 306.724 3.063 20 10 DGCDMM Cc1ccccc1C(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789966890 625589215 /nfs/dbraw/zinc/58/92/15/625589215.db2.gz ORSXCFFWROCCLS-UHFFFAOYSA-N -1 1 317.360 3.253 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CCCCC2)CC1 ZINC000789974861 625589943 /nfs/dbraw/zinc/58/99/43/625589943.db2.gz VHWCMRITVFPKIR-UHFFFAOYSA-N -1 1 307.365 3.423 20 10 DGCDMM O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000774061587 623103483 /nfs/dbraw/zinc/10/34/83/623103483.db2.gz BGVKIZMQKGYIGH-UHFFFAOYSA-N -1 1 311.259 3.047 20 10 DGCDMM [O-]c1c(F)c(F)ccc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000876635602 623665739 /nfs/dbraw/zinc/66/57/39/623665739.db2.gz ZHWWRDJBZFNVHB-CQSZACIVSA-N -1 1 323.339 3.445 20 10 DGCDMM CCCc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783180279 624320791 /nfs/dbraw/zinc/32/07/91/624320791.db2.gz ZKCUZOKGPXURQL-UHFFFAOYSA-N -1 1 314.337 3.090 20 10 DGCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCCC1 ZINC000784385912 624517561 /nfs/dbraw/zinc/51/75/61/624517561.db2.gz MEQVNUZYFPVAJJ-UHFFFAOYSA-N -1 1 306.358 3.040 20 10 DGCDMM O=C1NCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000790984176 625729814 /nfs/dbraw/zinc/72/98/14/625729814.db2.gz SDVBKLLBWVJIFQ-UHFFFAOYSA-N -1 1 306.724 3.040 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc2c(c1)OCCCO2 ZINC000882906924 625853868 /nfs/dbraw/zinc/85/38/68/625853868.db2.gz DCOGBJIGNWBTPJ-UHFFFAOYSA-N -1 1 307.296 3.444 20 10 DGCDMM CCn1ccc(C[N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000792313011 625935691 /nfs/dbraw/zinc/93/56/91/625935691.db2.gz IGGAVENDFWMVDG-UHFFFAOYSA-N -1 1 304.365 3.187 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])C(F)F ZINC000792484361 625948606 /nfs/dbraw/zinc/94/86/06/625948606.db2.gz MYRSIXCCMZIVHA-UHFFFAOYSA-N -1 1 322.149 3.062 20 10 DGCDMM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1(F)F ZINC000811513120 627285545 /nfs/dbraw/zinc/28/55/45/627285545.db2.gz WKLAIXWKIRGWCO-QMMMGPOBSA-N -1 1 320.723 3.431 20 10 DGCDMM CN(C)C(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816598139 627813629 /nfs/dbraw/zinc/81/36/29/627813629.db2.gz QZSKQCINQYTBCH-UHFFFAOYSA-N -1 1 322.767 3.499 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818230259 628007062 /nfs/dbraw/zinc/00/70/62/628007062.db2.gz OXLKQMOHEOUWOH-HZPDHXFCSA-N -1 1 302.305 3.027 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000834475815 629715839 /nfs/dbraw/zinc/71/58/39/629715839.db2.gz DZGUQJMTOMLCQP-MVWJERBFSA-N -1 1 324.218 3.207 20 10 DGCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CCC1 ZINC000837581512 630279305 /nfs/dbraw/zinc/27/93/05/630279305.db2.gz JOISUOSPVOCATD-VIFPVBQESA-N -1 1 312.207 3.207 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(Cl)s1 ZINC000085203947 660380878 /nfs/dbraw/zinc/38/08/78/660380878.db2.gz YMCVSSBRSXKECX-UHFFFAOYSA-N -1 1 307.755 3.047 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCCC2 ZINC000792882433 660991437 /nfs/dbraw/zinc/99/14/37/660991437.db2.gz GDSBQDSNVVNDKX-QGOAFFKASA-N -1 1 318.376 3.027 20 10 DGCDMM Cc1occc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092438558 656153661 /nfs/dbraw/zinc/15/36/61/656153661.db2.gz ZGUJJPOVYSHLNX-UHFFFAOYSA-N -1 1 310.737 3.487 20 10 DGCDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000192155667 656175729 /nfs/dbraw/zinc/17/57/29/656175729.db2.gz PVYSPNDVTLMZKR-UHFFFAOYSA-N -1 1 323.439 3.477 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cc2c(cn1)CCC2 ZINC000931570161 661489849 /nfs/dbraw/zinc/48/98/49/661489849.db2.gz FPFQMPAFEMZXMO-UHFFFAOYSA-N -1 1 317.776 3.251 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(F)c(C(F)(F)F)c1 ZINC000158625553 661875635 /nfs/dbraw/zinc/87/56/35/661875635.db2.gz FUJSRQOWBIGASB-XBXARRHUSA-N -1 1 307.293 3.333 20 10 DGCDMM O=C(CSc1ccc([N+](=O)[O-])cc1F)c1ccc([O-])c(O)c1 ZINC000193504665 662136747 /nfs/dbraw/zinc/13/67/47/662136747.db2.gz GYJFKDUCARKSDV-UHFFFAOYSA-N -1 1 323.301 3.120 20 10 DGCDMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000397128403 685229347 /nfs/dbraw/zinc/22/93/47/685229347.db2.gz XIFKUOJOSMANDN-RKDXNWHRSA-N -1 1 318.200 3.384 20 10 DGCDMM O=C(CNc1cc(F)cc2[nH]ccc21)c1ccc([O-])c(O)c1 ZINC001170314577 1177732889 /nfs/dbraw/zinc/73/28/89/1177732889.db2.gz FOOFISVPVCZOKY-UHFFFAOYSA-N -1 1 300.289 3.013 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001259100146 1178083573 /nfs/dbraw/zinc/08/35/73/1178083573.db2.gz KWDAZXYVTLLITN-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM O=C([O-])C[N@H+](CCc1ccccc1)Cc1c([O-])cccc1Cl ZINC001602056709 1192957526 /nfs/dbraw/zinc/95/75/26/1192957526.db2.gz FHQGSJYCNSWGNE-UHFFFAOYSA-N -1 1 319.788 3.175 20 10 DGCDMM O=C([O-])C[N@@H+](CCc1ccccc1)Cc1c([O-])cccc1Cl ZINC001602056709 1192957529 /nfs/dbraw/zinc/95/75/29/1192957529.db2.gz FHQGSJYCNSWGNE-UHFFFAOYSA-N -1 1 319.788 3.175 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCC[C@H](F)C1 ZINC001357162282 1181362626 /nfs/dbraw/zinc/36/26/26/1181362626.db2.gz SORZIVOWBUUNRD-QWRGUYRKSA-N -1 1 300.761 3.126 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(-c2ccco2)on1 ZINC001457039577 1182441162 /nfs/dbraw/zinc/44/11/62/1182441162.db2.gz XMPWZDQVJAIITB-UHFFFAOYSA-N -1 1 318.716 3.224 20 10 DGCDMM O=C(Nc1cccc(F)c1[O-])c1cc2cc(O)c(O)cc2s1 ZINC001471170101 1183543102 /nfs/dbraw/zinc/54/31/02/1183543102.db2.gz ZJFOFKVCEBOILD-UHFFFAOYSA-N -1 1 319.313 3.410 20 10 DGCDMM Cc1ccc(F)c(OCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001472317144 1183634577 /nfs/dbraw/zinc/63/45/77/1183634577.db2.gz XEYAJHAHJWFSHT-UHFFFAOYSA-N -1 1 323.751 3.188 20 10 DGCDMM CCCN(CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001474425660 1183919860 /nfs/dbraw/zinc/91/98/60/1183919860.db2.gz KMZWPMYMKUJTBW-UHFFFAOYSA-N -1 1 315.360 3.224 20 10 DGCDMM Cc1sc([C@H]2CCCN2Cc2ccc(N)cc2)nc1C(=O)[O-] ZINC001608067224 1193276917 /nfs/dbraw/zinc/27/69/17/1193276917.db2.gz GKNKSIQEXFOVJM-CYBMUJFWSA-N -1 1 317.414 3.069 20 10 DGCDMM COc1ccc(CCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001558757062 1189146499 /nfs/dbraw/zinc/14/64/99/1189146499.db2.gz NIXQRVHUYJJLNN-UHFFFAOYSA-N -1 1 319.788 3.303 20 10 DGCDMM O=C(CCc1ccc(F)cc1)NCc1cccc(Cl)c1[O-] ZINC001558757110 1189146563 /nfs/dbraw/zinc/14/65/63/1189146563.db2.gz PNQVHGIHPPMSAD-UHFFFAOYSA-N -1 1 307.752 3.434 20 10 DGCDMM CC(C)Oc1cccnc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001637226975 1194658005 /nfs/dbraw/zinc/65/80/05/1194658005.db2.gz HMRDWGSTBKYAQJ-UHFFFAOYSA-N -1 1 320.776 3.158 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCc2cccc(O)c21 ZINC001637226870 1194658102 /nfs/dbraw/zinc/65/81/02/1194658102.db2.gz CSPHTDKCTCVFPU-LBPRGKRZSA-N -1 1 317.772 3.097 20 10 DGCDMM O=C(C[C@@H]1OCc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001637232319 1194658153 /nfs/dbraw/zinc/65/81/53/1194658153.db2.gz PRKFBWGWVRICJV-HNNXBMFYSA-N -1 1 317.772 3.323 20 10 DGCDMM O=C(NCCC1(c2ccccc2)CC1)c1c(F)ccc(O)c1[O-] ZINC001639075642 1194749939 /nfs/dbraw/zinc/74/99/39/1194749939.db2.gz SZMLFDUQYAVORT-UHFFFAOYSA-N -1 1 315.344 3.089 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC001640404533 1194811727 /nfs/dbraw/zinc/81/17/27/1194811727.db2.gz CGQKMTQKAIMPQH-UHFFFAOYSA-N -1 1 319.788 3.345 20 10 DGCDMM O=C(/C=C\c1ccc(O)cc1)NCc1cccc(Cl)c1[O-] ZINC001640404828 1194811832 /nfs/dbraw/zinc/81/18/32/1194811832.db2.gz IAFBEUFSCWGVPO-TWGQIWQCSA-N -1 1 303.745 3.081 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC001647829948 1195256533 /nfs/dbraw/zinc/25/65/33/1195256533.db2.gz AQLQHMWXBCSMNZ-CYBMUJFWSA-N -1 1 305.736 3.141 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1(Oc2ccccc2)CC1 ZINC001648609498 1195312797 /nfs/dbraw/zinc/31/27/97/1195312797.db2.gz ZXQPWSHJPPYUKZ-UHFFFAOYSA-N -1 1 317.772 3.273 20 10 DGCDMM CCC(CC)c1cc(CNCc2cc([N+](=O)[O-])ccc2[O-])on1 ZINC001650621284 1195366301 /nfs/dbraw/zinc/36/63/01/1195366301.db2.gz KMISBRSXLMORBM-UHFFFAOYSA-N -1 1 319.361 3.482 20 10 DGCDMM O=C(CSc1ccc2c(c1)CCO2)c1ccc([O-])c(O)c1 ZINC001652036228 1195539798 /nfs/dbraw/zinc/53/97/98/1195539798.db2.gz OHDPTUPHTKVBLG-UHFFFAOYSA-N -1 1 302.351 3.008 20 10 DGCDMM COC(=O)c1ccc2c(c1)CCN2Cc1cccc(Cl)c1[O-] ZINC001652257414 1195571128 /nfs/dbraw/zinc/57/11/28/1195571128.db2.gz VUDKVBUSAMXEMO-UHFFFAOYSA-N -1 1 317.772 3.395 20 10 DGCDMM O=C1NCCc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC001652812934 1195654780 /nfs/dbraw/zinc/65/47/80/1195654780.db2.gz VMOGGDKCTQZNHR-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM O=C(NCCCc1cccc(Cl)c1)c1c([O-])c(O)ccc1F ZINC001654534142 1195815014 /nfs/dbraw/zinc/81/50/14/1195815014.db2.gz KTPSEMDGFWLYDZ-UHFFFAOYSA-N -1 1 323.751 3.253 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(-n2ccnn2)cc1 ZINC001657479348 1196148144 /nfs/dbraw/zinc/14/81/44/1196148144.db2.gz RGATWLOJAPBNEE-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001658464775 1196260492 /nfs/dbraw/zinc/26/04/92/1196260492.db2.gz AQGJDNHDBQAHTQ-CYBMUJFWSA-N -1 1 315.360 3.223 20 10 DGCDMM COC[C@@H](C)n1ccc(NCc2cc(Cl)cc(F)c2[O-])n1 ZINC001662275757 1196701858 /nfs/dbraw/zinc/70/18/58/1196701858.db2.gz MFLRAYZSSOMXPZ-SECBINFHSA-N -1 1 313.760 3.201 20 10 DGCDMM Cn1cc([C@@H](NCc2ccc(Cl)cc2[O-])C(F)(F)F)cn1 ZINC001664639708 1197024536 /nfs/dbraw/zinc/02/45/36/1197024536.db2.gz GWXPFAJFBMGNFJ-GFCCVEGCSA-N -1 1 319.714 3.172 20 10 DGCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccns1 ZINC001684467696 1199386381 /nfs/dbraw/zinc/38/63/81/1199386381.db2.gz QDHAWWBBBAKLAW-QMMMGPOBSA-N -1 1 311.794 3.063 20 10 DGCDMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001595019591 951313300 /nfs/dbraw/zinc/31/33/00/951313300.db2.gz UPFKUTALZJWLGL-JTQLQIEISA-N -1 1 315.772 3.262 20 10 DGCDMM O=C(CNc1ccc2[nH]ccc2c1F)c1ccc([O-])c(O)c1 ZINC001170320430 1082345457 /nfs/dbraw/zinc/34/54/57/1082345457.db2.gz AAOCWOWQXSNNLC-UHFFFAOYSA-N -1 1 300.289 3.013 20 10 DGCDMM O=C(CNc1cccc2[nH]cc(F)c21)c1ccc([O-])c(O)c1 ZINC001170322727 1082345987 /nfs/dbraw/zinc/34/59/87/1082345987.db2.gz OEIMOYFXCJYXKS-UHFFFAOYSA-N -1 1 300.289 3.013 20 10 DGCDMM O=C(CNc1cccc(-c2cccnc2)c1)c1ccc([O-])c(O)c1 ZINC001170322996 1082346681 /nfs/dbraw/zinc/34/66/81/1082346681.db2.gz RTXJQEXNAISKDC-UHFFFAOYSA-N -1 1 320.348 3.455 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CC(Oc2ccc(F)cc2)C1 ZINC001142527462 1087278099 /nfs/dbraw/zinc/27/80/99/1087278099.db2.gz VQZBACPNCLGUAZ-UHFFFAOYSA-N -1 1 309.287 3.073 20 10 DGCDMM CC(C)c1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(=O)[nH]1 ZINC001159034613 1088153777 /nfs/dbraw/zinc/15/37/77/1088153777.db2.gz YNXZHOXTQISRLB-UHFFFAOYSA-N -1 1 320.776 3.200 20 10 DGCDMM Cc1cccnc1/C=C/C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041311 1088156025 /nfs/dbraw/zinc/15/60/25/1088156025.db2.gz HSNUUCBPMARBFF-BQYQJAHWSA-N -1 1 302.761 3.079 20 10 DGCDMM O=C(CNc1nc(Cl)ccc1Cl)c1ccc([O-])c(O)c1 ZINC001159277267 1088264939 /nfs/dbraw/zinc/26/49/39/1088264939.db2.gz SIFIUCURJWLYIY-UHFFFAOYSA-N -1 1 313.140 3.094 20 10 DGCDMM CSc1cc(Cl)ncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159275844 1088266354 /nfs/dbraw/zinc/26/63/54/1088266354.db2.gz AZTLWZJCGMRVBJ-UHFFFAOYSA-N -1 1 324.789 3.163 20 10 DGCDMM O=C1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@@H]1F ZINC001236794118 1089884842 /nfs/dbraw/zinc/88/48/42/1089884842.db2.gz PWDXWVLJHHJHPN-NSHDSACASA-N -1 1 306.164 3.202 20 10 DGCDMM CCOC(=O)CN(Cc1c([O-])ccc(Cl)c1Cl)C1CC1 ZINC001237083430 1090284598 /nfs/dbraw/zinc/28/45/98/1090284598.db2.gz AAJGYXMQALQEPD-UHFFFAOYSA-N -1 1 318.200 3.227 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CCC(Oc2ccccn2)CC1 ZINC001139682667 1091641278 /nfs/dbraw/zinc/64/12/78/1091641278.db2.gz AQBWUSCCOLVVPF-UHFFFAOYSA-N -1 1 320.339 3.109 20 10 DGCDMM COc1ccc2c(c1)CN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139685628 1091641563 /nfs/dbraw/zinc/64/15/63/1091641563.db2.gz QKSJMILFSYNOEQ-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM [O-]c1cc(F)cc(F)c1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140583106 1091919957 /nfs/dbraw/zinc/91/99/57/1091919957.db2.gz WGRJUOUEHGHSSI-LBPRGKRZSA-N -1 1 313.241 3.394 20 10 DGCDMM Cc1cc(CC(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1ccccc1 ZINC001141578066 1092280396 /nfs/dbraw/zinc/28/03/96/1092280396.db2.gz DVGRBSQIBGSCOM-UHFFFAOYSA-N -1 1 324.384 3.012 20 10 DGCDMM O=C(NCc1ccccc1F)NCc1cccc(Cl)c1[O-] ZINC001220682267 1095137940 /nfs/dbraw/zinc/13/79/40/1095137940.db2.gz SZYDLWGIVOKMBT-UHFFFAOYSA-N -1 1 308.740 3.184 20 10 DGCDMM O=C(NCCc1cccs1)NCc1cccc(Cl)c1[O-] ZINC001221102945 1095201353 /nfs/dbraw/zinc/20/13/53/1095201353.db2.gz KQYHGJGLTAFTLX-UHFFFAOYSA-N -1 1 310.806 3.149 20 10 DGCDMM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137837559 1095759200 /nfs/dbraw/zinc/75/92/00/1095759200.db2.gz LUUYTQPTTRJENK-AWEZNQCLSA-N -1 1 309.381 3.228 20 10 DGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cccnc3)c([O-])cc21 ZINC001173858013 1097520728 /nfs/dbraw/zinc/52/07/28/1097520728.db2.gz HNFSGYOQHWWVEV-UHFFFAOYSA-N -1 1 316.316 3.306 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1CC2CC(C2)C1 ZINC001233030089 1098207234 /nfs/dbraw/zinc/20/72/34/1098207234.db2.gz MREWXXHXTFSOPA-UHFFFAOYSA-N -1 1 300.171 3.136 20 10 DGCDMM Cc1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233073852 1098219142 /nfs/dbraw/zinc/21/91/42/1098219142.db2.gz FKDZTIGYCHOKNL-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCOC[C@@H]1c1ccccc1 ZINC001233332235 1098291549 /nfs/dbraw/zinc/29/15/49/1098291549.db2.gz DKRAFNVCMHTNKF-OAHLLOKOSA-N -1 1 305.324 3.244 20 10 DGCDMM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418540 1098325946 /nfs/dbraw/zinc/32/59/46/1098325946.db2.gz LFYXCTCECVPJMI-TXEJJXNPSA-N -1 1 313.319 3.497 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1OCC[C@H]1COC(C)(C)O1 ZINC001233497818 1098351909 /nfs/dbraw/zinc/35/19/09/1098351909.db2.gz RSTFTHGUQVEIHT-NSHDSACASA-N -1 1 324.373 3.001 20 10 DGCDMM CC1(C)[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3[O-])C[C@@H]21 ZINC001235303673 1098951350 /nfs/dbraw/zinc/95/13/50/1098951350.db2.gz QATRTDVOAAUHII-PHIMTYICSA-N -1 1 314.198 3.382 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCCC(=O)CC2)c1 ZINC001236667444 1099733999 /nfs/dbraw/zinc/73/39/99/1099733999.db2.gz WLNCVFYOSLEHIA-UHFFFAOYSA-N -1 1 312.207 3.018 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN(C)CC(F)(F)F)c1 ZINC001236674161 1099736853 /nfs/dbraw/zinc/73/68/53/1099736853.db2.gz VSISFEVDDDVLOM-UHFFFAOYSA-N -1 1 312.129 3.457 20 10 DGCDMM COc1cc([O-])c(CN2CCC(F)(F)[C@H](F)C2)c(Cl)c1 ZINC001236799699 1099794030 /nfs/dbraw/zinc/79/40/30/1099794030.db2.gz WLGDUEIAFARLOO-GFCCVEGCSA-N -1 1 309.715 3.233 20 10 DGCDMM O=C1CN(Cc2c([O-])ccc(Cl)c2Cl)CCC[C@H]1F ZINC001237078641 1099958472 /nfs/dbraw/zinc/95/84/72/1099958472.db2.gz VTABSSQZWIVUOX-SNVBAGLBSA-N -1 1 306.164 3.202 20 10 DGCDMM CC[C@@]12C[C@@H](CO1)N(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237085387 1099963713 /nfs/dbraw/zinc/96/37/13/1099963713.db2.gz YXTAIJXPOLFKGN-XPTSAGLGSA-N -1 1 302.201 3.452 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@H]1c1cnccn1 ZINC001237938224 1100299151 /nfs/dbraw/zinc/29/91/51/1100299151.db2.gz ZHPQFIKKALAHQK-CQSZACIVSA-N -1 1 307.756 3.312 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@H](c2ccccn2)C1 ZINC001237949988 1100301079 /nfs/dbraw/zinc/30/10/79/1100301079.db2.gz QGEPZILXYHDCSI-INIZCTEOSA-N -1 1 322.767 3.153 20 10 DGCDMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(O)c([O-])c1Cl ZINC001193209679 1100717630 /nfs/dbraw/zinc/71/76/30/1100717630.db2.gz NIDCZXDTTSBGQJ-UHFFFAOYSA-N -1 1 302.717 3.485 20 10 DGCDMM COc1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001197794648 1101668415 /nfs/dbraw/zinc/66/84/15/1101668415.db2.gz NTTUMTPCKYLTRV-UHFFFAOYSA-N -1 1 306.749 3.376 20 10 DGCDMM Cc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC001310403281 1111558512 /nfs/dbraw/zinc/55/85/12/1111558512.db2.gz MAACVPUJVROUAC-UHFFFAOYSA-N -1 1 305.765 3.379 20 10 DGCDMM [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289220302 131366692 /nfs/dbraw/zinc/36/66/92/131366692.db2.gz CLNQQGHMJJMSLD-ZDUSSCGKSA-N -1 1 323.742 3.325 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000033656409 400383730 /nfs/dbraw/zinc/38/37/30/400383730.db2.gz AWEXSQAIUYWSEC-UHFFFAOYSA-N -1 1 318.181 3.500 20 10 DGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000375333997 433433380 /nfs/dbraw/zinc/43/33/80/433433380.db2.gz AYWFQAOLQHAIGB-CVEARBPZSA-N -1 1 323.820 3.392 20 10 DGCDMM Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)c1 ZINC000293835665 433888409 /nfs/dbraw/zinc/88/84/09/433888409.db2.gz GVJABBJADRWDSI-GFCCVEGCSA-N -1 1 309.772 3.137 20 10 DGCDMM Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000294300083 434076894 /nfs/dbraw/zinc/07/68/94/434076894.db2.gz PXYLJGHQOYMCDG-UHFFFAOYSA-N -1 1 323.751 3.246 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000890760546 617656958 /nfs/dbraw/zinc/65/69/58/617656958.db2.gz SSWNPMVDPFMURR-UHFFFAOYSA-N -1 1 304.777 3.035 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCc2ccccc2C1 ZINC000890760915 617657218 /nfs/dbraw/zinc/65/72/18/617657218.db2.gz DTUZFHHHPPHSMB-AWEZNQCLSA-N -1 1 315.800 3.467 20 10 DGCDMM O=C(C[C@@H]1CCC(F)(F)C1)NCc1cccc(Cl)c1[O-] ZINC000890759994 617657277 /nfs/dbraw/zinc/65/72/77/617657277.db2.gz YEFALDCMEHQENI-VIFPVBQESA-N -1 1 303.736 3.487 20 10 DGCDMM O=C(CCCc1ccccn1)NCc1cccc(Cl)c1[O-] ZINC000890760356 617657324 /nfs/dbraw/zinc/65/73/24/617657324.db2.gz PJSWDUSPXKMYMR-UHFFFAOYSA-N -1 1 304.777 3.080 20 10 DGCDMM CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000890759904 617657367 /nfs/dbraw/zinc/65/73/67/617657367.db2.gz VJZOYJFFSCPIAS-OAHLLOKOSA-N -1 1 318.804 3.497 20 10 DGCDMM Cc1nc(C(C)C)ncc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762370 617657918 /nfs/dbraw/zinc/65/79/18/617657918.db2.gz ANYWUYONFXUUGG-UHFFFAOYSA-N -1 1 319.792 3.197 20 10 DGCDMM CC(C)[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890762874 617658391 /nfs/dbraw/zinc/65/83/91/617658391.db2.gz KNAWLXTTYQBSJY-SMDDNHRTSA-N -1 1 311.809 3.113 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ncsc1C1CC1 ZINC000890763120 617658479 /nfs/dbraw/zinc/65/84/79/617658479.db2.gz NSXVCCZSRTVXFK-UHFFFAOYSA-N -1 1 308.790 3.310 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000890763566 617659045 /nfs/dbraw/zinc/65/90/45/617659045.db2.gz YIXBPJOGHQRSJN-ZDUSSCGKSA-N -1 1 311.809 3.257 20 10 DGCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000893448711 618559430 /nfs/dbraw/zinc/55/94/30/618559430.db2.gz GOVZMLVANUTQAI-LLVKDONJSA-N -1 1 319.792 3.044 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CC[C@H]2C(F)F)c1 ZINC000895431196 618782484 /nfs/dbraw/zinc/78/24/84/618782484.db2.gz KYRCXRQSPWTXSC-JTQLQIEISA-N -1 1 306.150 3.303 20 10 DGCDMM Cc1csc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537105 621645742 /nfs/dbraw/zinc/64/57/42/621645742.db2.gz VWKCQFGJZKYOAV-VHSXEESVSA-N -1 1 307.375 3.477 20 10 DGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000758775426 621800849 /nfs/dbraw/zinc/80/08/49/621800849.db2.gz WSJBHARZXLQVNB-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM CC[C@@]1(C)COCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000761110443 621987541 /nfs/dbraw/zinc/98/75/41/621987541.db2.gz OZPAZIOFXGIHRB-INIZCTEOSA-N -1 1 311.809 3.249 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@]12C[C@@H]1CCCC2 ZINC000867830997 622186988 /nfs/dbraw/zinc/18/69/88/622186988.db2.gz MTWMZDCCLAYZKH-NHYWBVRUSA-N -1 1 324.218 3.351 20 10 DGCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000765733233 622284763 /nfs/dbraw/zinc/28/47/63/622284763.db2.gz VSLJQNXAVWEQNR-SECBINFHSA-N -1 1 312.207 3.207 20 10 DGCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000765750723 622285370 /nfs/dbraw/zinc/28/53/70/622285370.db2.gz KVEAHBRDASVOEZ-VIFPVBQESA-N -1 1 314.223 3.453 20 10 DGCDMM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000123231252 622488525 /nfs/dbraw/zinc/48/85/25/622488525.db2.gz GGAUTPSFKWCKEC-SECBINFHSA-N -1 1 318.200 3.084 20 10 DGCDMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000775412209 623271875 /nfs/dbraw/zinc/27/18/75/623271875.db2.gz UXKUQIYTJOYAGH-NSHDSACASA-N -1 1 302.349 3.088 20 10 DGCDMM Cn1c(=O)oc2cc(NCc3cccc(Cl)c3[O-])ccc21 ZINC000777496269 623532396 /nfs/dbraw/zinc/53/23/96/623532396.db2.gz LEFRZACWXHTLAO-UHFFFAOYSA-N -1 1 304.733 3.103 20 10 DGCDMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(F)c1[O-] ZINC000778523597 623663881 /nfs/dbraw/zinc/66/38/81/623663881.db2.gz BMHANCUCZUSBFF-OAHLLOKOSA-N -1 1 306.381 3.075 20 10 DGCDMM CCc1ccc([C@H](COC)NCc2ccc(F)c(F)c2[O-])o1 ZINC000877043927 623774303 /nfs/dbraw/zinc/77/43/03/623774303.db2.gz SMROGNIQZNGBJV-ZDUSSCGKSA-N -1 1 311.328 3.303 20 10 DGCDMM CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475121 623899614 /nfs/dbraw/zinc/89/96/14/623899614.db2.gz MBJWBIMVHKMFAO-RKDXNWHRSA-N -1 1 310.348 3.153 20 10 DGCDMM CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877845630 624067326 /nfs/dbraw/zinc/06/73/26/624067326.db2.gz WCXYEQDFDYBISA-CQSZACIVSA-N -1 1 306.724 3.381 20 10 DGCDMM Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)cc(F)c1[O-])N2 ZINC000877861977 624073141 /nfs/dbraw/zinc/07/31/41/624073141.db2.gz RLASIECMPMZBCY-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM Cc1ccc2c(c1)N[C@@H](c1cc(Cl)c(F)cc1[O-])NC2=O ZINC000877864658 624073956 /nfs/dbraw/zinc/07/39/56/624073956.db2.gz PYJVTFHJRAPPSL-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM CC(C)CCCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783981333 624416213 /nfs/dbraw/zinc/41/62/13/624416213.db2.gz PTXKHXROKMSAHE-UHFFFAOYSA-N -1 1 308.374 3.430 20 10 DGCDMM Cc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Cl ZINC000784363723 624511746 /nfs/dbraw/zinc/51/17/46/624511746.db2.gz IWUPQKLFSMYHBC-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM CCC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCCC1 ZINC000784733708 624577858 /nfs/dbraw/zinc/57/78/58/624577858.db2.gz DJELEDKBSMEKGH-UHFFFAOYSA-N -1 1 306.358 3.184 20 10 DGCDMM CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])C(F)(F)F ZINC000786972323 624968798 /nfs/dbraw/zinc/96/87/98/624968798.db2.gz CCVPORRNROFWGX-PELKAZGASA-N -1 1 305.296 3.170 20 10 DGCDMM COCCOc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000882908575 625853848 /nfs/dbraw/zinc/85/38/48/625853848.db2.gz XCZMXQLATOMWIF-UHFFFAOYSA-N -1 1 309.312 3.308 20 10 DGCDMM O=C(Nc1ccc(NCc2cc(F)cc(F)c2[O-])cn1)C1CC1 ZINC000883072264 625916758 /nfs/dbraw/zinc/91/67/58/625916758.db2.gz GLDIELBHHAHGRD-UHFFFAOYSA-N -1 1 319.311 3.026 20 10 DGCDMM CC1=CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000797822648 626171206 /nfs/dbraw/zinc/17/12/06/626171206.db2.gz DEIPLDBIDLEOFW-UHFFFAOYSA-N -1 1 323.392 3.481 20 10 DGCDMM CC1=CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000797822648 626171207 /nfs/dbraw/zinc/17/12/07/626171207.db2.gz DEIPLDBIDLEOFW-UHFFFAOYSA-N -1 1 323.392 3.481 20 10 DGCDMM C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1c(O)cccc1F ZINC000886497014 627153208 /nfs/dbraw/zinc/15/32/08/627153208.db2.gz OMNVTMQAALMNCB-LBPRGKRZSA-N -1 1 316.376 3.084 20 10 DGCDMM C[C@@H](NCc1nccc(C(F)(F)F)n1)c1c([O-])cccc1F ZINC000886625305 627176201 /nfs/dbraw/zinc/17/62/01/627176201.db2.gz NEWHYVQJSKBNFM-MRVPVSSYSA-N -1 1 315.270 3.191 20 10 DGCDMM CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816520148 627801195 /nfs/dbraw/zinc/80/11/95/627801195.db2.gz HNFNSTGRROKXOR-LBPRGKRZSA-N -1 1 301.789 3.432 20 10 DGCDMM CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833695567 629642472 /nfs/dbraw/zinc/64/24/72/629642472.db2.gz RRNNDTUBVUCVAC-UHFFFAOYSA-N -1 1 316.376 3.222 20 10 DGCDMM CN(C)c1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833695567 629642475 /nfs/dbraw/zinc/64/24/75/629642475.db2.gz RRNNDTUBVUCVAC-UHFFFAOYSA-N -1 1 316.376 3.222 20 10 DGCDMM CCCc1ncc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000834899192 629802003 /nfs/dbraw/zinc/80/20/03/629802003.db2.gz JIMIZCJOYVOBCD-SNVBAGLBSA-N -1 1 305.334 3.092 20 10 DGCDMM CCN(C)c1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000846260847 631217461 /nfs/dbraw/zinc/21/74/61/631217461.db2.gz JZQAAAGLGLBXOD-UHFFFAOYSA-N -1 1 316.401 3.374 20 10 DGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCC(F)(F)CC1 ZINC000848391742 631652703 /nfs/dbraw/zinc/65/27/03/631652703.db2.gz OPGXTEHBHKSXHA-MRVPVSSYSA-N -1 1 317.307 3.181 20 10 DGCDMM CCn1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2[O-])nn1 ZINC000850522268 632178051 /nfs/dbraw/zinc/17/80/51/632178051.db2.gz KUWNKNWWZHCJHN-MRVPVSSYSA-N -1 1 315.204 3.161 20 10 DGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000189428480 656154969 /nfs/dbraw/zinc/15/49/69/656154969.db2.gz LMXNWAPZKGKNCL-UHFFFAOYSA-N -1 1 309.362 3.203 20 10 DGCDMM CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000048915884 661897426 /nfs/dbraw/zinc/89/74/26/661897426.db2.gz PHOSUMITCAMHFP-IINYFYTJSA-N -1 1 311.809 3.248 20 10 DGCDMM Nc1ccc(CCNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001580443564 1192027085 /nfs/dbraw/zinc/02/70/85/1192027085.db2.gz QEIVEXJQDSRSFC-UHFFFAOYSA-N -1 1 306.365 3.100 20 10 DGCDMM CC(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001620817452 1192141656 /nfs/dbraw/zinc/14/16/56/1192141656.db2.gz WORUDPGRKXJBQQ-UHFFFAOYSA-N -1 1 306.312 3.265 20 10 DGCDMM CCNC(=O)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001620837425 1192407520 /nfs/dbraw/zinc/40/75/20/1192407520.db2.gz SWSFSOPMIUZEGC-UHFFFAOYSA-N -1 1 306.312 3.032 20 10 DGCDMM O=C(NCc1cc(Cl)ccc1O)c1cc(Cl)ccc1[O-] ZINC001300400969 1180642384 /nfs/dbraw/zinc/64/23/84/1180642384.db2.gz QWNVQGPRJUYAEB-UHFFFAOYSA-N -1 1 312.152 3.335 20 10 DGCDMM C[C@H](NCc1nc(C2CC2)cs1)c1cc(C(=O)[O-])ccc1O ZINC001604348419 1193068470 /nfs/dbraw/zinc/06/84/70/1193068470.db2.gz GFOSOGDXHGQLDT-VIFPVBQESA-N -1 1 318.398 3.275 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCC[C@@H](F)C1 ZINC001357162281 1181362343 /nfs/dbraw/zinc/36/23/43/1181362343.db2.gz SORZIVOWBUUNRD-MNOVXSKESA-N -1 1 300.761 3.126 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccn(-c2ncccc2F)n1 ZINC001461351473 1182798154 /nfs/dbraw/zinc/79/81/54/1182798154.db2.gz IIYWVWQKDCAGCE-UHFFFAOYSA-N -1 1 320.274 3.002 20 10 DGCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])c(OC)n1 ZINC001461367665 1182801766 /nfs/dbraw/zinc/80/17/66/1182801766.db2.gz ZWPPPJOEHQFUTM-UHFFFAOYSA-N -1 1 312.728 3.209 20 10 DGCDMM CCOc1nc(C)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001606869528 1193207283 /nfs/dbraw/zinc/20/72/83/1193207283.db2.gz VFDUPEJGZVKXJG-UHFFFAOYSA-N -1 1 320.776 3.078 20 10 DGCDMM O=C(CCOc1cccc(F)c1)NCc1cccc(Cl)c1[O-] ZINC001472315910 1183634311 /nfs/dbraw/zinc/63/43/11/1183634311.db2.gz ILPXEYNGTTXXNR-UHFFFAOYSA-N -1 1 323.751 3.270 20 10 DGCDMM O=C(Cc1ccc(F)cc1F)NCc1cccc(Cl)c1[O-] ZINC001472316742 1183634537 /nfs/dbraw/zinc/63/45/37/1183634537.db2.gz FWQYCQCDGARKAR-UHFFFAOYSA-N -1 1 311.715 3.183 20 10 DGCDMM O=C1CCc2cc(NCc3cc(F)cc(F)c3[O-])ccc2N1 ZINC001473946675 1183834391 /nfs/dbraw/zinc/83/43/91/1183834391.db2.gz WLSICMGTQBEMCR-UHFFFAOYSA-N -1 1 304.296 3.167 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(-n2ccnc2)c1 ZINC001474063655 1183860313 /nfs/dbraw/zinc/86/03/13/1183860313.db2.gz YWEVXGUUCCKEIE-UHFFFAOYSA-N -1 1 301.296 3.468 20 10 DGCDMM COC(=O)c1ccc2c(c1)CCN2Cc1cc(F)cc(F)c1[O-] ZINC001474463539 1183925355 /nfs/dbraw/zinc/92/53/55/1183925355.db2.gz RTBFCJWQGJQJPF-UHFFFAOYSA-N -1 1 319.307 3.020 20 10 DGCDMM O=C([O-])CCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC001608712513 1193301044 /nfs/dbraw/zinc/30/10/44/1193301044.db2.gz HOYKILYIEQOABZ-UHFFFAOYSA-N -1 1 303.358 3.242 20 10 DGCDMM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001608824555 1193305732 /nfs/dbraw/zinc/30/57/32/1193305732.db2.gz AQUNUZAHYOLBKR-KXBFYZLASA-N -1 1 311.381 3.232 20 10 DGCDMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001608824555 1193305735 /nfs/dbraw/zinc/30/57/35/1193305735.db2.gz AQUNUZAHYOLBKR-KXBFYZLASA-N -1 1 311.381 3.232 20 10 DGCDMM Cc1cc(O)c(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC001610475356 1193391507 /nfs/dbraw/zinc/39/15/07/1193391507.db2.gz BWUPBFCVMGHFSS-SNVBAGLBSA-N -1 1 306.387 3.015 20 10 DGCDMM COc1ccccc1CCC(=O)NCc1cccc(Cl)c1[O-] ZINC001558757200 1189146591 /nfs/dbraw/zinc/14/65/91/1189146591.db2.gz UEMIJFZQRCXDCH-UHFFFAOYSA-N -1 1 319.788 3.303 20 10 DGCDMM CCOc1nc(NCc2cccc(Cl)c2[O-])ncc1Cl ZINC001559300319 1189194320 /nfs/dbraw/zinc/19/43/20/1189194320.db2.gz KWTSHUXEHYPWGY-UHFFFAOYSA-N -1 1 314.172 3.500 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC001561006528 1189419274 /nfs/dbraw/zinc/41/92/74/1189419274.db2.gz UDWATOLFISJLNI-CJNGLKHVSA-N -1 1 309.287 3.232 20 10 DGCDMM COc1cccc([C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640402609 1194811231 /nfs/dbraw/zinc/81/12/31/1194811231.db2.gz WGJKFDUYCIUFCM-LLVKDONJSA-N -1 1 319.788 3.474 20 10 DGCDMM C/C(=C\c1ccccc1)CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC001648710771 1195324210 /nfs/dbraw/zinc/32/42/10/1195324210.db2.gz QJZXOAUEKXPISG-ZRDIBKRKSA-N -1 1 315.344 3.412 20 10 DGCDMM Cn1nnc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC001652722353 1195640270 /nfs/dbraw/zinc/64/02/70/1195640270.db2.gz XVFSCEYPNWCRSI-UHFFFAOYSA-N -1 1 306.728 3.079 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1(c2ccccc2)CC1 ZINC001653563576 1195734172 /nfs/dbraw/zinc/73/41/72/1195734172.db2.gz CZMOBXNWVZPQPG-UHFFFAOYSA-N -1 1 301.773 3.394 20 10 DGCDMM COc1cc(CC(=O)NCc2cccc(Cl)c2[O-])ccc1C ZINC001653563952 1195734378 /nfs/dbraw/zinc/73/43/78/1195734378.db2.gz UTYRMRCVRZSVRT-UHFFFAOYSA-N -1 1 319.788 3.222 20 10 DGCDMM CC[C@@H]1C[N@H+](CC)CCN1Cc1c(O)ccc(Cl)c1F ZINC001659209869 1196358853 /nfs/dbraw/zinc/35/88/53/1196358853.db2.gz HAJCXRVZCQSUBR-LLVKDONJSA-N -1 1 300.805 3.101 20 10 DGCDMM CCc1nnc([C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC001662111895 1196682066 /nfs/dbraw/zinc/68/20/66/1196682066.db2.gz DBYUFQUEMRRUHG-SSDOTTSWSA-N -1 1 315.204 3.230 20 10 DGCDMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)NCc1cccc(Cl)c1[O-] ZINC001676091126 1198225931 /nfs/dbraw/zinc/22/59/31/1198225931.db2.gz BLHOXLSBWJFEPM-GVXVVHGQSA-N -1 1 308.809 3.281 20 10 DGCDMM O=C(NCc1cccc(F)c1)NCc1cccc(Cl)c1[O-] ZINC001676419756 1198318048 /nfs/dbraw/zinc/31/80/48/1198318048.db2.gz CGSYAQALDDZEBK-UHFFFAOYSA-N -1 1 308.740 3.184 20 10 DGCDMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086791734 957989301 /nfs/dbraw/zinc/98/93/01/957989301.db2.gz JLYOKXDXBKUTDN-JTQLQIEISA-N -1 1 304.173 3.138 20 10 DGCDMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086791731 957989544 /nfs/dbraw/zinc/98/95/44/957989544.db2.gz JLYOKXDXBKUTDN-SNVBAGLBSA-N -1 1 304.173 3.138 20 10 DGCDMM CC(C)c1cc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)on1 ZINC001591931552 976440138 /nfs/dbraw/zinc/44/01/38/976440138.db2.gz VFEXLPUYYBJCMP-JTQLQIEISA-N -1 1 304.346 3.053 20 10 DGCDMM C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000693494235 1082322615 /nfs/dbraw/zinc/32/26/15/1082322615.db2.gz HYOMNDODUQMEFA-KWQFWETISA-N -1 1 318.200 3.242 20 10 DGCDMM C[C@@H](OCc1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034081 1088153360 /nfs/dbraw/zinc/15/33/60/1088153360.db2.gz QXGRBDUQJORBLO-GFCCVEGCSA-N -1 1 319.788 3.267 20 10 DGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001139126576 1091456475 /nfs/dbraw/zinc/45/64/75/1091456475.db2.gz LGUQNNQHFJTSOQ-RHSMWYFYSA-N -1 1 323.339 3.079 20 10 DGCDMM CCN(Cc1ccc2c(c1)OCO2)Cc1c(F)ccc(F)c1[O-] ZINC001139690702 1091643376 /nfs/dbraw/zinc/64/33/76/1091643376.db2.gz ZTNVIVWKNDOUOA-UHFFFAOYSA-N -1 1 321.323 3.421 20 10 DGCDMM [O-]c1cccc(Cl)c1CN(Cc1cocn1)Cc1cocn1 ZINC001140341773 1091835040 /nfs/dbraw/zinc/83/50/40/1091835040.db2.gz HFIOFYWCUYKXDK-UHFFFAOYSA-N -1 1 319.748 3.224 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccccc1-n1nccn1 ZINC001207579267 1092027630 /nfs/dbraw/zinc/02/76/30/1092027630.db2.gz AHAYLJWZRHKAHC-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM O=c1ccn(-c2ccc(Nc3ccc4c(c3)OCCN4)cc2)[n-]1 ZINC001209792563 1092924756 /nfs/dbraw/zinc/92/47/56/1092924756.db2.gz QQDBQZWHKLZPOG-UHFFFAOYSA-N -1 1 308.341 3.126 20 10 DGCDMM Cc1cc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)ccn1 ZINC001216951927 1094283355 /nfs/dbraw/zinc/28/33/55/1094283355.db2.gz PXIJHOQOTFYNFI-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM Cc1nc(C(=O)[N-]c2c3nonc3ccc2Cl)sc1C ZINC001117507257 1095776019 /nfs/dbraw/zinc/77/60/19/1095776019.db2.gz FKYFIWVYYSZTAD-UHFFFAOYSA-N -1 1 308.750 3.202 20 10 DGCDMM O=C([O-])c1ccc(CN2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001231454151 1097753088 /nfs/dbraw/zinc/75/30/88/1097753088.db2.gz OMUKHONQEZYTNQ-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM Cc1ccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC001231911715 1097889728 /nfs/dbraw/zinc/88/97/28/1097889728.db2.gz KLDBUAWZUAJPFQ-UHFFFAOYSA-N -1 1 317.820 3.071 20 10 DGCDMM [O-]c1cc(O)c(CN2CCC[C@H](F)C(F)(F)C2)cc1Cl ZINC001232261211 1097985367 /nfs/dbraw/zinc/98/53/67/1097985367.db2.gz WZSKIOTUUOEIGJ-LBPRGKRZSA-N -1 1 309.715 3.320 20 10 DGCDMM O=C(C1CCN(Cc2c([O-])ccc(F)c2F)CC1)C(F)(F)F ZINC001233334425 1098291660 /nfs/dbraw/zinc/29/16/60/1098291660.db2.gz GGOVSJGYZIDZJC-UHFFFAOYSA-N -1 1 323.261 3.014 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCc2nc(Cl)ccc2C1 ZINC001233334410 1098291991 /nfs/dbraw/zinc/29/19/91/1098291991.db2.gz FSJLICLIPRJYJP-UHFFFAOYSA-N -1 1 310.731 3.277 20 10 DGCDMM [O-]c1c(CN2CC3(C2)CC(F)(F)CO3)cccc1C(F)(F)F ZINC001233419307 1098326056 /nfs/dbraw/zinc/32/60/56/1098326056.db2.gz SOJZRNOTHWCGFQ-UHFFFAOYSA-N -1 1 323.261 3.021 20 10 DGCDMM Cc1nc2c(o1)CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233419989 1098326418 /nfs/dbraw/zinc/32/64/18/1098326418.db2.gz VJUJEEOZAGUVSR-UHFFFAOYSA-N -1 1 312.291 3.266 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cc(C)cnc1F ZINC001234477099 1098566498 /nfs/dbraw/zinc/56/64/98/1098566498.db2.gz RFDRAPUCPPSSEJ-JTQLQIEISA-N -1 1 305.305 3.283 20 10 DGCDMM CC[C@@]12C[C@@H](CO1)N(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236800850 1099794704 /nfs/dbraw/zinc/79/47/04/1099794704.db2.gz YTCSOFKJNCZACV-HZMBPMFUSA-N -1 1 302.201 3.452 20 10 DGCDMM CC[N@H+](Cc1ccncc1)Cc1c(O)cc(OC)cc1Cl ZINC001236803067 1099797304 /nfs/dbraw/zinc/79/73/04/1099797304.db2.gz MJIVTUQVOHFAPT-UHFFFAOYSA-N -1 1 306.793 3.471 20 10 DGCDMM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@@H]1F ZINC001237078399 1099960038 /nfs/dbraw/zinc/96/00/38/1099960038.db2.gz RRWKSLUIBZEDEN-JTQLQIEISA-N -1 1 306.164 3.202 20 10 DGCDMM C[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CCC1(F)F ZINC001193218454 1100717865 /nfs/dbraw/zinc/71/78/65/1100717865.db2.gz ACIWWBQXAXCPNB-QMMMGPOBSA-N -1 1 319.735 3.259 20 10 DGCDMM Cc1cccc(C)c1CNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236569 1100719573 /nfs/dbraw/zinc/71/95/73/1100719573.db2.gz ICCBBQDBCBCKLK-UHFFFAOYSA-N -1 1 305.761 3.298 20 10 DGCDMM CC(C)[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cccnc1 ZINC001193255254 1100721678 /nfs/dbraw/zinc/72/16/78/1100721678.db2.gz RXUKGKDQLIOGRS-AWEZNQCLSA-N -1 1 320.776 3.273 20 10 DGCDMM CN1C(=O)CCc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC001201045458 1102482726 /nfs/dbraw/zinc/48/27/26/1102482726.db2.gz DFLPNFIIQGZRGW-UHFFFAOYSA-N -1 1 318.323 3.192 20 10 DGCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1C(N)=O ZINC001326281388 1103254718 /nfs/dbraw/zinc/25/47/18/1103254718.db2.gz YJZSGVXRDAITBK-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM CC(=O)c1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n[n-]1 ZINC001256940641 1106514591 /nfs/dbraw/zinc/51/45/91/1106514591.db2.gz JHLPBFDWRHRKIA-UHFFFAOYSA-N -1 1 319.324 3.120 20 10 DGCDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC001257614921 1106612657 /nfs/dbraw/zinc/61/26/57/1106612657.db2.gz OZAUPIVNSGNGIH-UHFFFAOYSA-N -1 1 315.753 3.294 20 10 DGCDMM CC(C)CS(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC001259883533 1107220065 /nfs/dbraw/zinc/22/00/65/1107220065.db2.gz HPIDNIXPUHJGIQ-UHFFFAOYSA-N -1 1 317.410 3.315 20 10 DGCDMM Cc1cccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1C ZINC001260999248 1107341978 /nfs/dbraw/zinc/34/19/78/1107341978.db2.gz RWNJVJDBBJRZTK-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM O=C(NCCCCCc1ccccc1)c1c([O-])c(O)ccc1F ZINC001306489984 1111231271 /nfs/dbraw/zinc/23/12/71/1111231271.db2.gz HPOQHMUPONNHFA-UHFFFAOYSA-N -1 1 317.360 3.380 20 10 DGCDMM CCOC(=O)[C@H](NCc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001308699458 1111463234 /nfs/dbraw/zinc/46/32/34/1111463234.db2.gz QMJCPTBEYFBIFY-MRXNPFEDSA-N -1 1 319.788 3.440 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@@H]1c1ccccc1 ZINC001312615303 1111662697 /nfs/dbraw/zinc/66/26/97/1111662697.db2.gz HRELDZYNYVIQPH-UKRRQHHQSA-N -1 1 316.788 3.401 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001313062130 1111691553 /nfs/dbraw/zinc/69/15/53/1111691553.db2.gz DSAGPMGUMCSUSK-NTZNESFSSA-N -1 1 308.809 3.281 20 10 DGCDMM CCN(Cc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093338737 193233963 /nfs/dbraw/zinc/23/39/63/193233963.db2.gz UMFFVURFRXEBSS-UHFFFAOYSA-N -1 1 321.764 3.371 20 10 DGCDMM C[C@@H](N[C@@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273568654 130139203 /nfs/dbraw/zinc/13/92/03/130139203.db2.gz KDSLJHUWDRDUCR-SFYZADRCSA-N -1 1 315.204 3.239 20 10 DGCDMM C[C@@H]1CC=CC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000287069699 131261960 /nfs/dbraw/zinc/26/19/60/131261960.db2.gz MQHDOUKMQRYEIV-ZYHUDNBSSA-N -1 1 324.218 3.373 20 10 DGCDMM CC1CCN(c2ccc(C[N-]C(=O)C(F)(F)F)cc2)CC1 ZINC000108295939 431132808 /nfs/dbraw/zinc/13/28/08/431132808.db2.gz FECPOHIKZFDYNA-UHFFFAOYSA-N -1 1 300.324 3.101 20 10 DGCDMM COCC1=CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000187620446 432673437 /nfs/dbraw/zinc/67/34/37/432673437.db2.gz BIDHQOZLMPFOEV-UHFFFAOYSA-N -1 1 302.201 3.478 20 10 DGCDMM O=C(CCC1CCC1)NCc1cccc(Br)c1[O-] ZINC000277425140 432849600 /nfs/dbraw/zinc/84/96/00/432849600.db2.gz DFUVIRSVNXCLJU-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C1=CCCCC1 ZINC000277469931 432853040 /nfs/dbraw/zinc/85/30/40/432853040.db2.gz HRWUSOOXNCBHGG-UHFFFAOYSA-N -1 1 310.191 3.271 20 10 DGCDMM Cn1ccnc1[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373228798 433138004 /nfs/dbraw/zinc/13/80/04/433138004.db2.gz NDMJGQZWMGCKMN-NSHDSACASA-N -1 1 323.799 3.298 20 10 DGCDMM Cc1cnn([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)c1 ZINC000293835668 433886803 /nfs/dbraw/zinc/88/68/03/433886803.db2.gz GVJABBJADRWDSI-LBPRGKRZSA-N -1 1 309.772 3.137 20 10 DGCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(C)(F)F ZINC000295232205 434267242 /nfs/dbraw/zinc/26/72/42/434267242.db2.gz CYDOUJJDNNAOPC-ZETCQYMHSA-N -1 1 322.149 3.062 20 10 DGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2ccsc2)CC1 ZINC000295693184 434432959 /nfs/dbraw/zinc/43/29/59/434432959.db2.gz INGJXUMUZNROOC-UHFFFAOYSA-N -1 1 321.373 3.318 20 10 DGCDMM O=C([O-])C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000738607526 574875063 /nfs/dbraw/zinc/87/50/63/574875063.db2.gz JKXOPVZBIOHZPL-UHFFFAOYSA-N -1 1 315.369 3.066 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000738607526 574875065 /nfs/dbraw/zinc/87/50/65/574875065.db2.gz JKXOPVZBIOHZPL-UHFFFAOYSA-N -1 1 315.369 3.066 20 10 DGCDMM CN(C)c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000744377291 575339114 /nfs/dbraw/zinc/33/91/14/575339114.db2.gz RAMFAOYTIWYPNQ-UHFFFAOYSA-N -1 1 304.777 3.042 20 10 DGCDMM CC(=C/c1ccccc1)/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000728696737 576195725 /nfs/dbraw/zinc/19/57/25/576195725.db2.gz BPZSSABPRQNAQV-PNKQLNASSA-N -1 1 304.349 3.094 20 10 DGCDMM CCc1sc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000916602474 620638602 /nfs/dbraw/zinc/63/86/02/620638602.db2.gz PHOPSDFAIALTSO-UHFFFAOYSA-N -1 1 320.366 3.070 20 10 DGCDMM CC[C@@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759724 617656314 /nfs/dbraw/zinc/65/63/14/617656314.db2.gz PHEUGXHCZYJTPI-DGCLKSJQSA-N -1 1 311.809 3.257 20 10 DGCDMM CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759094 617656405 /nfs/dbraw/zinc/65/64/05/617656405.db2.gz BZIWSMOCLONTCQ-DGCLKSJQSA-N -1 1 313.825 3.239 20 10 DGCDMM CCCc1nc(C)c(C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC000890759698 617656547 /nfs/dbraw/zinc/65/65/47/617656547.db2.gz OYCZTPIKGIIPRX-UHFFFAOYSA-N -1 1 308.765 3.225 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1CC2(CC2(F)F)C1 ZINC000890761121 617657074 /nfs/dbraw/zinc/65/70/74/617657074.db2.gz LGINAOMQAQXHHB-UHFFFAOYSA-N -1 1 301.720 3.097 20 10 DGCDMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000890760261 617657094 /nfs/dbraw/zinc/65/70/94/617657094.db2.gz MIKZZNQZNQWORG-NSHDSACASA-N -1 1 304.777 3.251 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CC1(Cl)Cl ZINC000891565598 617836714 /nfs/dbraw/zinc/83/67/14/617836714.db2.gz JPGYUEJBYOXJAZ-QMMMGPOBSA-N -1 1 323.607 3.039 20 10 DGCDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000893448713 618559416 /nfs/dbraw/zinc/55/94/16/618559416.db2.gz GOVZMLVANUTQAI-NSHDSACASA-N -1 1 319.792 3.044 20 10 DGCDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])CC(F)(F)F ZINC000895366786 618603504 /nfs/dbraw/zinc/60/35/04/618603504.db2.gz NJHBFEIJPGHWIC-MRVPVSSYSA-N -1 1 324.730 3.433 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCC(F)(F)C1 ZINC000893750514 618658886 /nfs/dbraw/zinc/65/88/86/618658886.db2.gz UKOTVAVPJDVYOI-JTQLQIEISA-N -1 1 318.751 3.423 20 10 DGCDMM C[C@]1(CCNC(=O)NCc2cccc(Cl)c2[O-])CC1(F)F ZINC000895795129 618832651 /nfs/dbraw/zinc/83/26/51/618832651.db2.gz CAXVOXWOZYVEOD-ZDUSSCGKSA-N -1 1 318.751 3.280 20 10 DGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000769447581 620885717 /nfs/dbraw/zinc/88/57/17/620885717.db2.gz SNBWKBLCYAGOIF-LLVKDONJSA-N -1 1 316.810 3.281 20 10 DGCDMM Cc1csc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537106 621645954 /nfs/dbraw/zinc/64/59/54/621645954.db2.gz VWKCQFGJZKYOAV-ZJUUUORDSA-N -1 1 307.375 3.477 20 10 DGCDMM C[C@H](NCc1ccon1)c1cc(Br)c(F)cc1[O-] ZINC000756637687 621654572 /nfs/dbraw/zinc/65/45/72/621654572.db2.gz ONMMBYJNNRTVKP-ZETCQYMHSA-N -1 1 315.142 3.133 20 10 DGCDMM C[C@@H](NCc1ccon1)c1cc(Br)cc(F)c1[O-] ZINC000756635740 621654601 /nfs/dbraw/zinc/65/46/01/621654601.db2.gz HIHIAHHMTZQDKN-SSDOTTSWSA-N -1 1 315.142 3.133 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(F)F)c1[O-] ZINC000761116525 621988101 /nfs/dbraw/zinc/98/81/01/621988101.db2.gz CLQGXTWEDOVLNW-LBPRGKRZSA-N -1 1 303.736 3.478 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@]12C[C@H]1CCCC2 ZINC000867830996 622187037 /nfs/dbraw/zinc/18/70/37/622187037.db2.gz MTWMZDCCLAYZKH-IAQYHMDHSA-N -1 1 324.218 3.351 20 10 DGCDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765727309 622284292 /nfs/dbraw/zinc/28/42/92/622284292.db2.gz LJBWJEZTTMWHNZ-UHFFFAOYSA-N -1 1 310.191 3.271 20 10 DGCDMM C[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765770964 622286266 /nfs/dbraw/zinc/28/62/66/622286266.db2.gz UGFRFIIDNWRBIY-UWVGGRQHSA-N -1 1 312.207 3.207 20 10 DGCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([O-])c(F)c1 ZINC000767303503 622388936 /nfs/dbraw/zinc/38/89/36/622388936.db2.gz ZNJYHCGMLRVOAC-UHFFFAOYSA-N -1 1 314.360 3.062 20 10 DGCDMM Cc1cc(C)c(CCNC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC000789994145 625591915 /nfs/dbraw/zinc/59/19/15/625591915.db2.gz LXJYZNYNDCOURN-UHFFFAOYSA-N -1 1 317.360 3.135 20 10 DGCDMM Cc1ccc(SCCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000790069188 625599792 /nfs/dbraw/zinc/59/97/92/625599792.db2.gz NJKPWDWWVZQGCX-UHFFFAOYSA-N -1 1 321.373 3.067 20 10 DGCDMM CC(C)CN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774545893 623158969 /nfs/dbraw/zinc/15/89/69/623158969.db2.gz BLTDPANALQVSGY-QGZVFWFLSA-N -1 1 318.804 3.285 20 10 DGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000775281608 623249298 /nfs/dbraw/zinc/24/92/98/623249298.db2.gz XLDBKWQQYFALGM-UHFFFAOYSA-N -1 1 320.395 3.111 20 10 DGCDMM O=C1NCCc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000777496556 623532439 /nfs/dbraw/zinc/53/24/39/623532439.db2.gz PFVJWBGEVXGRQE-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM CC1(C)N[C@@H](c2cccc(F)c2[O-])N(CC2CCCCC2)C1=O ZINC000877857007 624071446 /nfs/dbraw/zinc/07/14/46/624071446.db2.gz JYQOHAVOLBTDDM-MRXNPFEDSA-N -1 1 320.408 3.321 20 10 DGCDMM Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)cc(F)c1[O-])N2 ZINC000877861978 624073439 /nfs/dbraw/zinc/07/34/39/624073439.db2.gz RLASIECMPMZBCY-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000781896039 624166617 /nfs/dbraw/zinc/16/66/17/624166617.db2.gz GMJHFZOKHPYCSJ-QWRGUYRKSA-N -1 1 314.223 3.072 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C)[C@H]2C)c1 ZINC000781908685 624169219 /nfs/dbraw/zinc/16/92/19/624169219.db2.gz KXKKEUVQFXMZSF-GHMZBOCLSA-N -1 1 314.223 3.072 20 10 DGCDMM CC(C)c1ccsc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783114514 624311136 /nfs/dbraw/zinc/31/11/36/624311136.db2.gz WTXOITHGILDOEP-UHFFFAOYSA-N -1 1 320.366 3.322 20 10 DGCDMM Cc1cc(Cl)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784169875 624449542 /nfs/dbraw/zinc/44/95/42/624449542.db2.gz GONWVPCEIPYWKV-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(F)ccc1Cl ZINC000129941709 625800429 /nfs/dbraw/zinc/80/04/29/625800429.db2.gz UCVREVLLWRXRFH-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1F ZINC000883157496 625947011 /nfs/dbraw/zinc/94/70/11/625947011.db2.gz AEBYVXNUVURICO-RFAUZJTJSA-N -1 1 311.303 3.021 20 10 DGCDMM NC(=O)Nc1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000816625098 627816710 /nfs/dbraw/zinc/81/67/10/627816710.db2.gz RCJJNSXXQVOKDK-UHFFFAOYSA-N -1 1 309.728 3.287 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](CO)c2ccccc21 ZINC000816636676 627816829 /nfs/dbraw/zinc/81/68/29/627816829.db2.gz DVPDYNMOGBIMIZ-NSHDSACASA-N -1 1 307.752 3.281 20 10 DGCDMM C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C(=O)[O-] ZINC000818631949 628045017 /nfs/dbraw/zinc/04/50/17/628045017.db2.gz WQSXVSYPHHDRGM-UFBFGSQYSA-N -1 1 318.200 3.384 20 10 DGCDMM CN(C)C(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000793592038 661048299 /nfs/dbraw/zinc/04/82/99/661048299.db2.gz IOXSEEGCVCNOGT-UHFFFAOYSA-N -1 1 322.767 3.499 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cn1 ZINC000795331017 661140865 /nfs/dbraw/zinc/14/08/65/661140865.db2.gz PNHAJXMOULGOOA-UHFFFAOYSA-N -1 1 320.414 3.328 20 10 DGCDMM CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CCCO1 ZINC000305961581 655572458 /nfs/dbraw/zinc/57/24/58/655572458.db2.gz PBSHMNPLLZSHCA-GFCCVEGCSA-N -1 1 314.223 3.156 20 10 DGCDMM CNC(=O)c1ccc(C)c(NCc2cccc(Cl)c2[O-])c1 ZINC000158059310 659134650 /nfs/dbraw/zinc/13/46/50/659134650.db2.gz BNPCBYWDOXFVDY-UHFFFAOYSA-N -1 1 304.777 3.326 20 10 DGCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(OC(F)F)cc1C ZINC000174052171 659410712 /nfs/dbraw/zinc/41/07/12/659410712.db2.gz HFXBTPVKQOCYMC-BJMVGYQFSA-N -1 1 315.366 3.394 20 10 DGCDMM CCc1onc(C)c1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000930575922 661412176 /nfs/dbraw/zinc/41/21/76/661412176.db2.gz URXXQUKTEVNIQV-UHFFFAOYSA-N -1 1 309.753 3.226 20 10 DGCDMM CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ncco3)CC2)c1O ZINC000931448460 661477165 /nfs/dbraw/zinc/47/71/65/661477165.db2.gz GBSKRAAXRIEVSU-UHFFFAOYSA-N -1 1 318.348 3.102 20 10 DGCDMM CC(C)Oc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C#N ZINC000193142732 662123941 /nfs/dbraw/zinc/12/39/41/662123941.db2.gz APBQQTREAHRKFL-UHFFFAOYSA-N -1 1 312.325 3.009 20 10 DGCDMM CC(C)c1ocnc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001342950054 1179215187 /nfs/dbraw/zinc/21/51/87/1179215187.db2.gz GACLYTDLWBBMHB-UHFFFAOYSA-N -1 1 306.709 3.240 20 10 DGCDMM CCCC[C@H](COC)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001343099604 1179234062 /nfs/dbraw/zinc/23/40/62/1179234062.db2.gz REGLPZSSOAUNQE-GFCCVEGCSA-N -1 1 314.813 3.050 20 10 DGCDMM Cc1cnc(Cl)c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001647830086 1195256221 /nfs/dbraw/zinc/25/62/21/1195256221.db2.gz IADUEWOANSEDAR-UHFFFAOYSA-N -1 1 311.168 3.332 20 10 DGCDMM Cc1cccnc1[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001358475718 1181498307 /nfs/dbraw/zinc/49/83/07/1181498307.db2.gz OEVOCOLJFZFGLI-NSHDSACASA-N -1 1 319.792 3.309 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC001461905622 1182874204 /nfs/dbraw/zinc/87/42/04/1182874204.db2.gz ANPKMVWNSBXBFI-QGZVFWFLSA-N -1 1 323.314 3.383 20 10 DGCDMM CCCCCc1cc(C(=O)NCc2cccc(Cl)c2[O-])[nH]n1 ZINC001472316765 1183634185 /nfs/dbraw/zinc/63/41/85/1183634185.db2.gz GKBHYYNEWRTPCU-UHFFFAOYSA-N -1 1 321.808 3.431 20 10 DGCDMM Cc1cc([C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])ccc1F ZINC001607612405 1193240929 /nfs/dbraw/zinc/24/09/29/1193240929.db2.gz NQATUFGLDAHBGD-HNNXBMFYSA-N -1 1 323.751 3.409 20 10 DGCDMM CC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001476435271 1184039585 /nfs/dbraw/zinc/03/95/85/1184039585.db2.gz NMPDUIWZEVIPNQ-VIFPVBQESA-N -1 1 310.703 3.186 20 10 DGCDMM CCn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C(C)C)n1 ZINC001558757201 1189146274 /nfs/dbraw/zinc/14/62/74/1189146274.db2.gz UJAIYEHPXCGNIT-UHFFFAOYSA-N -1 1 321.808 3.315 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCc2cc(Cl)ccc2C1 ZINC001558963754 1189159478 /nfs/dbraw/zinc/15/94/78/1189159478.db2.gz CQJIGOXHLRQDLP-UHFFFAOYSA-N -1 1 321.735 3.089 20 10 DGCDMM CCc1nc([C@H]2CCCCN2Cc2cc(F)c(F)cc2[O-])no1 ZINC001621185482 1193815033 /nfs/dbraw/zinc/81/50/33/1193815033.db2.gz GWVKKZONAABWKK-CYBMUJFWSA-N -1 1 323.343 3.343 20 10 DGCDMM COc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001628674231 1194191372 /nfs/dbraw/zinc/19/13/72/1194191372.db2.gz FIGXMMMERAEPLY-UHFFFAOYSA-N -1 1 320.776 3.054 20 10 DGCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccn1 ZINC001629421645 1194233093 /nfs/dbraw/zinc/23/30/93/1194233093.db2.gz XRMDRMUWAYPXEM-SNVBAGLBSA-N -1 1 305.765 3.001 20 10 DGCDMM O=C(NCc1c(O)ccc2ccccc21)c1ccc(F)c([O-])c1 ZINC001635968912 1194583202 /nfs/dbraw/zinc/58/32/02/1194583202.db2.gz JGAPOTMQSRKLQA-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM O=C(/C=C/c1cccc(O)c1)NCc1cccc(Cl)c1[O-] ZINC001637227188 1194657792 /nfs/dbraw/zinc/65/77/92/1194657792.db2.gz QOXYCXNYFKQSNS-BQYQJAHWSA-N -1 1 303.745 3.081 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2ncccc2o1 ZINC001637232162 1194657925 /nfs/dbraw/zinc/65/79/25/1194657925.db2.gz LUEUAKMHCXXQRV-UHFFFAOYSA-N -1 1 302.717 3.117 20 10 DGCDMM CO/C(=C/c1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001637227126 1194658240 /nfs/dbraw/zinc/65/82/40/1194658240.db2.gz ODFQDRPMGFJJKT-XNTDXEJSSA-N -1 1 317.772 3.349 20 10 DGCDMM CCc1nccc(NCc2cccc(Br)c2[O-])n1 ZINC001639875040 1194785600 /nfs/dbraw/zinc/78/56/00/1194785600.db2.gz YSTLDSQISCENOI-UHFFFAOYSA-N -1 1 308.179 3.119 20 10 DGCDMM Cc1cc(F)cc(C(=O)NCc2cccc(Cl)c2[O-])c1N ZINC001640404468 1194811718 /nfs/dbraw/zinc/81/17/18/1194811718.db2.gz BEFDHOMLICHRET-UHFFFAOYSA-N -1 1 308.740 3.005 20 10 DGCDMM Cc1ccc(F)c(N)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001647830202 1195256304 /nfs/dbraw/zinc/25/63/04/1195256304.db2.gz NIUBLUIGWGHKJS-UHFFFAOYSA-N -1 1 308.740 3.005 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](F)Cc1ccccc1 ZINC001648606427 1195313264 /nfs/dbraw/zinc/31/32/64/1195313264.db2.gz QLSIEWGDXCXDDY-CQSZACIVSA-N -1 1 307.752 3.243 20 10 DGCDMM Cc1ncccc1/C=C/C(=O)NCc1cccc(Cl)c1[O-] ZINC001648605913 1195313289 /nfs/dbraw/zinc/31/32/89/1195313289.db2.gz DTDQKMJYGZKISV-BQYQJAHWSA-N -1 1 302.761 3.079 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2COc3ccc(Cl)cc32)c1 ZINC001650753526 1195378187 /nfs/dbraw/zinc/37/81/87/1195378187.db2.gz LACKYYYJAFNBMR-ZDUSSCGKSA-N -1 1 320.732 3.177 20 10 DGCDMM CN(CCO)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001655878122 1195972365 /nfs/dbraw/zinc/97/23/65/1195972365.db2.gz DXSRGWRZCJKZML-UHFFFAOYSA-N -1 1 324.783 3.225 20 10 DGCDMM CCOC(=O)[C@@H](CCCC(C)C)NCc1cccc(F)c1[O-] ZINC001659991951 1196435507 /nfs/dbraw/zinc/43/55/07/1196435507.db2.gz CYPMJNJBJUZUBW-OAHLLOKOSA-N -1 1 311.397 3.379 20 10 DGCDMM CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)cc(F)c1[O-] ZINC001664189826 1196978725 /nfs/dbraw/zinc/97/87/25/1196978725.db2.gz HYJIWYHPXZVVME-UHFFFAOYSA-N -1 1 320.339 3.135 20 10 DGCDMM Cn1cc([C@H](NCc2ccc(Cl)cc2[O-])C(F)(F)F)cn1 ZINC001664639709 1197024146 /nfs/dbraw/zinc/02/41/46/1197024146.db2.gz GWXPFAJFBMGNFJ-LBPRGKRZSA-N -1 1 319.714 3.172 20 10 DGCDMM COc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001667104339 1197318409 /nfs/dbraw/zinc/31/84/09/1197318409.db2.gz XFVNOSOZDCIJES-UHFFFAOYSA-N -1 1 306.749 3.376 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C)cc1O ZINC000235897483 1202605033 /nfs/dbraw/zinc/60/50/33/1202605033.db2.gz RFXTZSIHVNHFRR-UHFFFAOYSA-N -1 1 311.790 3.463 20 10 DGCDMM CC(C)SCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001591823901 976079943 /nfs/dbraw/zinc/07/99/43/976079943.db2.gz PZLKQFSGBOYMIU-UHFFFAOYSA-N -1 1 317.838 3.074 20 10 DGCDMM CC(C)SCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001591823901 976079957 /nfs/dbraw/zinc/07/99/57/976079957.db2.gz PZLKQFSGBOYMIU-UHFFFAOYSA-N -1 1 317.838 3.074 20 10 DGCDMM CN(C)c1ccc(CN(C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001598519189 992657317 /nfs/dbraw/zinc/65/73/17/992657317.db2.gz JVGVELDLKZRGTG-KHPPLWFESA-N -1 1 314.385 3.075 20 10 DGCDMM CN(Cc1ccoc1)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001598532521 992800549 /nfs/dbraw/zinc/80/05/49/992800549.db2.gz WXWHMLCOJCVONX-UHFFFAOYSA-N -1 1 316.332 3.241 20 10 DGCDMM C[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)[C@H]1CO ZINC001236794149 1099786672 /nfs/dbraw/zinc/78/66/72/1099786672.db2.gz QEEATGNXDMPRRV-ZANVPECISA-N -1 1 304.217 3.292 20 10 DGCDMM O=C(CNc1cc2cc(F)ccc2cn1)c1ccc([O-])c(O)c1 ZINC001170317088 1082345547 /nfs/dbraw/zinc/34/55/47/1082345547.db2.gz YKUCLYOZERDTLJ-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(F)c1 ZINC001159033741 1088152659 /nfs/dbraw/zinc/15/26/59/1088152659.db2.gz NGRFJMNRNJBWEO-UHFFFAOYSA-N -1 1 322.767 3.181 20 10 DGCDMM CCc1cc2c(ccnc2NCC(=O)c2ccc([O-])c(O)c2)o1 ZINC001159280110 1088269194 /nfs/dbraw/zinc/26/91/94/1088269194.db2.gz AJUFCDBUOGUYKW-UHFFFAOYSA-N -1 1 312.325 3.096 20 10 DGCDMM CN1CCN(Cc2c([O-])cc(F)cc2F)[C@@H](c2ccccc2)C1 ZINC001140580359 1091918363 /nfs/dbraw/zinc/91/83/63/1091918363.db2.gz YYVFJHPRHRZVFX-QGZVFWFLSA-N -1 1 318.367 3.159 20 10 DGCDMM [O-]c1cc(F)cc(F)c1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140582987 1091919578 /nfs/dbraw/zinc/91/95/78/1091919578.db2.gz RYMQYRSCVVCWNN-GMSGAONNSA-N -1 1 313.241 3.250 20 10 DGCDMM CN(Cc1ccc2c(c1)OCCO2)Cc1c([O-])cc(F)cc1F ZINC001140583170 1091919661 /nfs/dbraw/zinc/91/96/61/1091919661.db2.gz XUZAVEVZVHTAGL-UHFFFAOYSA-N -1 1 321.323 3.074 20 10 DGCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1cccc([O-])c1F ZINC001150386625 1092775931 /nfs/dbraw/zinc/77/59/31/1092775931.db2.gz LAPPBSVQHCGPJB-UHFFFAOYSA-N -1 1 315.344 3.046 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)CC2)c1[O-] ZINC000404757732 1094267500 /nfs/dbraw/zinc/26/75/00/1094267500.db2.gz CIYNBIMCLPBCHR-UHFFFAOYSA-N -1 1 303.736 3.479 20 10 DGCDMM Cc1cccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)n1 ZINC001216953263 1094283426 /nfs/dbraw/zinc/28/34/26/1094283426.db2.gz FLKQFYXVASDCJI-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM CNC(=O)Cc1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC001338928152 1095439394 /nfs/dbraw/zinc/43/93/94/1095439394.db2.gz BHNOUPAAUSXCFF-UHFFFAOYSA-N -1 1 322.767 3.085 20 10 DGCDMM COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454950 1097753753 /nfs/dbraw/zinc/75/37/53/1097753753.db2.gz LBNOPEXCWFYFBV-LBPRGKRZSA-N -1 1 315.369 3.292 20 10 DGCDMM CN(Cc1cnc(Cl)s1)Cc1c([O-])ccc(F)c1F ZINC001233332435 1098291275 /nfs/dbraw/zinc/29/12/75/1098291275.db2.gz KZYWLTLWLJQZEF-UHFFFAOYSA-N -1 1 304.749 3.412 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2ccccc2F)CC1 ZINC001233334854 1098293003 /nfs/dbraw/zinc/29/30/03/1098293003.db2.gz WXKWTVDOLANSOK-UHFFFAOYSA-N -1 1 322.330 3.132 20 10 DGCDMM [O-]c1c(CN2CCc3cccnc3C2)cccc1C(F)(F)F ZINC001233418915 1098324485 /nfs/dbraw/zinc/32/44/85/1098324485.db2.gz BMJHVNWNSITRKG-UHFFFAOYSA-N -1 1 308.303 3.364 20 10 DGCDMM [O-]c1c(CN2Cc3ncsc3C2)cccc1C(F)(F)F ZINC001233419435 1098325877 /nfs/dbraw/zinc/32/58/77/1098325877.db2.gz XJKWBXNUZYMNOH-UHFFFAOYSA-N -1 1 300.305 3.383 20 10 DGCDMM CN(Cc1nccs1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418287 1098325980 /nfs/dbraw/zinc/32/59/80/1098325980.db2.gz AIWUQEAAROLRSV-UHFFFAOYSA-N -1 1 302.321 3.500 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ncccn1 ZINC001233495623 1098351032 /nfs/dbraw/zinc/35/10/32/1098351032.db2.gz QCEMUNOMVCJJAI-SNVBAGLBSA-N -1 1 302.330 3.011 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOc2ccccc21 ZINC001234474723 1098563905 /nfs/dbraw/zinc/56/39/05/1098563905.db2.gz WNXMXNNBKNZKDV-MRXNPFEDSA-N -1 1 300.310 3.203 20 10 DGCDMM COc1ccccc1[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473375 1098564391 /nfs/dbraw/zinc/56/43/91/1098564391.db2.gz FQGMJUWOJDAATF-NSHDSACASA-N -1 1 302.326 3.449 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)COc1ccc(C)cc1 ZINC001234476718 1098566684 /nfs/dbraw/zinc/56/66/84/1098566684.db2.gz OHFFTNHPWPHJER-LBPRGKRZSA-N -1 1 316.353 3.455 20 10 DGCDMM COc1cc(NC(C)=O)ccc1NCc1cc(F)cc(F)c1[O-] ZINC001178228305 1098763692 /nfs/dbraw/zinc/76/36/92/1098763692.db2.gz AQGLHYHWFQZOBO-UHFFFAOYSA-N -1 1 322.311 3.250 20 10 DGCDMM O=C1c2ccccc2-c2cccc([N-]S(=O)(=O)C3CCC3)c21 ZINC001188137367 1099694490 /nfs/dbraw/zinc/69/44/90/1099694490.db2.gz ANJOPJGXPHFQKO-UHFFFAOYSA-N -1 1 313.378 3.192 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCC(=O)C[C@@H]2C)c1 ZINC001236664355 1099728754 /nfs/dbraw/zinc/72/87/54/1099728754.db2.gz SVUMSRAVSRUHKG-JTQLQIEISA-N -1 1 312.207 3.017 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001236797650 1099790839 /nfs/dbraw/zinc/79/08/39/1099790839.db2.gz DGIZNCPMFNRVBD-UHFFFAOYSA-N -1 1 324.154 3.309 20 10 DGCDMM CCOC(=O)[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237083249 1099961274 /nfs/dbraw/zinc/96/12/74/1099961274.db2.gz AILKWVRJDKBWSV-NSHDSACASA-N -1 1 318.200 3.227 20 10 DGCDMM COC(=O)CN(Cc1c([O-])ccc(F)c1Cl)C1CCCC1 ZINC001237127814 1099984026 /nfs/dbraw/zinc/98/40/26/1099984026.db2.gz FXOVEERFPWXECC-UHFFFAOYSA-N -1 1 315.772 3.102 20 10 DGCDMM C=Cc1ccc(CNC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193236426 1100719278 /nfs/dbraw/zinc/71/92/78/1100719278.db2.gz CDTFUZXHABYPQC-UHFFFAOYSA-N -1 1 303.745 3.324 20 10 DGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@H]1c1nccs1 ZINC001193232343 1100719695 /nfs/dbraw/zinc/71/96/95/1100719695.db2.gz INQMILLINOTBID-SECBINFHSA-N -1 1 324.789 3.185 20 10 DGCDMM O=C(Nc1cc(O)cc(Cl)c1)c1ccc(O)c([O-])c1Cl ZINC001193228924 1100721980 /nfs/dbraw/zinc/72/19/80/1100721980.db2.gz AQNJNZFGDNWIQB-UHFFFAOYSA-N -1 1 314.124 3.363 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC2CC2)c1[O-] ZINC001198041432 1101747095 /nfs/dbraw/zinc/74/70/95/1101747095.db2.gz DXSRCVPKXBUMQF-OAHLLOKOSA-N -1 1 323.820 3.249 20 10 DGCDMM CC(C)(C)c1nc(C(=O)[N-]c2c3nonc3ccc2Cl)co1 ZINC001330439769 1104551836 /nfs/dbraw/zinc/55/18/36/1104551836.db2.gz CEHGNPWXZSZBFK-UHFFFAOYSA-N -1 1 320.736 3.414 20 10 DGCDMM O=S(=O)(/C=C/c1ccccc1)Nc1cc(F)c([O-])cc1F ZINC001253042364 1105881208 /nfs/dbraw/zinc/88/12/08/1105881208.db2.gz CGZRKDNEJJDSGQ-VOTSOKGWSA-N -1 1 311.309 3.083 20 10 DGCDMM Cc1ccc(C)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001254794575 1106142672 /nfs/dbraw/zinc/14/26/72/1106142672.db2.gz XBFSGAKSAQQHCX-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1cccc(Cl)c1 ZINC001256795328 1106484761 /nfs/dbraw/zinc/48/47/61/1106484761.db2.gz CUCVWEARRAEDGT-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM Cc1cc(C)cc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001259524404 1107159918 /nfs/dbraw/zinc/15/99/18/1107159918.db2.gz QERZQWLPLCNFEW-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@]2(C)C2CC2)c1[O-] ZINC001308143691 1111384157 /nfs/dbraw/zinc/38/41/57/1111384157.db2.gz VNZMLQWHVLCKFM-QGZVFWFLSA-N -1 1 323.820 3.249 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001312615301 1111662646 /nfs/dbraw/zinc/66/26/46/1111662646.db2.gz HRELDZYNYVIQPH-DZGCQCFKSA-N -1 1 316.788 3.401 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cc[nH]n2)c1[O-] ZINC000286123938 131220298 /nfs/dbraw/zinc/22/02/98/131220298.db2.gz MGXBVVUDILYEPX-HNNXBMFYSA-N -1 1 319.792 3.308 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CNC2(c3nccs3)CCCC2)c1 ZINC000116374524 431506954 /nfs/dbraw/zinc/50/69/54/431506954.db2.gz ZVWDWQWDDRQXQT-UHFFFAOYSA-N -1 1 319.386 3.316 20 10 DGCDMM CC(C)[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277427170 432848942 /nfs/dbraw/zinc/84/89/42/432848942.db2.gz DJIMNFLMKCRVPH-SECBINFHSA-N -1 1 300.196 3.063 20 10 DGCDMM CC(C)(C)OCc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)no1 ZINC000296383261 432902624 /nfs/dbraw/zinc/90/26/24/432902624.db2.gz JHVGVMXJKAKOAW-HNNXBMFYSA-N -1 1 316.401 3.472 20 10 DGCDMM CC(C)c1nnc(CNCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000294756452 434131149 /nfs/dbraw/zinc/13/11/49/434131149.db2.gz ISHYKFIAHUMMDU-UHFFFAOYSA-N -1 1 315.204 3.230 20 10 DGCDMM Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000365256603 434297001 /nfs/dbraw/zinc/29/70/01/434297001.db2.gz OHXMOZCFUNOOPX-UHFFFAOYSA-N -1 1 309.772 3.287 20 10 DGCDMM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000734406258 574659945 /nfs/dbraw/zinc/65/99/45/574659945.db2.gz SXZBQJTYMXLERV-UHFFFAOYSA-N -1 1 318.804 3.350 20 10 DGCDMM CN(C)c1ccc(CN(Cc2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000737379691 574840929 /nfs/dbraw/zinc/84/09/29/574840929.db2.gz YGZXYKKDKDTIRT-UHFFFAOYSA-N -1 1 314.385 3.208 20 10 DGCDMM O=C(CSc1c(F)cc(F)cc1F)c1ccc([O-])c(O)c1 ZINC000917440060 620668999 /nfs/dbraw/zinc/66/89/99/620668999.db2.gz KZCJBADHKKIRKB-UHFFFAOYSA-N -1 1 314.284 3.490 20 10 DGCDMM O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000315901359 604465621 /nfs/dbraw/zinc/46/56/21/604465621.db2.gz NIACTNSDRCKMHC-HNNXBMFYSA-N -1 1 317.772 3.057 20 10 DGCDMM O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000315901359 604465623 /nfs/dbraw/zinc/46/56/23/604465623.db2.gz NIACTNSDRCKMHC-HNNXBMFYSA-N -1 1 317.772 3.057 20 10 DGCDMM CCc1nc(C)c(C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000890758343 617656368 /nfs/dbraw/zinc/65/63/68/617656368.db2.gz VXYWQBUVZPKERJ-UHFFFAOYSA-N -1 1 310.806 3.303 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1coc(C2CCC2)n1 ZINC000890760060 617656395 /nfs/dbraw/zinc/65/63/95/617656395.db2.gz ZODISQGJARQMHQ-UHFFFAOYSA-N -1 1 306.749 3.231 20 10 DGCDMM CCC[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759719 617656403 /nfs/dbraw/zinc/65/64/03/617656403.db2.gz PFEITYYMZVZFEO-AAEUAGOBSA-N -1 1 311.809 3.257 20 10 DGCDMM C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC000890760050 617656447 /nfs/dbraw/zinc/65/64/47/617656447.db2.gz ZJXDDPGJXDHBSQ-PWSUYJOCSA-N -1 1 323.820 3.303 20 10 DGCDMM CC(C)(C)c1ncc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890759245 617656458 /nfs/dbraw/zinc/65/64/58/617656458.db2.gz IJYPUJFXAYSBCD-UHFFFAOYSA-N -1 1 319.792 3.063 20 10 DGCDMM CC(C)Nc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890759870 617656923 /nfs/dbraw/zinc/65/69/23/617656923.db2.gz TVZNHHIXEOKRET-UHFFFAOYSA-N -1 1 319.792 3.191 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccnn1C1CCCC1 ZINC000890760262 617657031 /nfs/dbraw/zinc/65/70/31/617657031.db2.gz MLKZQLQVUZIGPI-UHFFFAOYSA-N -1 1 319.792 3.287 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C12CC(C(F)(F)F)(C1)C2 ZINC000890759973 617657310 /nfs/dbraw/zinc/65/73/10/617657310.db2.gz XPJXVVHPEYKERW-UHFFFAOYSA-N -1 1 319.710 3.394 20 10 DGCDMM CC(C)(C)C(=O)CCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890761425 617657334 /nfs/dbraw/zinc/65/73/34/617657334.db2.gz RGMSXFFEWIAEFV-UHFFFAOYSA-N -1 1 311.809 3.447 20 10 DGCDMM CCn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C1CC1 ZINC000890763348 617659003 /nfs/dbraw/zinc/65/90/03/617659003.db2.gz STQWHVTUVYNUSY-UHFFFAOYSA-N -1 1 319.792 3.069 20 10 DGCDMM O=C(NCCC1(F)CCC1)NCc1cccc(Cl)c1[O-] ZINC000894848350 618475412 /nfs/dbraw/zinc/47/54/12/618475412.db2.gz NBVBTTIFYFKOKS-UHFFFAOYSA-N -1 1 300.761 3.127 20 10 DGCDMM Cn1cc(CNCc2cc(Cl)cc(Cl)c2[O-])c(Cl)n1 ZINC000857046137 621050063 /nfs/dbraw/zinc/05/00/63/621050063.db2.gz IKDOMFGXWHQGHB-UHFFFAOYSA-N -1 1 320.607 3.376 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)ccc1O ZINC000788139722 621354546 /nfs/dbraw/zinc/35/45/46/621354546.db2.gz NXCXLAYXQHGVIR-UHFFFAOYSA-N -1 1 314.366 3.050 20 10 DGCDMM C[C@H](NCc1cocn1)c1cc(Br)c(F)cc1[O-] ZINC000756831234 621666989 /nfs/dbraw/zinc/66/69/89/621666989.db2.gz MLEHMDYTTHCSIJ-ZETCQYMHSA-N -1 1 315.142 3.133 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(F)c1 ZINC000765758287 622285311 /nfs/dbraw/zinc/28/53/11/622285311.db2.gz UYKPOQFHKYFIAN-UHFFFAOYSA-N -1 1 324.149 3.224 20 10 DGCDMM Cc1cc([C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)c(C)s1 ZINC000789952470 625586524 /nfs/dbraw/zinc/58/65/24/625586524.db2.gz FCOIKWVWWKNPLG-MRVPVSSYSA-N -1 1 309.362 3.406 20 10 DGCDMM O=C(NC[C@H]1CCCc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000789954058 625586907 /nfs/dbraw/zinc/58/69/07/625586907.db2.gz AQOVQCMXHSFEEO-GFCCVEGCSA-N -1 1 315.344 3.087 20 10 DGCDMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789986971 625591342 /nfs/dbraw/zinc/59/13/42/625591342.db2.gz NYDCVTXBBQFWKF-LBPRGKRZSA-N -1 1 317.360 3.215 20 10 DGCDMM Cc1cc(Br)cc(C=C2SC(=S)[N-]C2=O)c1 ZINC000772175980 622857002 /nfs/dbraw/zinc/85/70/02/622857002.db2.gz IMIKPHQZMBFHQB-WEVVVXLNSA-N -1 1 314.229 3.246 20 10 DGCDMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(F)c1[O-] ZINC000778519624 623663470 /nfs/dbraw/zinc/66/34/70/623663470.db2.gz JPLALLVAYOBYLQ-CQSZACIVSA-N -1 1 306.724 3.381 20 10 DGCDMM COCCN(Cc1ccc(C)o1)Cc1ccc(F)c(F)c1[O-] ZINC000876773749 623702773 /nfs/dbraw/zinc/70/27/73/623702773.db2.gz XCGMVOSJHFNSIP-UHFFFAOYSA-N -1 1 311.328 3.220 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1ccccc1OC(F)(F)F ZINC000022016096 623816382 /nfs/dbraw/zinc/81/63/82/623816382.db2.gz FOXHEOVIHRNVRL-YVMONPNESA-N -1 1 305.302 3.074 20 10 DGCDMM CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475119 623899299 /nfs/dbraw/zinc/89/92/99/623899299.db2.gz MBJWBIMVHKMFAO-DTWKUNHWSA-N -1 1 310.348 3.153 20 10 DGCDMM CC(C)=C[C@@H]1[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1(C)C ZINC000782220942 624223266 /nfs/dbraw/zinc/22/32/66/624223266.db2.gz LGZUKMNFQSEEGM-MLGOLLRUSA-N -1 1 318.369 3.062 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cn[nH]c2)c1[O-] ZINC000878877994 624378193 /nfs/dbraw/zinc/37/81/93/624378193.db2.gz NFJLAOOVKARHGI-HNNXBMFYSA-N -1 1 319.792 3.308 20 10 DGCDMM C[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783672654 624381983 /nfs/dbraw/zinc/38/19/83/624381983.db2.gz IVTWMQOVMOFSST-LLVKDONJSA-N -1 1 306.358 3.040 20 10 DGCDMM C[C@H](CCC(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784694282 624572902 /nfs/dbraw/zinc/57/29/02/624572902.db2.gz CXPUWQINADSWLO-LLVKDONJSA-N -1 1 308.374 3.286 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccn(CC(F)(F)F)n1 ZINC000883073495 625917165 /nfs/dbraw/zinc/91/71/65/625917165.db2.gz RLPRGMWAXXSFGF-UHFFFAOYSA-N -1 1 307.222 3.041 20 10 DGCDMM O=C(COC(=O)[C@H](F)CC1CCCCC1)c1ccc([O-])c(O)c1 ZINC000796205949 626029937 /nfs/dbraw/zinc/02/99/37/626029937.db2.gz LAEYSIGFPQIOKI-CYBMUJFWSA-N -1 1 324.348 3.132 20 10 DGCDMM CCc1occc1C(=O)NCc1cccc(Br)c1[O-] ZINC000797759879 626167544 /nfs/dbraw/zinc/16/75/44/626167544.db2.gz PJHUFGGEGHDFLJ-UHFFFAOYSA-N -1 1 324.174 3.240 20 10 DGCDMM Cc1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1C(N)=O ZINC000798085694 626192967 /nfs/dbraw/zinc/19/29/67/626192967.db2.gz UVVKGMFONOHXFF-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000809751597 626946429 /nfs/dbraw/zinc/94/64/29/626946429.db2.gz SXPXACXHEDYDIC-SECBINFHSA-N -1 1 318.122 3.054 20 10 DGCDMM O=C1COc2c(NCc3cc(Cl)cc(F)c3[O-])cccc2N1 ZINC000811510841 627284904 /nfs/dbraw/zinc/28/49/04/627284904.db2.gz PXCDNBMZPQSTKJ-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(-n2ccnn2)c1 ZINC000816524410 627802327 /nfs/dbraw/zinc/80/23/27/627802327.db2.gz DRCJDZCEVMSZPH-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](CO)c2ccccc21 ZINC000816637303 627817479 /nfs/dbraw/zinc/81/74/79/627817479.db2.gz ZGKZIMIZTFUMRJ-JTQLQIEISA-N -1 1 307.752 3.281 20 10 DGCDMM COc1cnc(C=Cc2ccc(N3CCCCC3)cc2)[n-]c1=O ZINC000821007112 628325204 /nfs/dbraw/zinc/32/52/04/628325204.db2.gz CTZWZUWJAMCJLW-YFHOEESVSA-N -1 1 311.385 3.352 20 10 DGCDMM COCCCn1cc(C)c(NCc2cccc(Cl)c2[O-])n1 ZINC000826687684 628873186 /nfs/dbraw/zinc/87/31/86/628873186.db2.gz YAHCYGBESLRQCD-UHFFFAOYSA-N -1 1 309.797 3.199 20 10 DGCDMM O=C(COC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccc([O-])c(O)c1 ZINC000829746226 629187103 /nfs/dbraw/zinc/18/71/03/629187103.db2.gz PLCOODYOLKPGMQ-KBPBESRZSA-N -1 1 318.369 3.040 20 10 DGCDMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000831165547 629345378 /nfs/dbraw/zinc/34/53/78/629345378.db2.gz LZVWNPZLQUEJLT-HAQNSBGRSA-N -1 1 315.344 3.221 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](c2ccccc2)C1 ZINC000832826556 629519152 /nfs/dbraw/zinc/51/91/52/629519152.db2.gz MGOPPJLMIFGAIU-ZDUSSCGKSA-N -1 1 315.344 3.257 20 10 DGCDMM CCn1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000840955970 630384476 /nfs/dbraw/zinc/38/44/76/630384476.db2.gz DSTGEZGBRFHAOC-UHFFFAOYSA-N -1 1 300.189 3.205 20 10 DGCDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000312100313 656098552 /nfs/dbraw/zinc/09/85/52/656098552.db2.gz UFIGNZSXMMAGDV-UHFFFAOYSA-N -1 1 301.364 3.010 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1cc(F)cc(C(F)(F)F)c1 ZINC000178722430 657026361 /nfs/dbraw/zinc/02/63/61/657026361.db2.gz LRYLMMRKCWTHGL-BAQGIRSFSA-N -1 1 307.293 3.333 20 10 DGCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc([O-])cc1F ZINC000181200635 659986222 /nfs/dbraw/zinc/98/62/22/659986222.db2.gz NNXGLKBEIFHBLO-UHFFFAOYSA-N -1 1 303.333 3.289 20 10 DGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000192155392 662089398 /nfs/dbraw/zinc/08/93/98/662089398.db2.gz OPFLHLMKJHZYCZ-UHFFFAOYSA-N -1 1 309.412 3.223 20 10 DGCDMM CCCNc1ccc(C#N)cc1NC(=O)c1cccc(O)c1[O-] ZINC000193090664 662122403 /nfs/dbraw/zinc/12/24/03/662122403.db2.gz QFGXQBSOLNHYMI-UHFFFAOYSA-N -1 1 311.341 3.044 20 10 DGCDMM CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(Cl)c1[O-] ZINC000897392064 685310694 /nfs/dbraw/zinc/31/06/94/685310694.db2.gz LGHMMOZSUOLHPG-UHFFFAOYSA-N -1 1 310.741 3.091 20 10 DGCDMM Cn1c(Cl)cnc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000393321344 685216413 /nfs/dbraw/zinc/21/64/13/685216413.db2.gz GTKFVARMZYTOEQ-UHFFFAOYSA-N -1 1 320.607 3.376 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(-c2cn[nH]n2)c1 ZINC001578050823 1191920962 /nfs/dbraw/zinc/92/09/62/1191920962.db2.gz GBKSBWOFYSGAPX-UHFFFAOYSA-N -1 1 302.284 3.068 20 10 DGCDMM O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)cc1[O-] ZINC001583816978 1192161279 /nfs/dbraw/zinc/16/12/79/1192161279.db2.gz PDPUIMRELVEZJP-UHFFFAOYSA-N -1 1 312.152 3.335 20 10 DGCDMM CC(C)(NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001334450504 1178764723 /nfs/dbraw/zinc/76/47/23/1178764723.db2.gz ONNCUSZTLKHLFY-UHFFFAOYSA-N -1 1 310.703 3.186 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1csc(C2CC2)n1 ZINC001346940915 1179763343 /nfs/dbraw/zinc/76/33/43/1179763343.db2.gz LGRAAJDYCUSNIP-UHFFFAOYSA-N -1 1 320.761 3.462 20 10 DGCDMM O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c([O-])cc1Cl ZINC001456603899 1182425154 /nfs/dbraw/zinc/42/51/54/1182425154.db2.gz FRMYWGPMLJWFHP-RQOWECAXSA-N -1 1 323.707 3.248 20 10 DGCDMM O=C(Nc1ccc(F)cc1[O-])c1cc2cc(O)c(O)cc2s1 ZINC001457714343 1182477074 /nfs/dbraw/zinc/47/70/74/1182477074.db2.gz IKJBHVXYHAVNDM-UHFFFAOYSA-N -1 1 319.313 3.410 20 10 DGCDMM Cc1ccc(CN(C)C(=O)c2c([O-])c(O)ccc2F)cc1C ZINC001457858100 1182483714 /nfs/dbraw/zinc/48/37/14/1182483714.db2.gz HBTSENWCPCDIMC-UHFFFAOYSA-N -1 1 303.333 3.126 20 10 DGCDMM Cc1ncnc(NCc2cccc(Br)c2[O-])c1C ZINC001458362930 1182517579 /nfs/dbraw/zinc/51/75/79/1182517579.db2.gz FBWLYMNQQOHZIA-UHFFFAOYSA-N -1 1 308.179 3.174 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(-n2ccnc2)cc1 ZINC001461074917 1182763648 /nfs/dbraw/zinc/76/36/48/1182763648.db2.gz CVGQJOJYQGCUNX-UHFFFAOYSA-N -1 1 301.296 3.468 20 10 DGCDMM Cc1cc([C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])ccc1F ZINC001607612406 1193240856 /nfs/dbraw/zinc/24/08/56/1193240856.db2.gz NQATUFGLDAHBGD-OAHLLOKOSA-N -1 1 323.751 3.409 20 10 DGCDMM Cc1cnnn1-c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001474191524 1183880579 /nfs/dbraw/zinc/88/05/79/1183880579.db2.gz RWCLXDFNAIOSCL-UHFFFAOYSA-N -1 1 316.311 3.172 20 10 DGCDMM Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811286 1193259808 /nfs/dbraw/zinc/25/98/08/1193259808.db2.gz OYVNHSDMFYKYSY-ZJUUUORDSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C([O-])c1cccc2c1CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001608940807 1193315103 /nfs/dbraw/zinc/31/51/03/1193315103.db2.gz QCZNUNIYHRXXMX-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C([O-])c1cccc2c1CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001608940807 1193315106 /nfs/dbraw/zinc/31/51/06/1193315106.db2.gz QCZNUNIYHRXXMX-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CC2CCC1CC2 ZINC001611538688 1193436703 /nfs/dbraw/zinc/43/67/03/1193436703.db2.gz ZUMWZWZDIQIFGL-YYJSSNLHSA-N -1 1 307.365 3.182 20 10 DGCDMM NC(=O)N=Nc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001557087232 1189040359 /nfs/dbraw/zinc/04/03/59/1189040359.db2.gz ZEJRIUNEQFGSFZ-UHFFFAOYSA-N -1 1 320.255 3.085 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1coc2cc(O)ccc21 ZINC001558757394 1189146594 /nfs/dbraw/zinc/14/65/94/1189146594.db2.gz CEOFUNVSDNOYST-UHFFFAOYSA-N -1 1 317.728 3.427 20 10 DGCDMM O=C(Cc1c(F)cccc1F)NCc1cccc(Cl)c1[O-] ZINC001558757080 1189146739 /nfs/dbraw/zinc/14/67/39/1189146739.db2.gz OCFMMGRNNCXQMY-UHFFFAOYSA-N -1 1 311.715 3.183 20 10 DGCDMM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001640404592 1194811744 /nfs/dbraw/zinc/81/17/44/1194811744.db2.gz DEAGRMLUDWNUIZ-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM CC(C)Nc1ncccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001647827006 1195256367 /nfs/dbraw/zinc/25/63/67/1195256367.db2.gz SAHRNAQTOWOVRV-UHFFFAOYSA-N -1 1 319.792 3.191 20 10 DGCDMM O=C(C[C@@H]1Cc2ccccc2O1)NCc1cccc(Cl)c1[O-] ZINC001648609420 1195312844 /nfs/dbraw/zinc/31/28/44/1195312844.db2.gz XXCKJTHGBMJDTM-ZDUSSCGKSA-N -1 1 317.772 3.056 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1nccc(C(F)(F)F)n1 ZINC001652315992 1195580714 /nfs/dbraw/zinc/58/07/14/1195580714.db2.gz ZGMTUNXOFXHKFR-UHFFFAOYSA-N -1 1 303.671 3.467 20 10 DGCDMM CN1CCc2c(NCc3cccc(Cl)c3[O-])cccc2C1=O ZINC001652838459 1195659124 /nfs/dbraw/zinc/65/91/24/1195659124.db2.gz DARMFQZIOIRQIC-UHFFFAOYSA-N -1 1 316.788 3.286 20 10 DGCDMM COCc1ccccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001653563649 1195734229 /nfs/dbraw/zinc/73/42/29/1195734229.db2.gz HSEWGECOMQLZKR-UHFFFAOYSA-N -1 1 305.761 3.122 20 10 DGCDMM CN(C)C(=O)Nc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001656265535 1196024797 /nfs/dbraw/zinc/02/47/97/1196024797.db2.gz ZDERMUDHGJJMRO-UHFFFAOYSA-N -1 1 321.327 3.376 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(Cl)nc1 ZINC001658637372 1196283881 /nfs/dbraw/zinc/28/38/81/1196283881.db2.gz AXSAZWVMSCJEKO-UHFFFAOYSA-N -1 1 312.156 3.416 20 10 DGCDMM CC(C)(C)OC(=O)N1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001659773649 1196413241 /nfs/dbraw/zinc/41/32/41/1196413241.db2.gz SVLZNQQXKVYRDP-UHFFFAOYSA-N -1 1 314.332 3.028 20 10 DGCDMM CCOC(=O)[C@H](CCCC(C)C)NCc1cccc(F)c1[O-] ZINC001659991950 1196435390 /nfs/dbraw/zinc/43/53/90/1196435390.db2.gz CYPMJNJBJUZUBW-HNNXBMFYSA-N -1 1 311.397 3.379 20 10 DGCDMM CC(C)(C)c1cc2n(n1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001660127538 1196449283 /nfs/dbraw/zinc/44/92/83/1196449283.db2.gz QMAIPHPQUAEVQX-UHFFFAOYSA-N -1 1 321.371 3.180 20 10 DGCDMM Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001676298431 1198278002 /nfs/dbraw/zinc/27/80/02/1198278002.db2.gz HLXHZAOHVMSAGX-UHFFFAOYSA-N -1 1 322.767 3.493 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001684904310 1199424163 /nfs/dbraw/zinc/42/41/63/1199424163.db2.gz GKXZPTQPNCFOAN-VHRBIJSZSA-N -1 1 308.809 3.424 20 10 DGCDMM CCOc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1O ZINC000321985437 970833937 /nfs/dbraw/zinc/83/39/37/970833937.db2.gz DCCICAMHJCDZBC-CQSZACIVSA-N -1 1 321.417 3.114 20 10 DGCDMM C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001594424418 999587498 /nfs/dbraw/zinc/58/74/98/999587498.db2.gz SKZHSXZRMYMCEK-QPUJVOFHSA-N -1 1 318.200 3.384 20 10 DGCDMM C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001594424416 999587610 /nfs/dbraw/zinc/58/76/10/999587610.db2.gz SKZHSXZRMYMCEK-PRHODGIISA-N -1 1 318.200 3.384 20 10 DGCDMM COC(=O)Nc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001648870135 1081950724 /nfs/dbraw/zinc/95/07/24/1081950724.db2.gz VCFMESBTHWLTJQ-UHFFFAOYSA-N -1 1 308.284 3.461 20 10 DGCDMM Cc1ccc(C)n1-c1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001170233337 1082321511 /nfs/dbraw/zinc/32/15/11/1082321511.db2.gz OEHKYMCYUNAXTG-UHFFFAOYSA-N -1 1 320.356 3.210 20 10 DGCDMM Cc1cn(C)c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc12 ZINC001170320943 1082344781 /nfs/dbraw/zinc/34/47/81/1082344781.db2.gz QPYVRBWJJZQPBU-UHFFFAOYSA-N -1 1 310.353 3.193 20 10 DGCDMM CN(CCC(=O)c1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683624 1091641371 /nfs/dbraw/zinc/64/13/71/1091641371.db2.gz OXHZQCHNWBMIHG-UHFFFAOYSA-N -1 1 305.324 3.375 20 10 DGCDMM CN(CCC(=O)c1cccs1)Cc1c(F)ccc(F)c1[O-] ZINC001139687858 1091643011 /nfs/dbraw/zinc/64/30/11/1091643011.db2.gz SDEVJOUYLXWFNY-UHFFFAOYSA-N -1 1 311.353 3.437 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CCOC[C@H]1C1CCCCC1 ZINC001139686866 1091643799 /nfs/dbraw/zinc/64/37/99/1091643799.db2.gz HGVPHTKIDNLEMT-INIZCTEOSA-N -1 1 311.372 3.452 20 10 DGCDMM [O-]c1c(CN2CCN(c3cccc(F)c3)CC2)ccc(F)c1F ZINC001207184036 1091878566 /nfs/dbraw/zinc/87/85/66/1091878566.db2.gz GSWXGPMDQRKTQP-UHFFFAOYSA-N -1 1 322.330 3.132 20 10 DGCDMM [O-]c1cc(F)cc(F)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001140584459 1091919756 /nfs/dbraw/zinc/91/97/56/1091919756.db2.gz RZIBPIATBSUNGB-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM CCN(Cc1cc(Cl)cc(Br)c1[O-])C1COC1 ZINC001141373340 1092221056 /nfs/dbraw/zinc/22/10/56/1092221056.db2.gz ZIQCUOPNYVUGPN-UHFFFAOYSA-N -1 1 320.614 3.029 20 10 DGCDMM [O-]c1c(F)cccc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001138129423 1095899597 /nfs/dbraw/zinc/89/95/97/1095899597.db2.gz BZHJKAOFOSIPHK-ZDUSSCGKSA-N -1 1 315.270 3.388 20 10 DGCDMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cccc(O)c1O ZINC001148218728 1096328318 /nfs/dbraw/zinc/32/83/18/1096328318.db2.gz IWIKWMMAUOZRSW-UHFFFAOYSA-N -1 1 313.231 3.075 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001231565407 1097780648 /nfs/dbraw/zinc/78/06/48/1097780648.db2.gz VBRIUGRAOXLRAW-HNNXBMFYSA-N -1 1 311.381 3.155 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1CCc2cc3c(cc2C1)OCO3 ZINC001231911001 1097890604 /nfs/dbraw/zinc/89/06/04/1097890604.db2.gz YCMKZXVXYWPBCO-UHFFFAOYSA-N -1 1 317.772 3.333 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1CCC2(CC2)C1 ZINC001233028328 1098206348 /nfs/dbraw/zinc/20/63/48/1098206348.db2.gz NOXUWPQDQUQTPV-UHFFFAOYSA-N -1 1 300.171 3.280 20 10 DGCDMM CC(=O)c1ccc2c(c1)CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335981 1098292027 /nfs/dbraw/zinc/29/20/27/1098292027.db2.gz TXHXMMXAWFSGBU-UHFFFAOYSA-N -1 1 317.335 3.431 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCC(OC)CC1 ZINC001233497573 1098351673 /nfs/dbraw/zinc/35/16/73/1098351673.db2.gz PCWGXDJDXCAQBQ-UHFFFAOYSA-N -1 1 308.374 3.417 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cccnc1Cl ZINC001234474278 1098564024 /nfs/dbraw/zinc/56/40/24/1098564024.db2.gz QPFHFBDEQVIGRB-VIFPVBQESA-N -1 1 307.733 3.489 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)COc1ccccc1C ZINC001234477369 1098566665 /nfs/dbraw/zinc/56/66/65/1098566665.db2.gz SEVULQMXBCSEAC-LBPRGKRZSA-N -1 1 316.353 3.455 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(-c2nnco2)c1 ZINC001178051405 1098688899 /nfs/dbraw/zinc/68/88/99/1098688899.db2.gz MPYHPTYHSGTFHW-UHFFFAOYSA-N -1 1 303.268 3.333 20 10 DGCDMM Cn1nnc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC001179021039 1098987632 /nfs/dbraw/zinc/98/76/32/1098987632.db2.gz QHWWDLLYMMNOQA-UHFFFAOYSA-N -1 1 306.728 3.079 20 10 DGCDMM Cc1nc2c(cccc2C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001180409846 1099412099 /nfs/dbraw/zinc/41/20/99/1099412099.db2.gz GOZRGSATQUHDMR-UHFFFAOYSA-N -1 1 316.744 3.425 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCC(=O)C[C@H]2C)c1 ZINC001236664356 1099729104 /nfs/dbraw/zinc/72/91/04/1099729104.db2.gz SVUMSRAVSRUHKG-SNVBAGLBSA-N -1 1 312.207 3.017 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCCC12COC2 ZINC001236797335 1099789757 /nfs/dbraw/zinc/78/97/57/1099789757.db2.gz XDFKKJZGSWMCPM-UHFFFAOYSA-N -1 1 302.201 3.454 20 10 DGCDMM O=C1CN(Cc2c([O-])ccc(Cl)c2Cl)CCC[C@@H]1F ZINC001237078640 1099958757 /nfs/dbraw/zinc/95/87/57/1099958757.db2.gz VTABSSQZWIVUOX-JTQLQIEISA-N -1 1 306.164 3.202 20 10 DGCDMM Cc1noc([C@@H]2CCCN2Cc2c([O-])ccc(F)c2Cl)n1 ZINC001237127535 1099984596 /nfs/dbraw/zinc/98/45/96/1099984596.db2.gz COUQUHBNPRFLEY-NSHDSACASA-N -1 1 311.744 3.213 20 10 DGCDMM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1c([O-])ccc(F)c1Cl ZINC001237127803 1099985103 /nfs/dbraw/zinc/98/51/03/1099985103.db2.gz FQEHKWQVNGSNPP-XPTSAGLGSA-N -1 1 317.788 3.204 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001237949466 1100300313 /nfs/dbraw/zinc/30/03/13/1100300313.db2.gz MPFHTOCVALBKDA-MRXNPFEDSA-N -1 1 322.767 3.153 20 10 DGCDMM C[C@@]1(F)CCCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193220196 1100718411 /nfs/dbraw/zinc/71/84/11/1100718411.db2.gz RAYHPXQTXQYZDX-CQSZACIVSA-N -1 1 301.745 3.106 20 10 DGCDMM C[C@]1(F)CCCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193220195 1100718485 /nfs/dbraw/zinc/71/84/85/1100718485.db2.gz RAYHPXQTXQYZDX-AWEZNQCLSA-N -1 1 301.745 3.106 20 10 DGCDMM Cc1cc(O)cc(C)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193230637 1100722039 /nfs/dbraw/zinc/72/20/39/1100722039.db2.gz YWAJJAYWGIKUMF-UHFFFAOYSA-N -1 1 307.733 3.326 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1O ZINC001198857071 1102003883 /nfs/dbraw/zinc/00/38/83/1102003883.db2.gz ROMVQYYSHIAQAY-UHFFFAOYSA-N -1 1 303.339 3.248 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(C2CCCC2)CC1 ZINC001330572413 1104579742 /nfs/dbraw/zinc/57/97/42/1104579742.db2.gz QGBKCGKTWGTXBJ-UHFFFAOYSA-N -1 1 307.365 3.279 20 10 DGCDMM Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001254794390 1106142365 /nfs/dbraw/zinc/14/23/65/1106142365.db2.gz RUXXDQQWBUPXCF-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1cccc(F)c1 ZINC001255642349 1106282352 /nfs/dbraw/zinc/28/23/52/1106282352.db2.gz AODGHIPQJHKEJU-UHFFFAOYSA-N -1 1 317.341 3.485 20 10 DGCDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001258926836 1107059296 /nfs/dbraw/zinc/05/92/96/1107059296.db2.gz GKBCDEYJQFQADP-UHFFFAOYSA-N -1 1 309.362 3.257 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c(C)c1 ZINC001259101147 1107080054 /nfs/dbraw/zinc/08/00/54/1107080054.db2.gz RGSBGLKKUJVZAA-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1ccc(OCC(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC001305069852 1111193031 /nfs/dbraw/zinc/19/30/31/1111193031.db2.gz RTYPHOLISLQFIB-UHFFFAOYSA-N -1 1 319.788 3.358 20 10 DGCDMM C/C(=C/c1ccncc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001305084363 1111193113 /nfs/dbraw/zinc/19/31/13/1111193113.db2.gz IMJWXKNDXQUAJN-LUAWRHEFSA-N -1 1 302.761 3.160 20 10 DGCDMM CC(C)(C)OC(=O)N1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001308761905 1111471578 /nfs/dbraw/zinc/47/15/78/1111471578.db2.gz YTDQJXNLCSEDTN-UHFFFAOYSA-N -1 1 312.797 3.403 20 10 DGCDMM CCOCc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC ZINC000002536779 431255980 /nfs/dbraw/zinc/25/59/80/431255980.db2.gz KWJNESKQBNSWIY-KPKJPENVSA-N -1 1 309.412 3.132 20 10 DGCDMM Cc1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000264585178 432661049 /nfs/dbraw/zinc/66/10/49/432661049.db2.gz DTTIDWNSFKMESH-HNNXBMFYSA-N -1 1 318.442 3.338 20 10 DGCDMM CC(C)c1nnc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851334 432827190 /nfs/dbraw/zinc/82/71/90/432827190.db2.gz BCRCNFGYIYTVNG-IUCAKERBSA-N -1 1 310.348 3.324 20 10 DGCDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000277635733 432865985 /nfs/dbraw/zinc/86/59/85/432865985.db2.gz XNXAVVLJFNBULJ-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)no1 ZINC000296383268 432902796 /nfs/dbraw/zinc/90/27/96/432902796.db2.gz JHVGVMXJKAKOAW-OAHLLOKOSA-N -1 1 316.401 3.472 20 10 DGCDMM CCOCc1nc([C@H](C)N[C@H](CC)c2ccc(F)cc2[O-])no1 ZINC000290034567 432983302 /nfs/dbraw/zinc/98/33/02/432983302.db2.gz DCQVDKYKMDZPJG-GXFFZTMASA-N -1 1 323.368 3.253 20 10 DGCDMM CCc1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000291822818 433366980 /nfs/dbraw/zinc/36/69/80/433366980.db2.gz DOFLGFLTIYNITR-VIFPVBQESA-N -1 1 305.334 3.010 20 10 DGCDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000282116112 433499090 /nfs/dbraw/zinc/49/90/90/433499090.db2.gz KDPNTPYOJQLKDS-UHFFFAOYSA-N -1 1 321.398 3.154 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000853576929 620711810 /nfs/dbraw/zinc/71/18/10/620711810.db2.gz GXWAYFPZTYFNND-HUUCEWRRSA-N -1 1 323.392 3.171 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000853576929 620711812 /nfs/dbraw/zinc/71/18/12/620711812.db2.gz GXWAYFPZTYFNND-HUUCEWRRSA-N -1 1 323.392 3.171 20 10 DGCDMM CCC[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759721 617656321 /nfs/dbraw/zinc/65/63/21/617656321.db2.gz PFEITYYMZVZFEO-WCQYABFASA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCc2cccnc21 ZINC000890759757 617656343 /nfs/dbraw/zinc/65/63/43/617656343.db2.gz QMEQLOJUCZEYNZ-CYBMUJFWSA-N -1 1 316.788 3.177 20 10 DGCDMM Cc1ncc(C(=O)NCc2cccc(Cl)c2[O-])c(C(C)C)n1 ZINC000890760369 617656978 /nfs/dbraw/zinc/65/69/78/617656978.db2.gz PSXWJGALKVCWKI-UHFFFAOYSA-N -1 1 319.792 3.197 20 10 DGCDMM O=C(C[C@H]1CCC2(CCC2)O1)NCc1cccc(Cl)c1[O-] ZINC000890762457 617657786 /nfs/dbraw/zinc/65/77/86/617657786.db2.gz DBKVLZLURFGOCB-GFCCVEGCSA-N -1 1 309.793 3.154 20 10 DGCDMM COC(C)(C)C[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893251928 618486851 /nfs/dbraw/zinc/48/68/51/618486851.db2.gz UTRHLDRPWQXIPM-JTQLQIEISA-N -1 1 314.813 3.048 20 10 DGCDMM CS[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893288579 618498177 /nfs/dbraw/zinc/49/81/77/618498177.db2.gz AQTJSCJOSRUEMM-WDEREUQCSA-N -1 1 314.838 3.129 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](C1CC1)C1CCC1 ZINC000895289569 618588594 /nfs/dbraw/zinc/58/85/94/618588594.db2.gz YRUCNGJWOHUDLF-CQSZACIVSA-N -1 1 308.809 3.424 20 10 DGCDMM Cc1ccncc1[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893971265 618685336 /nfs/dbraw/zinc/68/53/36/618685336.db2.gz LDBMXXDEZBLYFG-NSHDSACASA-N -1 1 319.792 3.309 20 10 DGCDMM COc1cc2c(cc1O)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000895888045 618845503 /nfs/dbraw/zinc/84/55/03/618845503.db2.gz GBLLBWADRKTHBY-UHFFFAOYSA-N -1 1 319.788 3.318 20 10 DGCDMM [O-]c1c(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)ccc(F)c1F ZINC000896791785 618959520 /nfs/dbraw/zinc/95/95/20/618959520.db2.gz DUTGPXCVDLLECR-GJZGRUSLSA-N -1 1 316.351 3.134 20 10 DGCDMM O=S(=O)(CCC1CCCC1)NCc1cccc(Cl)c1[O-] ZINC000908326726 620201762 /nfs/dbraw/zinc/20/17/62/620201762.db2.gz CUOQUSRXSSLTIU-UHFFFAOYSA-N -1 1 317.838 3.045 20 10 DGCDMM CC(C)c1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756574592 621650045 /nfs/dbraw/zinc/65/00/45/621650045.db2.gz XUDOYRFNPCSIOV-JTQLQIEISA-N -1 1 305.334 3.263 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C3CCC3)C2)c1[O-] ZINC000839622347 621701424 /nfs/dbraw/zinc/70/14/24/621701424.db2.gz BUZVSDISEGUJNU-INIZCTEOSA-N -1 1 323.820 3.249 20 10 DGCDMM Cc1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1 ZINC000789595416 625532468 /nfs/dbraw/zinc/53/24/68/625532468.db2.gz UJVGHSQKCIBRIM-UHFFFAOYSA-N -1 1 321.764 3.289 20 10 DGCDMM O=C(C[C@@H]1C=CCC1)NCc1cccc(Br)c1[O-] ZINC000765751237 622285269 /nfs/dbraw/zinc/28/52/69/622285269.db2.gz BNEYFDRSSJMNSQ-SNVBAGLBSA-N -1 1 310.191 3.127 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])oc1C ZINC000765766033 622285930 /nfs/dbraw/zinc/28/59/30/622285930.db2.gz UXECXZVITFKJHE-UHFFFAOYSA-N -1 1 324.174 3.295 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)Cc2ccccc21 ZINC000789761522 625563851 /nfs/dbraw/zinc/56/38/51/625563851.db2.gz IHRARDZOVMEBGL-LLVKDONJSA-N -1 1 307.752 3.108 20 10 DGCDMM O=C1N[C@@H](c2cc(Cl)cc(F)c2[O-])Nc2cc(F)ccc21 ZINC000768266630 622448268 /nfs/dbraw/zinc/44/82/68/622448268.db2.gz WZWWOSJNDVNJNU-ZDUSSCGKSA-N -1 1 310.687 3.178 20 10 DGCDMM Cc1cccc([C@H](C)NC(=O)c2c([O-])c(O)ccc2F)c1C ZINC000789980280 625590529 /nfs/dbraw/zinc/59/05/29/625590529.db2.gz YUVGRAQDISRVEE-NSHDSACASA-N -1 1 303.333 3.345 20 10 DGCDMM COc1cccc2c1O[C@H](c1cc(Cl)c(F)cc1[O-])NC2=O ZINC000877842360 624066071 /nfs/dbraw/zinc/06/60/71/624066071.db2.gz HQHBMQOHDQSUHY-OAHLLOKOSA-N -1 1 323.707 3.014 20 10 DGCDMM CC(C)=C[C@H]1[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1(C)C ZINC000782220941 624223199 /nfs/dbraw/zinc/22/31/99/624223199.db2.gz LGZUKMNFQSEEGM-LRDDRELGSA-N -1 1 318.369 3.062 20 10 DGCDMM C[C@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783339250 624338845 /nfs/dbraw/zinc/33/88/45/624338845.db2.gz BRZYAVAQGNGZHU-NWDGAFQWSA-N -1 1 306.358 3.040 20 10 DGCDMM CCCCCC[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783864417 624401939 /nfs/dbraw/zinc/40/19/39/624401939.db2.gz JMUFASOJZWWAKG-GFCCVEGCSA-N -1 1 308.374 3.430 20 10 DGCDMM O=C(CCCC1CCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783928771 624410027 /nfs/dbraw/zinc/41/00/27/624410027.db2.gz RWEMIENWOPSWQO-UHFFFAOYSA-N -1 1 306.358 3.184 20 10 DGCDMM CC1(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCCC1 ZINC000784360469 624509565 /nfs/dbraw/zinc/50/95/65/624509565.db2.gz KOBDHKIGMKAFDH-UHFFFAOYSA-N -1 1 306.358 3.184 20 10 DGCDMM CC1(C)CCC[C@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784377631 624514267 /nfs/dbraw/zinc/51/42/67/624514267.db2.gz AFHQGLLACUGRMI-GFCCVEGCSA-N -1 1 320.385 3.430 20 10 DGCDMM O=C1NCCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000790981335 625728716 /nfs/dbraw/zinc/72/87/16/625728716.db2.gz NHKHMEMJUQUDPW-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM CN1CCOc2ccc(NCc3cc(F)cc(F)c3[O-])cc21 ZINC000883065018 625914306 /nfs/dbraw/zinc/91/43/06/625914306.db2.gz WZJCCBBOMBGNIW-UHFFFAOYSA-N -1 1 306.312 3.111 20 10 DGCDMM O=C1CCN1c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000798960644 626263210 /nfs/dbraw/zinc/26/32/10/626263210.db2.gz IYLOMFBXCDIHTR-UHFFFAOYSA-N -1 1 302.761 3.394 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000807416994 626756331 /nfs/dbraw/zinc/75/63/31/626756331.db2.gz QPYBIMIWAONKQA-UHFFFAOYSA-N -1 1 312.207 3.207 20 10 DGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccccc1F ZINC000808115856 626794006 /nfs/dbraw/zinc/79/40/06/626794006.db2.gz VQGBMSJNDCCQNZ-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM CNC(=O)Oc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000814175367 627546757 /nfs/dbraw/zinc/54/67/57/627546757.db2.gz UENMLPWJDREHEE-UHFFFAOYSA-N -1 1 306.749 3.376 20 10 DGCDMM Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816519810 627801769 /nfs/dbraw/zinc/80/17/69/627801769.db2.gz WTGWRKBUOFUQAY-CQSZACIVSA-N -1 1 323.799 3.428 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(-c2ccccn2)c1 ZINC000816558695 627807512 /nfs/dbraw/zinc/80/75/12/627807512.db2.gz JACJTHPWPLNSBC-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000840997717 630393379 /nfs/dbraw/zinc/39/33/79/630393379.db2.gz GPORQYNXXOOKGM-HONMWMINSA-N -1 1 309.793 3.263 20 10 DGCDMM C[C@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640320 631715476 /nfs/dbraw/zinc/71/54/76/631715476.db2.gz PGXVBGTWLIBBTG-ZMLRMANQSA-N -1 1 311.809 3.271 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1cccc(OC(F)(F)F)c1 ZINC000255925224 655968404 /nfs/dbraw/zinc/96/84/04/655968404.db2.gz UBLHYHDMNRQUBC-VMPITWQZSA-N -1 1 305.302 3.074 20 10 DGCDMM Cc1ccc(O)c(CNC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001584983039 1192234361 /nfs/dbraw/zinc/23/43/61/1192234361.db2.gz ADQLKHHERKIHNP-UHFFFAOYSA-N -1 1 323.348 3.195 20 10 DGCDMM Cn1c(=O)oc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC001620843978 1192446563 /nfs/dbraw/zinc/44/65/63/1192446563.db2.gz VPZDRXPELRKUCR-UHFFFAOYSA-N -1 1 322.723 3.242 20 10 DGCDMM C[S@@](=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001620852515 1192456316 /nfs/dbraw/zinc/45/63/16/1192456316.db2.gz WYBHSLWDEWKZHU-OAQYLSRUSA-N -1 1 311.353 3.161 20 10 DGCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1 ZINC000319634061 1176833184 /nfs/dbraw/zinc/83/31/84/1176833184.db2.gz DCZVRQMSKZWKQX-UHFFFAOYSA-N -1 1 319.382 3.012 20 10 DGCDMM Cc1c(C(=O)[O-])cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1C ZINC001599995873 1192780842 /nfs/dbraw/zinc/78/08/42/1192780842.db2.gz VSRCFVVEBIQUDP-SECBINFHSA-N -1 1 322.792 3.242 20 10 DGCDMM CCc1ncc(C(=O)[N-]c2c3nonc3ccc2Cl)s1 ZINC001342951182 1179215124 /nfs/dbraw/zinc/21/51/24/1179215124.db2.gz LAJCOWFJWIZUQI-UHFFFAOYSA-N -1 1 308.750 3.147 20 10 DGCDMM CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1cccc(Cl)c1[O-])C(=O)C2 ZINC001350803266 1180124278 /nfs/dbraw/zinc/12/42/78/1180124278.db2.gz FSWCNGRMMLPWQY-DIFFPNOSSA-N -1 1 321.804 3.057 20 10 DGCDMM C[C@@H](NCc1nc(C2CC2)cs1)c1cc(C(=O)[O-])ccc1O ZINC001604348409 1193067732 /nfs/dbraw/zinc/06/77/32/1193067732.db2.gz GFOSOGDXHGQLDT-SECBINFHSA-N -1 1 318.398 3.275 20 10 DGCDMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1ccc(N(C)C)cc1 ZINC001447968422 1182199319 /nfs/dbraw/zinc/19/93/19/1182199319.db2.gz JACFXYLQHHDHDZ-LLVKDONJSA-N -1 1 302.349 3.088 20 10 DGCDMM Cn1c(C(=O)NCc2cccc(Cl)c2[O-])cc2ccccc21 ZINC001606860496 1193206640 /nfs/dbraw/zinc/20/66/40/1193206640.db2.gz NNQZAEOVCCZMKY-UHFFFAOYSA-N -1 1 314.772 3.467 20 10 DGCDMM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(N(C)C)cc1 ZINC001609779538 1193356095 /nfs/dbraw/zinc/35/60/95/1193356095.db2.gz LMMMZOWNXCZSCR-LBPRGKRZSA-N -1 1 316.376 3.441 20 10 DGCDMM Cc1ccc2n[nH]cc2c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001558757764 1189146351 /nfs/dbraw/zinc/14/63/51/1189146351.db2.gz RPMPKISRVMVCOB-UHFFFAOYSA-N -1 1 315.760 3.160 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)c2ccccc21 ZINC001558757520 1189146572 /nfs/dbraw/zinc/14/65/72/1189146572.db2.gz IBJARSYQLGTDRB-CYBMUJFWSA-N -1 1 315.756 3.032 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@@H]1c1ccccc1 ZINC001558757367 1189146730 /nfs/dbraw/zinc/14/67/30/1189146730.db2.gz BJYVHMROCCXQHG-KGLIPLIRSA-N -1 1 301.773 3.466 20 10 DGCDMM [O-]c1c(Cl)cccc1CNCc1nc(-c2ccccc2)no1 ZINC001560739293 1189371217 /nfs/dbraw/zinc/37/12/17/1189371217.db2.gz GDMUTTKQCDVUHI-UHFFFAOYSA-N -1 1 315.760 3.385 20 10 DGCDMM COc1ccc(NC(C)=O)cc1NCc1cc(F)cc(F)c1[O-] ZINC001620737382 1193796849 /nfs/dbraw/zinc/79/68/49/1193796849.db2.gz KTMHYXCECULNTF-UHFFFAOYSA-N -1 1 322.311 3.250 20 10 DGCDMM Cc1cccc(O[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640402295 1194811254 /nfs/dbraw/zinc/81/12/54/1194811254.db2.gz OVJNODMZACFTEW-GFCCVEGCSA-N -1 1 319.788 3.438 20 10 DGCDMM CC(C)Oc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccn1 ZINC001648606390 1195313182 /nfs/dbraw/zinc/31/31/82/1195313182.db2.gz PYWKZVRCESIRHL-UHFFFAOYSA-N -1 1 320.776 3.158 20 10 DGCDMM CCNC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])c(C)c1 ZINC001651123159 1195416539 /nfs/dbraw/zinc/41/65/39/1195416539.db2.gz YRRBTEABDHXFKI-UHFFFAOYSA-N -1 1 320.339 3.341 20 10 DGCDMM COc1ccc(C)cc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001653563614 1195734708 /nfs/dbraw/zinc/73/47/08/1195734708.db2.gz FUPZUXMBJZPVRB-UHFFFAOYSA-N -1 1 319.788 3.222 20 10 DGCDMM CN(C)c1nc2cc(NCc3cc(F)cc(F)c3[O-])ccc2o1 ZINC001655822668 1195966479 /nfs/dbraw/zinc/96/64/79/1195966479.db2.gz OTTAUMNYCXRQCI-UHFFFAOYSA-N -1 1 319.311 3.490 20 10 DGCDMM Cc1cc(NCc2cc(Cl)cc(F)c2[O-])cc(C(N)=O)c1 ZINC001657404301 1196138062 /nfs/dbraw/zinc/13/80/62/1196138062.db2.gz FNQNCUZECHHBGW-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM COC(=O)CCc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001658797039 1196302247 /nfs/dbraw/zinc/30/22/47/1196302247.db2.gz IQTHCJMCTDURQE-UHFFFAOYSA-N -1 1 321.323 3.388 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccccc1-n1nccn1 ZINC001660025731 1196438539 /nfs/dbraw/zinc/43/85/39/1196438539.db2.gz CUMZMLRVGWKQSB-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM COC[C@H](C)n1ccc(NCc2cc(Cl)cc(F)c2[O-])n1 ZINC001662275758 1196702276 /nfs/dbraw/zinc/70/22/76/1196702276.db2.gz MFLRAYZSSOMXPZ-VIFPVBQESA-N -1 1 313.760 3.201 20 10 DGCDMM O=C(NCCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001675414798 1198059113 /nfs/dbraw/zinc/05/91/13/1198059113.db2.gz YUNNDSRILXDCJW-UHFFFAOYSA-N -1 1 304.777 3.088 20 10 DGCDMM O=C([O-])[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])Cc2ccccc21 ZINC001594951831 954961344 /nfs/dbraw/zinc/96/13/44/954961344.db2.gz PQHHVZLPOHJAHY-HNNXBMFYSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])Cc2ccccc21 ZINC001594951831 954961351 /nfs/dbraw/zinc/96/13/51/954961351.db2.gz PQHHVZLPOHJAHY-HNNXBMFYSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000588412926 1082177313 /nfs/dbraw/zinc/17/73/13/1082177313.db2.gz MHDQZQWXUARVHG-KXFIGUGUSA-N -1 1 305.717 3.109 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(SC(F)F)cc1 ZINC000588419746 1082209731 /nfs/dbraw/zinc/20/97/31/1082209731.db2.gz YUVDDGIZXURKAY-YVMONPNESA-N -1 1 303.380 3.490 20 10 DGCDMM [O-]c1cc(Cl)ccc1CN(Cc1cocn1)Cc1cocn1 ZINC001140464885 1082270936 /nfs/dbraw/zinc/27/09/36/1082270936.db2.gz FAPSPKRMCZYWOD-UHFFFAOYSA-N -1 1 319.748 3.224 20 10 DGCDMM Cc1ccc2c(c1)nccc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170321020 1082344891 /nfs/dbraw/zinc/34/48/91/1082344891.db2.gz VGJHCYSUVFYEKK-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM C[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159033687 1088153382 /nfs/dbraw/zinc/15/33/82/1088153382.db2.gz LWBOWZJTYYBAAZ-SNVBAGLBSA-N -1 1 323.751 3.268 20 10 DGCDMM COC(=O)[C@@]1(C)CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078110 1090283374 /nfs/dbraw/zinc/28/33/74/1090283374.db2.gz OFVINRFPDCGROF-CQSZACIVSA-N -1 1 318.200 3.227 20 10 DGCDMM Cc1ccc(N2CCN(Cc3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001139683196 1091641287 /nfs/dbraw/zinc/64/12/87/1091641287.db2.gz BGKHDNHOJYNGSR-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM COc1ccc(CN(C)Cc2c(F)ccc(F)c2[O-])cc1OC ZINC001139685456 1091641350 /nfs/dbraw/zinc/64/13/50/1091641350.db2.gz YYEWHVKRFJHKQL-UHFFFAOYSA-N -1 1 323.339 3.320 20 10 DGCDMM [O-]c1cc(Cl)ccc1CN1[C@@H](CO)CCC[C@H]1C(F)(F)F ZINC001140461422 1091874001 /nfs/dbraw/zinc/87/40/01/1091874001.db2.gz LVVXMKDBJXULAU-YPMHNXCESA-N -1 1 323.742 3.323 20 10 DGCDMM [O-]c1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(F)c1F ZINC001140892521 1092050129 /nfs/dbraw/zinc/05/01/29/1092050129.db2.gz QIAOLYXNUIMRAR-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM Nc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001219312619 1094962443 /nfs/dbraw/zinc/96/24/43/1094962443.db2.gz GGIDLMWKLPXSFK-UHFFFAOYSA-N -1 1 310.275 3.174 20 10 DGCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001136300235 1094979808 /nfs/dbraw/zinc/97/98/08/1094979808.db2.gz JREKGPWAZQAJJZ-UHFFFAOYSA-N -1 1 316.376 3.308 20 10 DGCDMM CC[C@H](C)n1nccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001124070996 1095532309 /nfs/dbraw/zinc/53/23/09/1095532309.db2.gz VBHQVLBKIOTMLL-JTQLQIEISA-N -1 1 307.781 3.143 20 10 DGCDMM CCOC(=O)CN(Cc1ccsc1)Cc1c([O-])cccc1F ZINC001137838580 1095757966 /nfs/dbraw/zinc/75/79/66/1095757966.db2.gz CZSCGPDEHGANTF-UHFFFAOYSA-N -1 1 323.389 3.158 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001137840392 1095759627 /nfs/dbraw/zinc/75/96/27/1095759627.db2.gz ZGADRCFMFABUTF-KRWDZBQOSA-N -1 1 323.314 3.383 20 10 DGCDMM COC(C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1O)OC ZINC001138122372 1095894559 /nfs/dbraw/zinc/89/45/59/1095894559.db2.gz ABDHZNGOZIZISU-UHFFFAOYSA-N -1 1 319.376 3.152 20 10 DGCDMM CC(C)(C)n1cc(NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001119760339 1096257015 /nfs/dbraw/zinc/25/70/15/1096257015.db2.gz GBSYOUPCWGMLND-UHFFFAOYSA-N -1 1 322.796 3.319 20 10 DGCDMM C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565472 1097780524 /nfs/dbraw/zinc/78/05/24/1097780524.db2.gz XSWUDMVMGCHVSS-UHFFFAOYSA-N -1 1 319.788 3.418 20 10 DGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cncs3)c([O-])cc21 ZINC001175498161 1098064293 /nfs/dbraw/zinc/06/42/93/1098064293.db2.gz KXJQGAPEPYYYRU-UHFFFAOYSA-N -1 1 322.345 3.368 20 10 DGCDMM [O-]c1c(CN2CC3(C2)CCCCO3)cccc1C(F)(F)F ZINC001233416263 1098321960 /nfs/dbraw/zinc/32/19/60/1098321960.db2.gz BVODLNGTAPWIDV-UHFFFAOYSA-N -1 1 301.308 3.166 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)COc1ccccc1 ZINC001234473601 1098565197 /nfs/dbraw/zinc/56/51/97/1098565197.db2.gz IPGINFYTOYOIHK-NSHDSACASA-N -1 1 302.326 3.147 20 10 DGCDMM CC(C)Oc1ccc(C(=O)NCc2cccc(Cl)c2[O-])nc1 ZINC001180409925 1099411560 /nfs/dbraw/zinc/41/15/60/1099411560.db2.gz JLBNEXFTDASKDL-UHFFFAOYSA-N -1 1 320.776 3.158 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ncc(Br)cn1 ZINC001187861654 1099619956 /nfs/dbraw/zinc/61/99/56/1099619956.db2.gz NZPVEVXPEPVHHZ-UHFFFAOYSA-N -1 1 314.570 3.210 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CC(OC(C)C)C2)c1 ZINC001236668421 1099734485 /nfs/dbraw/zinc/73/44/85/1099734485.db2.gz AWVIJHORZVIYTI-UHFFFAOYSA-N -1 1 314.223 3.072 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(C1)CCCCO2 ZINC001237077423 1099955907 /nfs/dbraw/zinc/95/59/07/1099955907.db2.gz HOTZDLAQNWUMHA-UHFFFAOYSA-N -1 1 302.201 3.454 20 10 DGCDMM CCN(Cc1c([O-])ccc(Cl)c1Cl)[C@@H](C)C(=O)OC ZINC001237085897 1099964738 /nfs/dbraw/zinc/96/47/38/1099964738.db2.gz KYWQYRBPYUJVCC-QMMMGPOBSA-N -1 1 306.189 3.082 20 10 DGCDMM [O-]c1c(F)cc(CN2CCc3cccc(O)c3C2)cc1Cl ZINC001237993993 1100317955 /nfs/dbraw/zinc/31/79/55/1100317955.db2.gz XZLCRELHYNVFSA-UHFFFAOYSA-N -1 1 307.752 3.449 20 10 DGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCCC(F)(F)CC1 ZINC001193209568 1100717553 /nfs/dbraw/zinc/71/75/53/1100717553.db2.gz MJBMDEKSVADACX-UHFFFAOYSA-N -1 1 305.708 3.013 20 10 DGCDMM O=C(Nc1nsc2ncccc12)c1ccc(O)c([O-])c1Cl ZINC001193219519 1100718766 /nfs/dbraw/zinc/71/87/66/1100718766.db2.gz JLDPAAXNJXYBGY-UHFFFAOYSA-N -1 1 321.745 3.008 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1C(F)(F)F)c1ccccc1 ZINC001251149282 1105632391 /nfs/dbraw/zinc/63/23/91/1105632391.db2.gz TUIZUYCOGRWWSA-UHFFFAOYSA-N -1 1 317.288 3.212 20 10 DGCDMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2O)c1C ZINC001254104161 1106018123 /nfs/dbraw/zinc/01/81/23/1106018123.db2.gz OXPQLQJRUPXTIU-UHFFFAOYSA-N -1 1 321.398 3.132 20 10 DGCDMM NC(=O)CCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC001324276357 1108232546 /nfs/dbraw/zinc/23/25/46/1108232546.db2.gz XIKMYBVQUVGKJH-UHFFFAOYSA-N -1 1 322.767 3.215 20 10 DGCDMM O=C1CCN1c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001308392050 1111425177 /nfs/dbraw/zinc/42/51/77/1111425177.db2.gz OLGCVVWNXXLWDC-UHFFFAOYSA-N -1 1 304.296 3.019 20 10 DGCDMM O=c1[nH]c2ccc(NCc3cc(Cl)cc(F)c3[O-])cc2[nH]1 ZINC001308429535 1111427978 /nfs/dbraw/zinc/42/79/78/1111427978.db2.gz WZSNCAJEQHYLBK-UHFFFAOYSA-N -1 1 307.712 3.379 20 10 DGCDMM CN(C(N)=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC001308733866 1111467750 /nfs/dbraw/zinc/46/77/50/1111467750.db2.gz ZLOYTEFVBYJJQW-UHFFFAOYSA-N -1 1 305.765 3.173 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](CO)c2ccccc21 ZINC000293857142 433898525 /nfs/dbraw/zinc/89/85/25/433898525.db2.gz ICCPDDPUXNEBKH-LLVKDONJSA-N -1 1 307.752 3.281 20 10 DGCDMM CC[NH+](CC)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000731869246 574561496 /nfs/dbraw/zinc/56/14/96/574561496.db2.gz DMRBIJGFRBPTIZ-CYBMUJFWSA-N -1 1 324.471 3.328 20 10 DGCDMM Cc1noc(C)c1[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758008 617655817 /nfs/dbraw/zinc/65/58/17/617655817.db2.gz POSXPKHJGHLZIG-QMMMGPOBSA-N -1 1 308.765 3.070 20 10 DGCDMM Cc1cc(C)n([C@H](C)CC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890757767 617655880 /nfs/dbraw/zinc/65/58/80/617655880.db2.gz LBYIFFYPIRUPOK-GFCCVEGCSA-N -1 1 321.808 3.126 20 10 DGCDMM CC(C)CCSCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757759 617655943 /nfs/dbraw/zinc/65/59/43/617655943.db2.gz KTYLIMOXEUTUEV-UHFFFAOYSA-N -1 1 301.839 3.441 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccnc(C2CC2)c1 ZINC000890759253 617656361 /nfs/dbraw/zinc/65/63/61/617656361.db2.gz IOFKNGDIPRLPRQ-UHFFFAOYSA-N -1 1 302.761 3.248 20 10 DGCDMM CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759095 617656487 /nfs/dbraw/zinc/65/64/87/617656487.db2.gz BZIWSMOCLONTCQ-WCQYABFASA-N -1 1 313.825 3.239 20 10 DGCDMM Cc1csc(CCC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890759967 617656981 /nfs/dbraw/zinc/65/69/81/617656981.db2.gz XKBHBFJCYPOVDQ-UHFFFAOYSA-N -1 1 310.806 3.060 20 10 DGCDMM CO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000890761146 617657149 /nfs/dbraw/zinc/65/71/49/617657149.db2.gz MBZIZUJNLWKRCJ-OAHLLOKOSA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCOC2(CCC2)C1 ZINC000890763154 617658328 /nfs/dbraw/zinc/65/83/28/617658328.db2.gz PGXXDGMZMMFEQJ-NSHDSACASA-N -1 1 309.793 3.011 20 10 DGCDMM CC1(C)CC[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])OC1 ZINC000890763119 617658502 /nfs/dbraw/zinc/65/85/02/617658502.db2.gz NSRXZIIDDQHVOR-LBPRGKRZSA-N -1 1 311.809 3.257 20 10 DGCDMM CSCCCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894286723 618752581 /nfs/dbraw/zinc/75/25/81/618752581.db2.gz FKGUNNXOPUYCJX-UHFFFAOYSA-N -1 1 316.854 3.378 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1CCC(F)CC1 ZINC000895525304 618794705 /nfs/dbraw/zinc/79/47/05/618794705.db2.gz SSSDKDQCLNFHNU-UHFFFAOYSA-N -1 1 314.788 3.373 20 10 DGCDMM O=C(NCC[C@@H]1CCCS1)NCc1cccc(Cl)c1[O-] ZINC000896127481 618876509 /nfs/dbraw/zinc/87/65/09/618876509.db2.gz WPONHNANRJUKOR-NSHDSACASA-N -1 1 314.838 3.131 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898095393 619211895 /nfs/dbraw/zinc/21/18/95/619211895.db2.gz RNRSQBRISHUFSO-LBPRGKRZSA-N -1 1 307.781 3.206 20 10 DGCDMM CCc1cc(NCc2cc(Br)cc(F)c2[O-])no1 ZINC000905412240 619995392 /nfs/dbraw/zinc/99/53/92/619995392.db2.gz SUYHGYBSFULZCS-UHFFFAOYSA-N -1 1 315.142 3.456 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1nnc(C2CCC2)o1 ZINC000905427833 619998265 /nfs/dbraw/zinc/99/82/65/619998265.db2.gz ZZARNWOCIBZMME-UHFFFAOYSA-N -1 1 324.178 3.417 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(F)cc1C(F)(F)F ZINC000151359342 620443268 /nfs/dbraw/zinc/44/32/68/620443268.db2.gz PNZRBHWENXLRPE-FPYGCLRLSA-N -1 1 307.293 3.333 20 10 DGCDMM CCOC1(C)CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000839143171 621340888 /nfs/dbraw/zinc/34/08/88/621340888.db2.gz NHNHEIFYJKGZKH-UHFFFAOYSA-N -1 1 314.223 3.074 20 10 DGCDMM C[C@H]1C[C@@H]1c1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000865295619 621892313 /nfs/dbraw/zinc/89/23/13/621892313.db2.gz IZVKXIFFVOQPST-CBAPKCEASA-N -1 1 324.178 3.273 20 10 DGCDMM CCC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758662 622218075 /nfs/dbraw/zinc/21/80/75/622218075.db2.gz SGECHLNRDHEWNE-VIFPVBQESA-N -1 1 315.211 3.143 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1ncncc1Cl ZINC000764935398 622233754 /nfs/dbraw/zinc/23/37/54/622233754.db2.gz SWHAXMHAGIMPAX-UHFFFAOYSA-N -1 1 314.570 3.210 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1ncnc2c1CCC2 ZINC000764934790 622233819 /nfs/dbraw/zinc/23/38/19/622233819.db2.gz LYCITANOSHSGME-UHFFFAOYSA-N -1 1 320.190 3.046 20 10 DGCDMM Cc1cc(C)c(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765726653 622284311 /nfs/dbraw/zinc/28/43/11/622284311.db2.gz IJIFOAAGMZKXJY-UHFFFAOYSA-N -1 1 324.174 3.295 20 10 DGCDMM Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766460 622285762 /nfs/dbraw/zinc/28/57/62/622285762.db2.gz WKJYTCJRKKEOOS-UHFFFAOYSA-N -1 1 320.186 3.393 20 10 DGCDMM CCC[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765765873 622285988 /nfs/dbraw/zinc/28/59/88/622285988.db2.gz UFUGUUUXJIEDJT-VIFPVBQESA-N -1 1 300.196 3.207 20 10 DGCDMM Cc1cccc2c1N[C@H](c1cc(Cl)cc(F)c1[O-])NC2=O ZINC000768266298 622448066 /nfs/dbraw/zinc/44/80/66/622448066.db2.gz OZSJMLZIFATTLP-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM C[C@@H]1SCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000769445594 622528202 /nfs/dbraw/zinc/52/82/02/622528202.db2.gz HKJQVAKWLGOATB-IUCAKERBSA-N -1 1 316.810 3.280 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCC2(CCCCC2)C1 ZINC000789979427 625589417 /nfs/dbraw/zinc/58/94/17/625589417.db2.gz GXGRTOZNOHGWEQ-UHFFFAOYSA-N -1 1 307.365 3.423 20 10 DGCDMM Cc1cc(O)c(C[N@@H+]2CCOc3cc(N)ccc3C2)c(Cl)c1 ZINC000873218812 623078074 /nfs/dbraw/zinc/07/80/74/623078074.db2.gz RORIKEURTJYUDN-UHFFFAOYSA-N -1 1 318.804 3.331 20 10 DGCDMM CCCCN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774546965 623160057 /nfs/dbraw/zinc/16/00/57/623160057.db2.gz JTJCAICZFLYIED-QGZVFWFLSA-N -1 1 318.804 3.429 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1cnc2c(c1)COCC2 ZINC000777441926 623525934 /nfs/dbraw/zinc/52/59/34/623525934.db2.gz PMUJFQPDQRRSCU-UHFFFAOYSA-N -1 1 308.740 3.265 20 10 DGCDMM [O-]c1c(F)c(F)ccc1CN1CCN(c2cccs2)CC1 ZINC000876771216 623702562 /nfs/dbraw/zinc/70/25/62/623702562.db2.gz OWUOWHMIMQWHSD-UHFFFAOYSA-N -1 1 310.369 3.054 20 10 DGCDMM CCn1nc(C)c(CN(C)Cc2ccc(F)c(F)c2[O-])c1C ZINC000877664026 623983340 /nfs/dbraw/zinc/98/33/40/623983340.db2.gz KMUHMCUMKQIDRX-UHFFFAOYSA-N -1 1 309.360 3.136 20 10 DGCDMM COc1cccc2c1O[C@@H](c1cc(Cl)c(F)cc1[O-])NC2=O ZINC000877842358 624066052 /nfs/dbraw/zinc/06/60/52/624066052.db2.gz HQHBMQOHDQSUHY-HNNXBMFYSA-N -1 1 323.707 3.014 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000781908690 624170432 /nfs/dbraw/zinc/17/04/32/624170432.db2.gz KXKKEUVQFXMZSF-WDEREUQCSA-N -1 1 314.223 3.072 20 10 DGCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1 ZINC000784954958 624604597 /nfs/dbraw/zinc/60/45/97/624604597.db2.gz AXHZOAPBOLBDKT-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM CN(C)C(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790976278 625728199 /nfs/dbraw/zinc/72/81/99/625728199.db2.gz ITACKRYXNOVYKH-UHFFFAOYSA-N -1 1 322.767 3.499 20 10 DGCDMM COCCOCc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000882908566 625854175 /nfs/dbraw/zinc/85/41/75/625854175.db2.gz WRHXGIBLSKNNAV-UHFFFAOYSA-N -1 1 323.339 3.446 20 10 DGCDMM Cn1nccc1C1=CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000809690106 626936613 /nfs/dbraw/zinc/93/66/13/626936613.db2.gz HIXDDUXWRRDNLV-UHFFFAOYSA-N -1 1 321.783 3.208 20 10 DGCDMM COCCN(Cc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809734700 626943585 /nfs/dbraw/zinc/94/35/85/626943585.db2.gz NUDMCFAJDYTOOH-UHFFFAOYSA-N -1 1 324.783 3.228 20 10 DGCDMM Cn1ncc(Cl)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809775587 626951260 /nfs/dbraw/zinc/95/12/60/626951260.db2.gz FEEGCDKGRZRXFA-UHFFFAOYSA-N -1 1 320.607 3.376 20 10 DGCDMM O=[N+]([O-])c1cc(Cl)cc(CNc2cc3c(cn2)CCC3)c1[O-] ZINC000815159224 627639417 /nfs/dbraw/zinc/63/94/17/627639417.db2.gz NERSICDIGHOAHN-UHFFFAOYSA-N -1 1 319.748 3.450 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2Cc3cccnc3C2)c1[O-] ZINC000823006747 628518586 /nfs/dbraw/zinc/51/85/86/628518586.db2.gz OAFDSODZKVTVLS-UHFFFAOYSA-N -1 1 302.761 3.159 20 10 DGCDMM [O-]c1c(F)cccc1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000825045683 628720198 /nfs/dbraw/zinc/72/01/98/628720198.db2.gz JGUYQBBMRWAELJ-INIZCTEOSA-N -1 1 305.324 3.244 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC3(CCC3)C2)c1[O-] ZINC000830716577 629297680 /nfs/dbraw/zinc/29/76/80/629297680.db2.gz WYNIMUGNKARGNY-LLVKDONJSA-N -1 1 323.820 3.392 20 10 DGCDMM O=C([O-])N[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000832139863 629445009 /nfs/dbraw/zinc/44/50/09/629445009.db2.gz CUAYHZGXPQVLFQ-AWEZNQCLSA-N -1 1 320.776 3.144 20 10 DGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000833418790 629602004 /nfs/dbraw/zinc/60/20/04/629602004.db2.gz APAROUJBWFRLHU-GFCCVEGCSA-N -1 1 311.809 3.368 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000840997715 630393213 /nfs/dbraw/zinc/39/32/13/630393213.db2.gz GPORQYNXXOOKGM-BPNCWPANSA-N -1 1 309.793 3.263 20 10 DGCDMM C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCc2ccccc21 ZINC000846662014 631281258 /nfs/dbraw/zinc/28/12/58/631281258.db2.gz PLMDHOJOEAYHLJ-LLVKDONJSA-N -1 1 315.344 3.039 20 10 DGCDMM C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640647 631715621 /nfs/dbraw/zinc/71/56/21/631715621.db2.gz TUVUIQIOCSDIQR-JIMOISOXSA-N -1 1 311.809 3.271 20 10 DGCDMM C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640319 631715774 /nfs/dbraw/zinc/71/57/74/631715774.db2.gz PGXVBGTWLIBBTG-ADEWGFFLSA-N -1 1 311.809 3.271 20 10 DGCDMM O=C(COC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc([O-])c(O)c1 ZINC000850303918 632109050 /nfs/dbraw/zinc/10/90/50/632109050.db2.gz BKHVFYZDHZDTSH-CHWSQXEVSA-N -1 1 318.369 3.040 20 10 DGCDMM Cc1ccc(CN(CCO)Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000793366423 661027448 /nfs/dbraw/zinc/02/74/48/661027448.db2.gz SJYCMMVTDMFMMO-UHFFFAOYSA-N -1 1 313.756 3.081 20 10 DGCDMM CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000048915880 661897444 /nfs/dbraw/zinc/89/74/44/661897444.db2.gz PHOSUMITCAMHFP-QMTHXVAHSA-N -1 1 311.809 3.248 20 10 DGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000189422502 661978088 /nfs/dbraw/zinc/97/80/88/661978088.db2.gz BKTXNOUGKUFMIN-UHFFFAOYSA-N -1 1 321.398 3.209 20 10 DGCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000399051367 685238983 /nfs/dbraw/zinc/23/89/83/685238983.db2.gz GOZOMAGYACPMGD-WCBMZHEXSA-N -1 1 318.200 3.242 20 10 DGCDMM Clc1cnc(SCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001592539428 1192616026 /nfs/dbraw/zinc/61/60/26/1192616026.db2.gz XYZLJGMOBFKEBE-UHFFFAOYSA-N -1 1 315.836 3.330 20 10 DGCDMM O=C([O-])C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001602113685 1192958688 /nfs/dbraw/zinc/95/86/88/1192958688.db2.gz HJZHDNSHNUJFPB-HNNXBMFYSA-N -1 1 319.788 3.221 20 10 DGCDMM O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001602421401 1192978580 /nfs/dbraw/zinc/97/85/80/1192978580.db2.gz FNKBSGBXRIWELL-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001602421401 1192978582 /nfs/dbraw/zinc/97/85/82/1192978582.db2.gz FNKBSGBXRIWELL-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM C[C@@H](C(=O)[O-])c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC001603222130 1193011666 /nfs/dbraw/zinc/01/16/66/1193011666.db2.gz XVQINTSGZBMHER-SECBINFHSA-N -1 1 307.296 3.471 20 10 DGCDMM C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1cc(C(=O)[O-])ccc1O ZINC001604322981 1193064938 /nfs/dbraw/zinc/06/49/38/1193064938.db2.gz STGCDZMNSBTXAE-BDAKNGLRSA-N -1 1 322.311 3.175 20 10 DGCDMM CC[C@H]1c2ccccc2CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC001458033391 1182491614 /nfs/dbraw/zinc/49/16/14/1182491614.db2.gz BBOKEJCARGVOSD-ZDUSSCGKSA-N -1 1 301.317 3.344 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001606147476 1193191180 /nfs/dbraw/zinc/19/11/80/1193191180.db2.gz KQVHSQAHBBZWKU-HNNXBMFYSA-N -1 1 323.751 3.442 20 10 DGCDMM COCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001472317047 1183634454 /nfs/dbraw/zinc/63/44/54/1183634454.db2.gz SSYVPYSDKVLIMN-UHFFFAOYSA-N -1 1 323.751 3.261 20 10 DGCDMM C[C@H]1Cc2cccc(C(=O)NCc3cccc(Cl)c3[O-])c2O1 ZINC001472316972 1183634571 /nfs/dbraw/zinc/63/45/71/1183634571.db2.gz PLVGARUDVJQUEM-JTQLQIEISA-N -1 1 317.772 3.299 20 10 DGCDMM NC(=O)CCc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001474048063 1183857492 /nfs/dbraw/zinc/85/74/92/1183857492.db2.gz BACKXELOGPHINS-UHFFFAOYSA-N -1 1 322.767 3.215 20 10 DGCDMM Cc1ccccc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001477500715 1184093273 /nfs/dbraw/zinc/09/32/73/1184093273.db2.gz SFNIILBDXDKAKO-UHFFFAOYSA-N -1 1 304.777 3.353 20 10 DGCDMM Cn1c2ccc(F)cc2c(CN2CC3(CCC3)C2)c1C(=O)[O-] ZINC001608079172 1193277308 /nfs/dbraw/zinc/27/73/08/1193277308.db2.gz KFAZDWPHFBRZCM-UHFFFAOYSA-N -1 1 302.349 3.002 20 10 DGCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)c(F)cc1[O-] ZINC001609698643 1193350258 /nfs/dbraw/zinc/35/02/58/1193350258.db2.gz GZHGGCANHTXDSA-UHFFFAOYSA-N -1 1 303.761 3.117 20 10 DGCDMM Cc1cc(Cl)cc(CN[C@@H](C(=O)[O-])c2cccs2)c1O ZINC001610462635 1193390971 /nfs/dbraw/zinc/39/09/71/1193390971.db2.gz PKLDEWSPAUAAGR-GFCCVEGCSA-N -1 1 311.790 3.331 20 10 DGCDMM Cc1ccc([C@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)c(O)c1 ZINC001610490633 1193392838 /nfs/dbraw/zinc/39/28/38/1193392838.db2.gz IVUSDTSHSROQRM-UWVGGRQHSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C(NCc1ccc2sccc2c1)c1c(F)ccc(O)c1[O-] ZINC001558993077 1189160812 /nfs/dbraw/zinc/16/08/12/1189160812.db2.gz NXDKYJBMCZRWPJ-UHFFFAOYSA-N -1 1 317.341 3.382 20 10 DGCDMM [O-]c1c(CN[C@H]2COc3cc(F)cc(F)c32)ccc(F)c1F ZINC001560750844 1189373773 /nfs/dbraw/zinc/37/37/73/1189373773.db2.gz CKOPLSCWNYHLGO-NSHDSACASA-N -1 1 313.250 3.172 20 10 DGCDMM CC(C)N(CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001621148585 1193808548 /nfs/dbraw/zinc/80/85/48/1193808548.db2.gz NNHJSSMGPNCQMU-UHFFFAOYSA-N -1 1 315.360 3.223 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1Cc2ccccc21 ZINC001629925940 1194259387 /nfs/dbraw/zinc/25/93/87/1194259387.db2.gz VETGUKVRZMXIPC-CYBMUJFWSA-N -1 1 316.788 3.185 20 10 DGCDMM CC(=O)c1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001637227139 1194657967 /nfs/dbraw/zinc/65/79/67/1194657967.db2.gz PABYEMULBJKYCS-UHFFFAOYSA-N -1 1 303.745 3.178 20 10 DGCDMM CO/C(=C\c1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001637227125 1194658053 /nfs/dbraw/zinc/65/80/53/1194658053.db2.gz ODFQDRPMGFJJKT-GDNBJRDFSA-N -1 1 317.772 3.349 20 10 DGCDMM Nc1c(Cl)cccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001637232878 1194658661 /nfs/dbraw/zinc/65/86/61/1194658661.db2.gz YXIPLBYGWYSBDL-UHFFFAOYSA-N -1 1 311.168 3.211 20 10 DGCDMM O=C(CCc1cccc(O)c1)NCc1cccc(Cl)c1[O-] ZINC001640405249 1194811530 /nfs/dbraw/zinc/81/15/30/1194811530.db2.gz OAAAJJIYSCJBEE-UHFFFAOYSA-N -1 1 305.761 3.000 20 10 DGCDMM COc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001640405517 1194811668 /nfs/dbraw/zinc/81/16/68/1194811668.db2.gz WBLXXUTUJPFIIF-JXMROGBWSA-N -1 1 317.772 3.384 20 10 DGCDMM COc1ccc(F)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001647826940 1195256327 /nfs/dbraw/zinc/25/63/27/1195256327.db2.gz PQDLCAZQHQZXNG-UHFFFAOYSA-N -1 1 309.724 3.123 20 10 DGCDMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c2ccccc21 ZINC001648606621 1195312677 /nfs/dbraw/zinc/31/26/77/1195312677.db2.gz UJTKPVLUFZCPQG-UHFFFAOYSA-N -1 1 314.772 3.467 20 10 DGCDMM CCO[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001648606543 1195313415 /nfs/dbraw/zinc/31/34/15/1195313415.db2.gz SCROJXFURBTVQD-INIZCTEOSA-N -1 1 319.788 3.440 20 10 DGCDMM CC(=O)N1Cc2ccc(NCc3cc(F)cc(F)c3[O-])cc2C1 ZINC001650642584 1195368510 /nfs/dbraw/zinc/36/85/10/1195368510.db2.gz KFFCVVHXZTUHSR-UHFFFAOYSA-N -1 1 318.323 3.145 20 10 DGCDMM O=C(CCSc1ccccn1)NCc1cccc(Cl)c1[O-] ZINC001653567177 1195734941 /nfs/dbraw/zinc/73/49/41/1195734941.db2.gz ODQDYAXKYADTGP-UHFFFAOYSA-N -1 1 322.817 3.239 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1cccc(-n2ccnn2)c1 ZINC001655899431 1195975021 /nfs/dbraw/zinc/97/50/21/1195975021.db2.gz YBOKYMQXEHOEBR-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM COC(=O)NCc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001657221134 1196120000 /nfs/dbraw/zinc/12/00/00/1196120000.db2.gz NOHBTHAAZRRLEQ-UHFFFAOYSA-N -1 1 322.311 3.139 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC001658973087 1196326765 /nfs/dbraw/zinc/32/67/65/1196326765.db2.gz ZMGSQRSYIWSPTI-QGZVFWFLSA-N -1 1 323.314 3.383 20 10 DGCDMM CN(C(N)=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC001659647263 1196402951 /nfs/dbraw/zinc/40/29/51/1196402951.db2.gz KUGGQTFWVYVRIS-UHFFFAOYSA-N -1 1 323.755 3.312 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnc2[nH]ccc2c1 ZINC001664610773 1197021127 /nfs/dbraw/zinc/02/11/27/1197021127.db2.gz NKYPFSJFNUSLLL-UHFFFAOYSA-N -1 1 316.748 3.195 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CC2CCC1CC2 ZINC001672988673 1197633404 /nfs/dbraw/zinc/63/34/04/1197633404.db2.gz MAROLYNNZQYUGF-MGULZYLOSA-N -1 1 308.809 3.424 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnn2ccccc12 ZINC001679504288 1198801918 /nfs/dbraw/zinc/80/19/18/1198801918.db2.gz HIXSPQODPPQDBM-UHFFFAOYSA-N -1 1 316.748 3.015 20 10 DGCDMM O=C([O-])[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc21 ZINC001594951295 954951430 /nfs/dbraw/zinc/95/14/30/954951430.db2.gz FUHHOAIZIUMEJI-AWEZNQCLSA-N -1 1 317.772 3.230 20 10 DGCDMM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086752841 957980751 /nfs/dbraw/zinc/98/07/51/957980751.db2.gz UZCSBXJMVNLLBB-MRVPVSSYSA-N -1 1 306.189 3.384 20 10 DGCDMM Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC001594327011 958181945 /nfs/dbraw/zinc/18/19/45/958181945.db2.gz MTBDBOWJQAOJFX-GFCCVEGCSA-N -1 1 311.809 3.431 20 10 DGCDMM Cc1cc([O-])c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC001594327011 958181951 /nfs/dbraw/zinc/18/19/51/958181951.db2.gz MTBDBOWJQAOJFX-GFCCVEGCSA-N -1 1 311.809 3.431 20 10 DGCDMM O=C(CNc1cc(Cl)ncc1Cl)c1ccc([O-])c(O)c1 ZINC001170321693 1082345435 /nfs/dbraw/zinc/34/54/35/1082345435.db2.gz CZYPCULZXBARLF-UHFFFAOYSA-N -1 1 313.140 3.094 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CC(Oc2ccccc2F)C1 ZINC001142527584 1087277917 /nfs/dbraw/zinc/27/79/17/1087277917.db2.gz ZWNQGGZXFVGOJG-UHFFFAOYSA-N -1 1 309.287 3.073 20 10 DGCDMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1Cc2cccc(O)c2C1 ZINC001152574001 1088006322 /nfs/dbraw/zinc/00/63/22/1088006322.db2.gz OTTTYOBYZLBVNC-UHFFFAOYSA-N -1 1 323.270 3.273 20 10 DGCDMM Cc1cc2ccccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159279235 1088269260 /nfs/dbraw/zinc/26/92/60/1088269260.db2.gz NJLAOXZDQBPOMJ-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM Cc1ccc(C)c([C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001161098264 1089115336 /nfs/dbraw/zinc/11/53/36/1089115336.db2.gz IKDONMHIRKPBLX-LLVKDONJSA-N -1 1 303.333 3.345 20 10 DGCDMM CN1CCN(Cc2c(F)ccc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001139685728 1091641797 /nfs/dbraw/zinc/64/17/97/1091641797.db2.gz VCYHCPCURYBQFW-QGZVFWFLSA-N -1 1 318.367 3.159 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CCC(Oc2cccnc2)CC1 ZINC001139682645 1091641811 /nfs/dbraw/zinc/64/18/11/1091641811.db2.gz ABXNSKONNPOCPK-UHFFFAOYSA-N -1 1 320.339 3.109 20 10 DGCDMM CCN(Cc1ccc2c(c1)OCO2)Cc1c([O-])cc(F)cc1F ZINC001140585600 1091921193 /nfs/dbraw/zinc/92/11/93/1091921193.db2.gz PDBXBIGSESQBRF-UHFFFAOYSA-N -1 1 321.323 3.421 20 10 DGCDMM O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530956 1092494567 /nfs/dbraw/zinc/49/45/67/1092494567.db2.gz MODBASDAHSNMRL-ZDUSSCGKSA-N -1 1 317.335 3.375 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC001142531430 1092496173 /nfs/dbraw/zinc/49/61/73/1092496173.db2.gz XEXKTDMSWNHTJA-INIZCTEOSA-N -1 1 323.314 3.383 20 10 DGCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC001220724171 1095143903 /nfs/dbraw/zinc/14/39/03/1095143903.db2.gz VOTSZXZUXYHVHJ-JTQLQIEISA-N -1 1 305.765 3.001 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001137840330 1095758368 /nfs/dbraw/zinc/75/83/68/1095758368.db2.gz XSCQZMUSHHTZJM-UHFFFAOYSA-N -1 1 323.371 3.275 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001137839566 1095761031 /nfs/dbraw/zinc/76/10/31/1095761031.db2.gz DMBMZJDJGZMJQT-UHFFFAOYSA-N -1 1 323.371 3.411 20 10 DGCDMM [O-]c1c(F)cccc1CN1Cc2cc(Br)cnc2C1 ZINC001138128677 1095899681 /nfs/dbraw/zinc/89/96/81/1095899681.db2.gz UKHJJYLYOOVFEL-UHFFFAOYSA-N -1 1 323.165 3.205 20 10 DGCDMM C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001229197296 1097275372 /nfs/dbraw/zinc/27/53/72/1097275372.db2.gz NJSDJVCCNCPSKC-VIFPVBQESA-N -1 1 324.332 3.051 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1CC2(C1)CC(F)(F)CS2 ZINC001231912681 1097890578 /nfs/dbraw/zinc/89/05/78/1097890578.db2.gz RYBCPXOOUIRLMH-UHFFFAOYSA-N -1 1 305.777 3.372 20 10 DGCDMM CN(C)c1ccc(CN(C)Cc2ccc(F)c([O-])c2F)cc1 ZINC001232939723 1098177306 /nfs/dbraw/zinc/17/73/06/1098177306.db2.gz LAJMCMADWSNQHC-UHFFFAOYSA-N -1 1 306.356 3.368 20 10 DGCDMM [O-]c1c(CN2CCC(Oc3ccccn3)CC2)ccc(F)c1F ZINC001233077347 1098219776 /nfs/dbraw/zinc/21/97/76/1098219776.db2.gz KJCNNYAWTQRPDY-UHFFFAOYSA-N -1 1 320.339 3.109 20 10 DGCDMM CN(Cc1nc2ccccc2o1)Cc1c([O-])ccc(F)c1F ZINC001233334985 1098291262 /nfs/dbraw/zinc/29/12/62/1098291262.db2.gz CGWWAMGUIMQVNS-UHFFFAOYSA-N -1 1 304.296 3.444 20 10 DGCDMM C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCCC1=O ZINC001233415738 1098323000 /nfs/dbraw/zinc/32/30/00/1098323000.db2.gz HFBZOJPISOVMSK-SNVBAGLBSA-N -1 1 301.308 3.212 20 10 DGCDMM [O-]c1c(CN2CCc3ncsc3C2)cccc1C(F)(F)F ZINC001233418546 1098324693 /nfs/dbraw/zinc/32/46/93/1098324693.db2.gz LRJRGBFOBYDIMV-UHFFFAOYSA-N -1 1 314.332 3.426 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccn(-c2ccccc2)n1 ZINC001179222973 1099039903 /nfs/dbraw/zinc/03/99/03/1099039903.db2.gz XZCIXPMKNBXROX-UHFFFAOYSA-N -1 1 301.296 3.468 20 10 DGCDMM Cc1cncc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001180410833 1099411099 /nfs/dbraw/zinc/41/10/99/1099411099.db2.gz RJNWGILQBPGCLB-AATRIKPKSA-N -1 1 302.761 3.079 20 10 DGCDMM COc1cc(C)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410421 1099411951 /nfs/dbraw/zinc/41/19/51/1099411951.db2.gz PTHBEXANSDDURZ-UHFFFAOYSA-N -1 1 305.761 3.293 20 10 DGCDMM Nc1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001236234829 1099487623 /nfs/dbraw/zinc/48/76/23/1099487623.db2.gz SHLHJXDEMDBNIZ-UHFFFAOYSA-N -1 1 306.768 3.325 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2Cc3ccncc3C2)c1 ZINC001236662939 1099730129 /nfs/dbraw/zinc/73/01/29/1099730129.db2.gz AGAMPVGQCKYECY-UHFFFAOYSA-N -1 1 319.202 3.374 20 10 DGCDMM Cc1ncc2n1CCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236790545 1099785945 /nfs/dbraw/zinc/78/59/45/1099785945.db2.gz PXGYEERXPPANJL-UHFFFAOYSA-N -1 1 312.200 3.220 20 10 DGCDMM O=C1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1F ZINC001236794101 1099786890 /nfs/dbraw/zinc/78/68/90/1099786890.db2.gz PKIMIBBMNTUUFS-NSHDSACASA-N -1 1 306.164 3.202 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCOCC(F)(F)C1 ZINC001236792455 1099787953 /nfs/dbraw/zinc/78/79/53/1099787953.db2.gz DKXJQFXVSRBUIK-UHFFFAOYSA-N -1 1 312.143 3.167 20 10 DGCDMM O=C(Nc1cccc2nsnc21)c1ccc(O)c([O-])c1Cl ZINC001193210423 1100717856 /nfs/dbraw/zinc/71/78/56/1100717856.db2.gz ZCXAORBBQNIOQA-UHFFFAOYSA-N -1 1 321.745 3.008 20 10 DGCDMM O=C(c1ccc2ccc(O)cc2c1[O-])N1Cc2cccc(O)c2C1 ZINC001302786287 1111125552 /nfs/dbraw/zinc/12/55/52/1111125552.db2.gz GZTAOTVCFIRZOY-UHFFFAOYSA-N -1 1 321.332 3.113 20 10 DGCDMM C[C@@H](Sc1ccccn1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001305085212 1111192783 /nfs/dbraw/zinc/19/27/83/1111192783.db2.gz SYRSRAMGTRNVOG-SNVBAGLBSA-N -1 1 322.817 3.238 20 10 DGCDMM C/C(=C\c1ccncc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001305084365 1111193153 /nfs/dbraw/zinc/19/31/53/1111193153.db2.gz IMJWXKNDXQUAJN-PKNBQFBNSA-N -1 1 302.761 3.160 20 10 DGCDMM CC(C)C1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC001306710988 1111237403 /nfs/dbraw/zinc/23/74/03/1111237403.db2.gz RGADCZUHDQQCQY-UHFFFAOYSA-N -1 1 309.381 3.429 20 10 DGCDMM Cn1cc(NCc2cc(F)cc(F)c2[O-])c(-c2ccccn2)n1 ZINC001308370145 1111423030 /nfs/dbraw/zinc/42/30/30/1111423030.db2.gz XPTUJIUEYQJFIW-UHFFFAOYSA-N -1 1 316.311 3.078 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cscn2)c1[O-] ZINC000050142262 431946949 /nfs/dbraw/zinc/94/69/49/431946949.db2.gz WBEFPWXIKXPNTP-UHFFFAOYSA-N -1 1 310.806 3.337 20 10 DGCDMM CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000152626153 432345777 /nfs/dbraw/zinc/34/57/77/432345777.db2.gz HFCYAKYVMHYFLV-CQSZACIVSA-N -1 1 307.375 3.172 20 10 DGCDMM CC[C@@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277582083 432862103 /nfs/dbraw/zinc/86/21/03/432862103.db2.gz RMEMWLKHSCZWJB-ZJUUUORDSA-N -1 1 314.223 3.453 20 10 DGCDMM CC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277576162 432862276 /nfs/dbraw/zinc/86/22/76/432862276.db2.gz RCBKZOZVKRAACX-UHFFFAOYSA-N -1 1 300.196 3.207 20 10 DGCDMM CCN(CC)c1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000737087795 574822934 /nfs/dbraw/zinc/82/29/34/574822934.db2.gz CHHCEEWBRRMFBO-UHFFFAOYSA-N -1 1 316.401 3.456 20 10 DGCDMM CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826907 575753875 /nfs/dbraw/zinc/75/38/75/575753875.db2.gz UBWXMYMEQWXKHN-HZPDHXFCSA-N -1 1 323.408 3.369 20 10 DGCDMM CC[C@@H](C)Oc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC ZINC000749452934 576095761 /nfs/dbraw/zinc/09/57/61/576095761.db2.gz QMZOPILILVUZPV-TVNQGELYSA-N -1 1 323.439 3.361 20 10 DGCDMM CC[C@H](N[C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161953 617632255 /nfs/dbraw/zinc/63/22/55/617632255.db2.gz PSUSJKMNNIKJIK-RNCFNFMXSA-N -1 1 321.812 3.169 20 10 DGCDMM CC[C@@H](N[C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161952 617632288 /nfs/dbraw/zinc/63/22/88/617632288.db2.gz PSUSJKMNNIKJIK-NOZJJQNGSA-N -1 1 321.812 3.169 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1csc(C2CC2)n1 ZINC000890757973 617656020 /nfs/dbraw/zinc/65/60/20/617656020.db2.gz PAYZOJKLGRUWAD-UHFFFAOYSA-N -1 1 308.790 3.310 20 10 DGCDMM Cc1noc(C2CC2)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759536 617656443 /nfs/dbraw/zinc/65/64/43/617656443.db2.gz NDRKYGXMMMHPJO-UHFFFAOYSA-N -1 1 306.749 3.149 20 10 DGCDMM CC(=O)[C@@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC000890759735 617656463 /nfs/dbraw/zinc/65/64/63/617656463.db2.gz PTDGQZSEHSZPFV-OLZOCXBDSA-N -1 1 323.820 3.303 20 10 DGCDMM Cc1[nH]nc(C(C)C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760141 617656538 /nfs/dbraw/zinc/65/65/38/617656538.db2.gz JNTIXOLVDKFKBM-UHFFFAOYSA-N -1 1 307.781 3.131 20 10 DGCDMM Cc1n[nH]c(C(C)C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760141 617656539 /nfs/dbraw/zinc/65/65/39/617656539.db2.gz JNTIXOLVDKFKBM-UHFFFAOYSA-N -1 1 307.781 3.131 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000890761264 617657008 /nfs/dbraw/zinc/65/70/08/617657008.db2.gz OCLBNIKHQUUJCC-VNQPRFMTSA-N -1 1 313.784 3.248 20 10 DGCDMM Cc1ncsc1CCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890761013 617657372 /nfs/dbraw/zinc/65/73/72/617657372.db2.gz IHKNASNGJXKVEY-UHFFFAOYSA-N -1 1 310.806 3.060 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])c1nccs1 ZINC000890762820 617658533 /nfs/dbraw/zinc/65/85/33/617658533.db2.gz JUTWXJSZRCXAJF-UHFFFAOYSA-N -1 1 310.806 3.096 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@]12CCO[C@H]1CCCC2 ZINC000890763499 617658988 /nfs/dbraw/zinc/65/89/88/617658988.db2.gz XABPBDKSVXTGGK-XJKSGUPXSA-N -1 1 309.793 3.011 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCC1(F)F ZINC000894862313 618481797 /nfs/dbraw/zinc/48/17/97/618481797.db2.gz HBNMNFKWYWDPEP-SNVBAGLBSA-N -1 1 304.724 3.033 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCC[C@H]1F ZINC000895369625 618603935 /nfs/dbraw/zinc/60/39/35/618603935.db2.gz CEYLVJVGAFXJBP-VXGBXAGGSA-N -1 1 300.761 3.126 20 10 DGCDMM O=C(NCC[C@H]1CCCS1)NCc1cccc(Cl)c1[O-] ZINC000896127479 618876361 /nfs/dbraw/zinc/87/63/61/618876361.db2.gz WPONHNANRJUKOR-LLVKDONJSA-N -1 1 314.838 3.131 20 10 DGCDMM C[C@H]1CCC[C@H](C2CN(C(=O)c3c(F)ccc(O)c3[O-])C2)C1 ZINC000881442872 625377028 /nfs/dbraw/zinc/37/70/28/625377028.db2.gz QZWCBEBOUPVSLT-QWRGUYRKSA-N -1 1 307.365 3.135 20 10 DGCDMM CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000769447588 620885574 /nfs/dbraw/zinc/88/55/74/620885574.db2.gz SNBWKBLCYAGOIF-NSHDSACASA-N -1 1 316.810 3.281 20 10 DGCDMM C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)cc(F)c1[O-] ZINC000756858250 621669064 /nfs/dbraw/zinc/66/90/64/621669064.db2.gz SMUQOHCNQQGKFY-SNVBAGLBSA-N -1 1 316.311 3.424 20 10 DGCDMM O=[N+]([O-])c1cccnc1NCc1cccc(Br)c1[O-] ZINC000764934828 622234126 /nfs/dbraw/zinc/23/41/26/622234126.db2.gz NITITACNQAMFBS-UHFFFAOYSA-N -1 1 324.134 3.070 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C(C1CC1)C1CC1 ZINC000765727555 622284568 /nfs/dbraw/zinc/28/45/68/622284568.db2.gz CNZYXCWRKRNKJM-UHFFFAOYSA-N -1 1 324.218 3.207 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC12CCCC2 ZINC000765768296 622285899 /nfs/dbraw/zinc/28/58/99/622285899.db2.gz IQGONQMOEIDWER-LLVKDONJSA-N -1 1 324.218 3.351 20 10 DGCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])c1ccc(F)cc1 ZINC000789975369 625589605 /nfs/dbraw/zinc/58/96/05/625589605.db2.gz YXBKCXNOINXNDJ-UHFFFAOYSA-N -1 1 321.323 3.084 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000778242051 623631719 /nfs/dbraw/zinc/63/17/19/623631719.db2.gz QTGQPXXEOGHXOB-OAHLLOKOSA-N -1 1 311.809 3.105 20 10 DGCDMM O=C1N[C@H](c2cc(Cl)c(F)cc2[O-])Nc2cc(F)ccc21 ZINC000877849222 624068156 /nfs/dbraw/zinc/06/81/56/624068156.db2.gz SAPUFVVBGINOGS-CYBMUJFWSA-N -1 1 310.687 3.178 20 10 DGCDMM Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)c(F)cc1[O-])N2 ZINC000877862064 624073169 /nfs/dbraw/zinc/07/31/69/624073169.db2.gz GGXCVOWMNFLACP-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM C[C@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783199652 624322894 /nfs/dbraw/zinc/32/28/94/624322894.db2.gz PRJRDRGFMIYWSO-RYUDHWBXSA-N -1 1 306.358 3.040 20 10 DGCDMM CNC(=O)Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790953086 625722171 /nfs/dbraw/zinc/72/21/71/625722171.db2.gz PXNMQOCYJISRMR-UHFFFAOYSA-N -1 1 322.767 3.085 20 10 DGCDMM CC(=O)NCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790982273 625729567 /nfs/dbraw/zinc/72/95/67/625729567.db2.gz SNJSOTSNBOEFMB-UHFFFAOYSA-N -1 1 322.767 3.433 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(O[C@H]2CCOC2)cc1 ZINC000883016450 625897290 /nfs/dbraw/zinc/89/72/90/625897290.db2.gz ZMSKBHGPQCFLEP-HNNXBMFYSA-N -1 1 321.323 3.450 20 10 DGCDMM CC(C)(O)COc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883067110 625914345 /nfs/dbraw/zinc/91/43/45/625914345.db2.gz UWUVPEJQGARFDJ-UHFFFAOYSA-N -1 1 323.339 3.432 20 10 DGCDMM COCc1cc(NCc2cc(F)cc(F)c2[O-])ccc1OC ZINC000883197694 625967582 /nfs/dbraw/zinc/96/75/82/625967582.db2.gz QYJKZQKQKICDQU-UHFFFAOYSA-N -1 1 309.312 3.438 20 10 DGCDMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(N(C)C)cc1 ZINC000809777919 626950858 /nfs/dbraw/zinc/95/08/58/626950858.db2.gz IONCBZAUBQDPJK-SNVBAGLBSA-N -1 1 320.339 3.227 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(-n2ccnn2)cc1 ZINC000816526035 627802657 /nfs/dbraw/zinc/80/26/57/627802657.db2.gz QVYXYQXFENKKLS-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM NC(=O)Nc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525028 627802779 /nfs/dbraw/zinc/80/27/79/627802779.db2.gz BFBHXPYFIKJVNM-UHFFFAOYSA-N -1 1 309.728 3.287 20 10 DGCDMM O=C1NCCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816563815 627808649 /nfs/dbraw/zinc/80/86/49/627808649.db2.gz KQPACKCUPZTCPN-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C(=O)[O-] ZINC000818631946 628045627 /nfs/dbraw/zinc/04/56/27/628045627.db2.gz WQSXVSYPHHDRGM-PELKAZGASA-N -1 1 318.200 3.384 20 10 DGCDMM O=C(COC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc([O-])c(O)c1 ZINC000829746235 629187290 /nfs/dbraw/zinc/18/72/90/629187290.db2.gz PLCOODYOLKPGMQ-ZIAGYGMSSA-N -1 1 318.369 3.040 20 10 DGCDMM C[C@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000830418654 629267463 /nfs/dbraw/zinc/26/74/63/629267463.db2.gz JLMONFQWTJSABE-SSDOTTSWSA-N -1 1 309.259 3.088 20 10 DGCDMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000849305477 631886808 /nfs/dbraw/zinc/88/68/08/631886808.db2.gz NAAWKYRXXCYPLL-GFCCVEGCSA-N -1 1 321.398 3.370 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(F)c(C(F)(F)F)c1 ZINC000255325209 655699505 /nfs/dbraw/zinc/69/95/05/655699505.db2.gz FUJSRQOWBIGASB-YWEYNIOJSA-N -1 1 307.293 3.333 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1ccc(CCO)cc1 ZINC000048797671 655777868 /nfs/dbraw/zinc/77/78/68/655777868.db2.gz HGIMFZDIGFPENN-UHFFFAOYSA-N -1 1 322.202 3.302 20 10 DGCDMM COc1ccc(NCc2cccc(Br)c2[O-])cn1 ZINC000042411494 658772331 /nfs/dbraw/zinc/77/23/31/658772331.db2.gz OQWZKQXJCOAVLT-UHFFFAOYSA-N -1 1 309.163 3.170 20 10 DGCDMM CCO[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000155447401 661847066 /nfs/dbraw/zinc/84/70/66/661847066.db2.gz BRJYBWPTCLPVAT-GFCCVEGCSA-N -1 1 314.223 3.156 20 10 DGCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190739685 662042133 /nfs/dbraw/zinc/04/21/33/662042133.db2.gz NXLWUJKMEQVLBM-UHFFFAOYSA-N -1 1 323.396 3.040 20 10 DGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000094062267 662362619 /nfs/dbraw/zinc/36/26/19/662362619.db2.gz UBZJUGDOWORURU-UHFFFAOYSA-N -1 1 316.376 3.260 20 10 DGCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1C(=O)[O-] ZINC000380164207 685151985 /nfs/dbraw/zinc/15/19/85/685151985.db2.gz ZYRZKXKSDMGCRH-LDYMZIIASA-N -1 1 318.200 3.242 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cc2ncccc2o1 ZINC001586682828 1192344050 /nfs/dbraw/zinc/34/40/50/1192344050.db2.gz JDPOSPBAHHGBNS-UHFFFAOYSA-N -1 1 314.688 3.270 20 10 DGCDMM O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001601817641 1192946860 /nfs/dbraw/zinc/94/68/60/1192946860.db2.gz VZGKOPOPNADEMC-GFCCVEGCSA-N -1 1 301.745 3.014 20 10 DGCDMM O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(F)c1 ZINC001602347646 1192972600 /nfs/dbraw/zinc/97/26/00/1192972600.db2.gz GVABDTZJKFPDLO-UHFFFAOYSA-N -1 1 309.724 3.173 20 10 DGCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC1 ZINC001603199027 1193010765 /nfs/dbraw/zinc/01/07/65/1193010765.db2.gz UNQJNHLMIPITNU-MRVPVSSYSA-N -1 1 301.745 3.012 20 10 DGCDMM CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC001441718349 1182068576 /nfs/dbraw/zinc/06/85/76/1182068576.db2.gz XKTNQLVQUZRCBP-UHFFFAOYSA-N -1 1 316.376 3.308 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1csc(Cl)n1 ZINC001457037658 1182440520 /nfs/dbraw/zinc/44/05/20/1182440520.db2.gz RMNHLDZDJJSWEH-UHFFFAOYSA-N -1 1 303.170 3.086 20 10 DGCDMM Cc1oc2ccccc2c1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001457738139 1182478750 /nfs/dbraw/zinc/47/87/50/1182478750.db2.gz JIYLDIAWZPSXJA-UHFFFAOYSA-N -1 1 315.300 3.222 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001471348760 1183557372 /nfs/dbraw/zinc/55/73/72/1183557372.db2.gz BDNCKNWUUYZAGI-IXOXFDKPSA-N -1 1 308.809 3.137 20 10 DGCDMM O=C(NCc1ccc(C2CC2)cc1F)c1c(F)ccc(O)c1[O-] ZINC001611424673 1193433487 /nfs/dbraw/zinc/43/34/87/1193433487.db2.gz ZZZBWBIKXRRETP-UHFFFAOYSA-N -1 1 319.307 3.183 20 10 DGCDMM O=C(Nc1c([O-])cccc1F)c1cc2cc(O)c(O)cc2s1 ZINC001557409155 1189062923 /nfs/dbraw/zinc/06/29/23/1189062923.db2.gz FZCQOUHKCYJDHF-UHFFFAOYSA-N -1 1 319.313 3.410 20 10 DGCDMM C[C@@H](CN(C)C(=O)c1c([O-])c(O)ccc1F)c1ccccc1 ZINC001558925440 1189156943 /nfs/dbraw/zinc/15/69/43/1189156943.db2.gz JZZDBCQRSQDWKI-NSHDSACASA-N -1 1 303.333 3.113 20 10 DGCDMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1c(F)ccc(O)c1[O-] ZINC001558971711 1189160207 /nfs/dbraw/zinc/16/02/07/1189160207.db2.gz BDYALXSPANPZQH-UMSPYCQHSA-N -1 1 319.307 3.052 20 10 DGCDMM COc1cc(NCc2cc(F)cc(F)c2[O-])ccc1NC(C)=O ZINC001560275475 1189303872 /nfs/dbraw/zinc/30/38/72/1189303872.db2.gz DDIKCTILLCILES-UHFFFAOYSA-N -1 1 322.311 3.250 20 10 DGCDMM Cn1ccc2ccc(NCc3cc(F)cc(F)c3[O-])cc2c1=O ZINC001560465696 1189331455 /nfs/dbraw/zinc/33/14/55/1189331455.db2.gz DLTHTYGJGUWDGK-UHFFFAOYSA-N -1 1 316.307 3.134 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(c1)OCO2 ZINC001562158494 1189475581 /nfs/dbraw/zinc/47/55/81/1189475581.db2.gz HQKDENHQBZVKRV-UHFFFAOYSA-N -1 1 320.732 3.096 20 10 DGCDMM O=C1CCCN1c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001620733242 1193796266 /nfs/dbraw/zinc/79/62/66/1193796266.db2.gz HQWTVCQSKPRHNH-UHFFFAOYSA-N -1 1 318.323 3.409 20 10 DGCDMM CCCN(Cc1ccccc1O)C(=O)c1cccc([O-])c1F ZINC001629959857 1194261759 /nfs/dbraw/zinc/26/17/59/1194261759.db2.gz QXEPLELNZRDICS-UHFFFAOYSA-N -1 1 303.333 3.289 20 10 DGCDMM CNc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001637232219 1194658066 /nfs/dbraw/zinc/65/80/66/1194658066.db2.gz MTXRMMMEQAFTAO-UHFFFAOYSA-N -1 1 308.740 3.156 20 10 DGCDMM CSC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCCC1 ZINC001639062691 1194749273 /nfs/dbraw/zinc/74/92/73/1194749273.db2.gz ZHJQMEXZTPCHJR-UHFFFAOYSA-N -1 1 313.394 3.033 20 10 DGCDMM CC(=O)c1ccccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001648606321 1195313309 /nfs/dbraw/zinc/31/33/09/1195313309.db2.gz NRFXONURAFLELB-UHFFFAOYSA-N -1 1 303.745 3.178 20 10 DGCDMM COC(=O)[C@@H](NCc1ccc(Cl)cc1[O-])c1cccs1 ZINC001652247698 1195568813 /nfs/dbraw/zinc/56/88/13/1195568813.db2.gz IOLXECWKFZJEAH-ZDUSSCGKSA-N -1 1 311.790 3.111 20 10 DGCDMM Cc1ccccc1CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC001685375403 1199470247 /nfs/dbraw/zinc/47/02/47/1199470247.db2.gz CSLBOEVGEGPEJR-UHFFFAOYSA-N -1 1 318.804 3.396 20 10 DGCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000242757698 1203573147 /nfs/dbraw/zinc/57/31/47/1203573147.db2.gz DKOAGKIEDBGAJZ-UHFFFAOYSA-N -1 1 310.806 3.207 20 10 DGCDMM O=C([O-])[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001594842244 954088655 /nfs/dbraw/zinc/08/86/55/954088655.db2.gz BGLYTVNAYOAPQC-AWEZNQCLSA-N -1 1 309.724 3.100 20 10 DGCDMM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c(O)c1 ZINC001597100132 986703129 /nfs/dbraw/zinc/70/31/29/986703129.db2.gz BPYWPSWDTUTZIT-UHFFFAOYSA-N -1 1 319.357 3.023 20 10 DGCDMM CN(Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598530410 992771789 /nfs/dbraw/zinc/77/17/89/992771789.db2.gz FKEDLHOSNUZFOB-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM C[C@@H](NCc1cc(Cl)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593293276 994682500 /nfs/dbraw/zinc/68/25/00/994682500.db2.gz SYFDRZBIOJOGNU-SSDOTTSWSA-N -1 1 312.778 3.051 20 10 DGCDMM CN(Cc1cc(Cl)cc(Br)c1[O-])C1(C)COC1 ZINC001141372867 1092220286 /nfs/dbraw/zinc/22/02/86/1092220286.db2.gz APQIMQQNAVIPET-UHFFFAOYSA-N -1 1 320.614 3.029 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1CCO[C@H](C(F)(F)F)CC1 ZINC000687288330 1103090782 /nfs/dbraw/zinc/09/07/82/1103090782.db2.gz AGGGXVVYXBEJKI-NSHDSACASA-N -1 1 309.715 3.199 20 10 DGCDMM O=C(CNc1ccnc2c(F)cccc12)c1ccc([O-])c(O)c1 ZINC001170321650 1082344806 /nfs/dbraw/zinc/34/48/06/1082344806.db2.gz BPADGKHISPDKBE-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM O=C(CNc1ncccc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC001170316780 1082345395 /nfs/dbraw/zinc/34/53/95/1082345395.db2.gz NYZZBSOTYOCZMI-UHFFFAOYSA-N -1 1 320.348 3.455 20 10 DGCDMM Cc1nc2c(cccc2NCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001170323018 1082346720 /nfs/dbraw/zinc/34/67/20/1082346720.db2.gz TXVRTNAWBRUBMM-UHFFFAOYSA-N -1 1 314.366 3.311 20 10 DGCDMM O=C1CC[C@@H](c2ccccc2NCc2cc(F)cc(F)c2[O-])N1 ZINC001183597122 1083984496 /nfs/dbraw/zinc/98/44/96/1083984496.db2.gz ISHVJZOJDYWGEH-HNNXBMFYSA-N -1 1 318.323 3.234 20 10 DGCDMM O=C1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@H]1F ZINC001236794114 1089887468 /nfs/dbraw/zinc/88/74/68/1089887468.db2.gz PWDXWVLJHHJHPN-LLVKDONJSA-N -1 1 306.164 3.202 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCOC[C@H]1C1CC1 ZINC001237085303 1090284647 /nfs/dbraw/zinc/28/46/47/1090284647.db2.gz XRVFHTIXGXEEHV-LBPRGKRZSA-N -1 1 302.201 3.310 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CCC(Oc2ccncc2)CC1 ZINC001139680908 1091641702 /nfs/dbraw/zinc/64/17/02/1091641702.db2.gz FCDZRWGDBQOXFZ-UHFFFAOYSA-N -1 1 320.339 3.109 20 10 DGCDMM [O-]c1cccc(Cl)c1CN1[C@@H](CO)CCC[C@@H]1C(F)(F)F ZINC001140337785 1091832625 /nfs/dbraw/zinc/83/26/25/1091832625.db2.gz DYUYTJRSIDYQQW-NOZJJQNGSA-N -1 1 323.742 3.323 20 10 DGCDMM CN(CCC(=O)c1cccs1)Cc1c([O-])cc(F)cc1F ZINC001140584183 1091919252 /nfs/dbraw/zinc/91/92/52/1091919252.db2.gz HKAGAPCHXDUASG-UHFFFAOYSA-N -1 1 311.353 3.437 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccccc2F)CC1 ZINC001142521032 1092495499 /nfs/dbraw/zinc/49/54/99/1092495499.db2.gz VBHGMHODTFKORM-UHFFFAOYSA-N -1 1 322.330 3.132 20 10 DGCDMM CC(C)C(C)(C)CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001214006371 1093694473 /nfs/dbraw/zinc/69/44/73/1093694473.db2.gz JJPJKPXVNKIZFA-UHFFFAOYSA-N -1 1 319.854 3.147 20 10 DGCDMM CC(=O)c1csc(C(=O)[N-]c2c3nonc3ccc2Cl)c1 ZINC001116850979 1095679958 /nfs/dbraw/zinc/67/99/58/1095679958.db2.gz XYINTENKDGBVEA-UHFFFAOYSA-N -1 1 321.745 3.393 20 10 DGCDMM O=C([O-])c1ccc(CN2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001231455271 1097753305 /nfs/dbraw/zinc/75/33/05/1097753305.db2.gz MAJUAHYDDNALCJ-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM [O-]c1c(CN2CCOC[C@H]2C2CCCCC2)ccc(F)c1F ZINC001233078893 1098221384 /nfs/dbraw/zinc/22/13/84/1098221384.db2.gz NHAGSWRRPHUENU-HNNXBMFYSA-N -1 1 311.372 3.452 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2cccc(F)c2)CC1 ZINC001233336241 1098293594 /nfs/dbraw/zinc/29/35/94/1098293594.db2.gz FASGFUBNBWVREV-UHFFFAOYSA-N -1 1 322.330 3.132 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cncnc1 ZINC001233497117 1098351243 /nfs/dbraw/zinc/35/12/43/1098351243.db2.gz NCZLUKRTOPJAEC-JTQLQIEISA-N -1 1 302.330 3.011 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1CCOCC1 ZINC001233495864 1098351567 /nfs/dbraw/zinc/35/15/67/1098351567.db2.gz SYQOZAZQUMETPB-NSHDSACASA-N -1 1 308.374 3.275 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC1CC(C)(C)OC(C)(C)C1 ZINC001234475260 1098564732 /nfs/dbraw/zinc/56/47/32/1098564732.db2.gz FEEMGBTXGHOGGG-UHFFFAOYSA-N -1 1 308.374 3.415 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H](C)Oc1ccccc1 ZINC001234476720 1098566443 /nfs/dbraw/zinc/56/64/43/1098566443.db2.gz OIZDZFYGYSQZTQ-LLVKDONJSA-N -1 1 302.326 3.147 20 10 DGCDMM O=C(CSc1ccc(O)cc1)NCc1cccc(Cl)c1[O-] ZINC001180410474 1099411488 /nfs/dbraw/zinc/41/14/88/1099411488.db2.gz QKOAVERLGGFUBT-UHFFFAOYSA-N -1 1 323.801 3.160 20 10 DGCDMM COc1cc(C)sc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180411360 1099413589 /nfs/dbraw/zinc/41/35/89/1099413589.db2.gz XCVKDCDXNJGRBJ-UHFFFAOYSA-N -1 1 311.790 3.354 20 10 DGCDMM Cc1nc(CN(C)Cc2cc(Cl)c(Cl)cc2[O-])no1 ZINC001236792371 1099788557 /nfs/dbraw/zinc/78/85/57/1099788557.db2.gz DCRXNTNRWQJCSF-UHFFFAOYSA-N -1 1 302.161 3.022 20 10 DGCDMM C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236794255 1099788753 /nfs/dbraw/zinc/78/87/53/1099788753.db2.gz QZBLKAITBVGVGR-UWVGGRQHSA-N -1 1 304.217 3.292 20 10 DGCDMM Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001236794294 1099787279 /nfs/dbraw/zinc/78/72/79/1099787279.db2.gz RIMNEMICQOLRDA-CQSZACIVSA-N -1 1 302.201 3.454 20 10 DGCDMM COc1ccc(CN2CC(C)(C)OC(C)(C)C2)c([O-])c1Cl ZINC001236810300 1099799792 /nfs/dbraw/zinc/79/97/92/1099799792.db2.gz SBKKKBSLTZXSSU-UHFFFAOYSA-N -1 1 313.825 3.444 20 10 DGCDMM CCOC(=O)[C@@H]1CCCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237126976 1099983736 /nfs/dbraw/zinc/98/37/36/1099983736.db2.gz RFLSXLCKPIRBFI-LBPRGKRZSA-N -1 1 315.772 3.102 20 10 DGCDMM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950610 1100300334 /nfs/dbraw/zinc/30/03/34/1100300334.db2.gz XPHQXCHDJXNNSN-VIFPVBQESA-N -1 1 317.788 3.347 20 10 DGCDMM O=C(Nc1ncnc2sccc21)c1ccc(O)c([O-])c1Cl ZINC001193210332 1100717423 /nfs/dbraw/zinc/71/74/23/1100717423.db2.gz XREPXHSKMWRNRF-UHFFFAOYSA-N -1 1 321.745 3.008 20 10 DGCDMM CCCC[C@H](CC)COC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001193983910 1100849325 /nfs/dbraw/zinc/84/93/25/1100849325.db2.gz OFSXASBJEHITMA-LBPRGKRZSA-N -1 1 323.389 3.223 20 10 DGCDMM O=S(=O)(/C=C/c1ccccc1)Nc1cc(F)c([O-])c(F)c1 ZINC001253037828 1105881649 /nfs/dbraw/zinc/88/16/49/1105881649.db2.gz HRWQYTVTIARXTG-VOTSOKGWSA-N -1 1 311.309 3.083 20 10 DGCDMM CCc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001255067674 1106174333 /nfs/dbraw/zinc/17/43/33/1106174333.db2.gz HBGBBVCUGHAFAS-UHFFFAOYSA-N -1 1 313.325 3.034 20 10 DGCDMM Cc1c(C)c([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1O ZINC001256796481 1106485623 /nfs/dbraw/zinc/48/56/23/1106485623.db2.gz WGTDFEXICZFYKS-UHFFFAOYSA-N -1 1 311.790 3.463 20 10 DGCDMM CC(C)c1cc(C(=O)[N-]c2c3nonc3ccc2Cl)no1 ZINC001261140570 1107351750 /nfs/dbraw/zinc/35/17/50/1107351750.db2.gz XEGKLALFTIKVJB-UHFFFAOYSA-N -1 1 306.709 3.240 20 10 DGCDMM Cc1coc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC001322488612 1107687296 /nfs/dbraw/zinc/68/72/96/1107687296.db2.gz TWJXUBXJYXRUOP-UHFFFAOYSA-N -1 1 324.174 3.295 20 10 DGCDMM CCc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1O ZINC001305084868 1111192943 /nfs/dbraw/zinc/19/29/43/1111192943.db2.gz OKXVZPRRARMPQJ-UHFFFAOYSA-N -1 1 305.761 3.244 20 10 DGCDMM CSc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccn1 ZINC001305069485 1111193167 /nfs/dbraw/zinc/19/31/67/1111193167.db2.gz HBSNZQUMTSYIQK-UHFFFAOYSA-N -1 1 308.790 3.093 20 10 DGCDMM COc1c(O)c(C[NH2+]C2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278892002 432913278 /nfs/dbraw/zinc/91/32/78/432913278.db2.gz PVCDFYHLINUKPW-UHFFFAOYSA-N -1 1 314.341 3.088 20 10 DGCDMM CCc1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000291822816 433365229 /nfs/dbraw/zinc/36/52/29/433365229.db2.gz DOFLGFLTIYNITR-SECBINFHSA-N -1 1 305.334 3.010 20 10 DGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000375334000 433433521 /nfs/dbraw/zinc/43/35/21/433433521.db2.gz AYWFQAOLQHAIGB-JKSUJKDBSA-N -1 1 323.820 3.392 20 10 DGCDMM CCCC[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1O ZINC000282392483 433595072 /nfs/dbraw/zinc/59/50/72/433595072.db2.gz GZMNOAVBMLRSDM-UHFFFAOYSA-N -1 1 301.390 3.455 20 10 DGCDMM CCN(CC)c1ccc(C=C2SC(=S)[N-]C2=O)cc1F ZINC000128393175 520882633 /nfs/dbraw/zinc/88/26/33/520882633.db2.gz DOYNDINDRCTJGQ-WQLSENKSSA-N -1 1 310.419 3.161 20 10 DGCDMM CC(C)(C)OC(=O)c1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000272287077 534956404 /nfs/dbraw/zinc/95/64/04/534956404.db2.gz VJHUCOLPAOPEBN-FLIBITNWSA-N -1 1 321.423 3.131 20 10 DGCDMM Cc1ccccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738772277 574881700 /nfs/dbraw/zinc/88/17/00/574881700.db2.gz YARXRCHKZYXYSH-UHFFFAOYSA-N -1 1 319.788 3.441 20 10 DGCDMM Cc1ccccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738772277 574881702 /nfs/dbraw/zinc/88/17/02/574881702.db2.gz YARXRCHKZYXYSH-UHFFFAOYSA-N -1 1 319.788 3.441 20 10 DGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000740700788 574939755 /nfs/dbraw/zinc/93/97/55/574939755.db2.gz IHXPRQKVUDQQTC-UHFFFAOYSA-N -1 1 315.753 3.294 20 10 DGCDMM COCc1ccc(SCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000747813854 575542891 /nfs/dbraw/zinc/54/28/91/575542891.db2.gz MBXXCLYMVODNNK-UHFFFAOYSA-N -1 1 304.367 3.219 20 10 DGCDMM CC[C@H](C)Oc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC ZINC000749452883 575657000 /nfs/dbraw/zinc/65/70/00/575657000.db2.gz QMZOPILILVUZPV-ITTMYVLYSA-N -1 1 323.439 3.361 20 10 DGCDMM Cc1cc(C)c(C(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC000890762355 617657049 /nfs/dbraw/zinc/65/70/49/617657049.db2.gz AAAQLBSJTXLXSD-UHFFFAOYSA-N -1 1 304.777 3.296 20 10 DGCDMM CC1(C)CO[C@@H](CCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762449 617657789 /nfs/dbraw/zinc/65/77/89/617657789.db2.gz CURWDBWCNDDQLE-LBPRGKRZSA-N -1 1 311.809 3.257 20 10 DGCDMM COC1(C(=O)NCc2cccc(Cl)c2[O-])CCCCCC1 ZINC000890762515 617657879 /nfs/dbraw/zinc/65/78/79/617657879.db2.gz FTEAIRCPGUTWIQ-UHFFFAOYSA-N -1 1 311.809 3.401 20 10 DGCDMM Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])nc1C ZINC000895296890 618590683 /nfs/dbraw/zinc/59/06/83/618590683.db2.gz DLBZOHYOTQIJDG-UHFFFAOYSA-N -1 1 319.792 3.057 20 10 DGCDMM Cn1ccc([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000896490275 618917832 /nfs/dbraw/zinc/91/78/32/618917832.db2.gz RIUUBHNIQPFBDD-NSHDSACASA-N -1 1 323.799 3.298 20 10 DGCDMM O=c1[nH]c2ccc(NCc3c([O-])ccc(Cl)c3F)cc2[nH]1 ZINC000863989498 621725236 /nfs/dbraw/zinc/72/52/36/621725236.db2.gz RACBJRCKQNJDRA-UHFFFAOYSA-N -1 1 307.712 3.379 20 10 DGCDMM O=C1N[C@H](c2cc(Cl)cc(F)c2[O-])Nc2cc(F)ccc21 ZINC000768266626 622447978 /nfs/dbraw/zinc/44/79/78/622447978.db2.gz WZWWOSJNDVNJNU-CYBMUJFWSA-N -1 1 310.687 3.178 20 10 DGCDMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(N(C)C)cc1 ZINC000772997666 622963084 /nfs/dbraw/zinc/96/30/84/622963084.db2.gz VFZOZLVOYMWGSL-LLVKDONJSA-N -1 1 302.349 3.088 20 10 DGCDMM CCCCN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774546960 623159980 /nfs/dbraw/zinc/15/99/80/623159980.db2.gz JTJCAICZFLYIED-KRWDZBQOSA-N -1 1 318.804 3.429 20 10 DGCDMM CC(C)(C)CCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000805584711 623516251 /nfs/dbraw/zinc/51/62/51/623516251.db2.gz HGRRUNKHZUDPJH-UHFFFAOYSA-N -1 1 308.374 3.430 20 10 DGCDMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(F)c1[O-] ZINC000778519621 623663871 /nfs/dbraw/zinc/66/38/71/623663871.db2.gz JPLALLVAYOBYLQ-AWEZNQCLSA-N -1 1 306.724 3.381 20 10 DGCDMM Cn1cc(C(F)F)c(CNCc2cccc(Cl)c2[O-])n1 ZINC000877734220 624008475 /nfs/dbraw/zinc/00/84/75/624008475.db2.gz MSGCZGVHWBRJQY-UHFFFAOYSA-N -1 1 301.724 3.007 20 10 DGCDMM CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877842921 624066028 /nfs/dbraw/zinc/06/60/28/624066028.db2.gz LULLXKGJZZXSNS-CQSZACIVSA-N -1 1 306.724 3.063 20 10 DGCDMM Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)c(F)cc1[O-])N2 ZINC000877848597 624068309 /nfs/dbraw/zinc/06/83/09/624068309.db2.gz TYOKDPBDQIDAIB-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM O=C1N(c2ccccc2)[C@H](c2cc(Cl)ccc2[O-])NC12CC2 ZINC000877857619 624071437 /nfs/dbraw/zinc/07/14/37/624071437.db2.gz WFLLAPRDQYVBJT-OAHLLOKOSA-N -1 1 314.772 3.213 20 10 DGCDMM CC1(C)N[C@H](c2cc(Cl)ccc2[O-])N(c2ccccc2)C1=O ZINC000877857562 624071471 /nfs/dbraw/zinc/07/14/71/624071471.db2.gz UOSLVARPIFVYAY-HNNXBMFYSA-N -1 1 316.788 3.459 20 10 DGCDMM O=C1N[C@@H](c2cccc(Cl)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859369 624072650 /nfs/dbraw/zinc/07/26/50/624072650.db2.gz RJWZWEGLMOSTQN-ZDUSSCGKSA-N -1 1 310.687 3.178 20 10 DGCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCCCC1 ZINC000783357261 624339763 /nfs/dbraw/zinc/33/97/63/624339763.db2.gz PNQKDCHBQLFSLT-GFCCVEGCSA-N -1 1 320.385 3.430 20 10 DGCDMM O=C1COc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2N1 ZINC000790950804 625720924 /nfs/dbraw/zinc/72/09/24/625720924.db2.gz FIWXMJDYYFGASU-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM O=C(COC(=O)[C@@H](F)CC1CCCCC1)c1ccc([O-])c(O)c1 ZINC000796205950 626029851 /nfs/dbraw/zinc/02/98/51/626029851.db2.gz LAEYSIGFPQIOKI-ZDUSSCGKSA-N -1 1 324.348 3.132 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883382201 626667424 /nfs/dbraw/zinc/66/74/24/626667424.db2.gz BGBGYBDFZBFJDL-RDJZCZTQSA-N -1 1 316.332 3.416 20 10 DGCDMM CN1c2ccccc2N(Cc2cccc(Cl)c2[O-])CCC1=O ZINC000809786128 626953361 /nfs/dbraw/zinc/95/33/61/626953361.db2.gz QNWRQSGIJZDOOL-UHFFFAOYSA-N -1 1 316.788 3.419 20 10 DGCDMM O=C1OCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000809788414 626953871 /nfs/dbraw/zinc/95/38/71/626953871.db2.gz JUNJSZYLIVXJAS-UHFFFAOYSA-N -1 1 307.708 3.467 20 10 DGCDMM Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)ncn1 ZINC000815599548 627689952 /nfs/dbraw/zinc/68/99/52/627689952.db2.gz VRWKQVMJXBJVLB-SNVBAGLBSA-N -1 1 311.307 3.360 20 10 DGCDMM CNC(=O)Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522879 627802162 /nfs/dbraw/zinc/80/21/62/627802162.db2.gz SETTYUKAYDIRLJ-UHFFFAOYSA-N -1 1 322.767 3.085 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccn(CC(F)F)n1 ZINC000816556508 627807360 /nfs/dbraw/zinc/80/73/60/627807360.db2.gz LKDIFWIDPARTJI-UHFFFAOYSA-N -1 1 305.687 3.258 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](CO)Cc2ccccc21 ZINC000816617016 627815537 /nfs/dbraw/zinc/81/55/37/627815537.db2.gz MALGINHXYWGYKQ-LLVKDONJSA-N -1 1 321.779 3.356 20 10 DGCDMM CCN(CCc1cccs1)C(=O)c1c([O-])c(O)ccc1F ZINC000825432943 628760961 /nfs/dbraw/zinc/76/09/61/628760961.db2.gz SXRAOLIDJFZIFG-UHFFFAOYSA-N -1 1 309.362 3.003 20 10 DGCDMM Cc1cc(CNCc2cc(Cl)cc(Cl)c2[O-])nn1C ZINC000840945238 630382215 /nfs/dbraw/zinc/38/22/15/630382215.db2.gz FUQLKRFQTOLGIL-UHFFFAOYSA-N -1 1 300.189 3.031 20 10 DGCDMM Cc1oc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc1C(=O)[O-] ZINC000846260583 631217266 /nfs/dbraw/zinc/21/72/66/631217266.db2.gz HLVVVZFWDLZTLA-UHFFFAOYSA-N -1 1 316.401 3.293 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)c(C)c(C)c1O ZINC000187062160 660943837 /nfs/dbraw/zinc/94/38/37/660943837.db2.gz NTPBGQKXTFEBJN-UHFFFAOYSA-N -1 1 309.362 3.257 20 10 DGCDMM CCn1nc(C)c(NC(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000930665570 656118389 /nfs/dbraw/zinc/11/83/89/656118389.db2.gz CHXVRXNNFAGFAK-UHFFFAOYSA-N -1 1 322.796 3.201 20 10 DGCDMM CNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195068399 656208381 /nfs/dbraw/zinc/20/83/81/656208381.db2.gz HZOSIMMEUAQVHT-UHFFFAOYSA-N -1 1 308.740 3.156 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Br)cc1F ZINC000006339253 656708696 /nfs/dbraw/zinc/70/86/96/656708696.db2.gz BLWXZMMHLGQUMO-BAQGIRSFSA-N -1 1 318.192 3.077 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nc2c(s1)CCC2 ZINC000929355918 661300396 /nfs/dbraw/zinc/30/03/96/661300396.db2.gz SCIJXGYKUKBZSH-UHFFFAOYSA-N -1 1 323.805 3.313 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2Cc3c[nH]nc3[C@H](C)C2)c1[O-] ZINC000931456963 661478341 /nfs/dbraw/zinc/47/83/41/661478341.db2.gz CYOFLFYXNYNZFL-SECBINFHSA-N -1 1 319.792 3.091 20 10 DGCDMM Cc1cc([O-])c(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1Cl ZINC001600286634 1192826720 /nfs/dbraw/zinc/82/67/20/1192826720.db2.gz SYRYAAHYFBRHMF-CXAGYDPISA-N -1 1 323.820 3.431 20 10 DGCDMM Cc1cc([O-])c(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1Cl ZINC001600286634 1192826727 /nfs/dbraw/zinc/82/67/27/1192826727.db2.gz SYRYAAHYFBRHMF-CXAGYDPISA-N -1 1 323.820 3.431 20 10 DGCDMM O=C([O-])[C@@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C1CCCCC1 ZINC001601653959 1192935903 /nfs/dbraw/zinc/93/59/03/1192935903.db2.gz UXBKSGVMYZYDFY-AWEZNQCLSA-N -1 1 311.809 3.416 20 10 DGCDMM Cc1c(N)c(C(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001457038092 1182440949 /nfs/dbraw/zinc/44/09/49/1182440949.db2.gz UTLLHMQXFFABMA-UHFFFAOYSA-N -1 1 308.740 3.005 20 10 DGCDMM COCc1csc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001606867711 1193206573 /nfs/dbraw/zinc/20/65/73/1193206573.db2.gz AUFQKBSLYXBYRM-UHFFFAOYSA-N -1 1 311.790 3.184 20 10 DGCDMM CO[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001472317087 1183634377 /nfs/dbraw/zinc/63/43/77/1183634377.db2.gz UXKCCTUHUVMAGZ-HNNXBMFYSA-N -1 1 323.751 3.189 20 10 DGCDMM CC(=O)c1cc(C(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC001472317124 1183634503 /nfs/dbraw/zinc/63/45/03/1183634503.db2.gz WSRZPXPIXUPUAA-UHFFFAOYSA-N -1 1 309.774 3.240 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc2cc[nH]c21 ZINC001472316854 1183634548 /nfs/dbraw/zinc/63/45/48/1183634548.db2.gz JSFDKQFDIIWMFU-UHFFFAOYSA-N -1 1 300.745 3.457 20 10 DGCDMM Cc1cc([O-])c(C[NH2+]Cc2ccccc2CC(=O)[O-])c(Cl)c1 ZINC001607698710 1193249754 /nfs/dbraw/zinc/24/97/54/1193249754.db2.gz DSMVRKGWZYGTRA-UHFFFAOYSA-N -1 1 319.788 3.271 20 10 DGCDMM CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1noc(C)n1 ZINC001559736978 1189236190 /nfs/dbraw/zinc/23/61/90/1189236190.db2.gz SKCWPCUAFDLJBT-ZDUSSCGKSA-N -1 1 323.780 3.181 20 10 DGCDMM Cc1cc(CNC(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001563540122 1189519625 /nfs/dbraw/zinc/51/96/25/1189519625.db2.gz JGTSHPGKRSHZOC-UHFFFAOYSA-N -1 1 322.767 3.493 20 10 DGCDMM Cc1noc(-c2ccc(NCc3cc(F)cc(F)c3[O-])cn2)n1 ZINC001621344516 1193831334 /nfs/dbraw/zinc/83/13/34/1193831334.db2.gz RJGKWVJWDOKBBV-UHFFFAOYSA-N -1 1 318.283 3.036 20 10 DGCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)c([O-])c1 ZINC001624322543 1193992537 /nfs/dbraw/zinc/99/25/37/1193992537.db2.gz YDMANOQUVYHVQN-UHFFFAOYSA-N -1 1 314.360 3.062 20 10 DGCDMM CCOc1ccc(CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001637227043 1194657970 /nfs/dbraw/zinc/65/79/70/1194657970.db2.gz KPKYHMLCLATBRJ-UHFFFAOYSA-N -1 1 319.788 3.303 20 10 DGCDMM O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1c(F)ccc(O)c1[O-] ZINC001651177172 1195423411 /nfs/dbraw/zinc/42/34/11/1195423411.db2.gz MRXCKQVGWGDIHK-GFCCVEGCSA-N -1 1 321.735 3.308 20 10 DGCDMM CC1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])c2ccccc21 ZINC001654412478 1195801544 /nfs/dbraw/zinc/80/15/44/1195801544.db2.gz QAEKKAGGVSBQSK-CYBMUJFWSA-N -1 1 315.344 3.389 20 10 DGCDMM CC(=O)NCc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001655803814 1195965154 /nfs/dbraw/zinc/96/51/54/1195965154.db2.gz OFSXZFKLGDJWDB-UHFFFAOYSA-N -1 1 322.767 3.433 20 10 DGCDMM CCc1nc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC001656519848 1196046979 /nfs/dbraw/zinc/04/69/79/1196046979.db2.gz GDIFMEIGYSBZDP-SECBINFHSA-N -1 1 307.375 3.170 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(-c2nc[nH]n2)c1 ZINC001657498594 1196148495 /nfs/dbraw/zinc/14/84/95/1196148495.db2.gz MDVWCLMVPXXXJP-UHFFFAOYSA-N -1 1 302.284 3.068 20 10 DGCDMM COc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001658127121 1196214447 /nfs/dbraw/zinc/21/44/47/1196214447.db2.gz PAWCPGZIQCMNAK-UHFFFAOYSA-N -1 1 306.749 3.376 20 10 DGCDMM O=C1CCN(Cc2cc(F)cc(F)c2[O-])c2ccc(F)cc2N1 ZINC001659360242 1196374626 /nfs/dbraw/zinc/37/46/26/1196374626.db2.gz ODBKWSCDHHIIQL-UHFFFAOYSA-N -1 1 322.286 3.158 20 10 DGCDMM C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2[O-] ZINC001589291460 953604216 /nfs/dbraw/zinc/60/42/16/953604216.db2.gz IVFRCODADDSPPC-PGHLRGPGSA-N -1 1 307.365 3.313 20 10 DGCDMM C[C@H](NCc1cc(F)cnc1Cl)c1cc(C(=O)[O-])ccc1O ZINC001593291610 994669177 /nfs/dbraw/zinc/66/91/77/994669177.db2.gz AGDUJDXGRWEQQO-QMMMGPOBSA-N -1 1 324.739 3.129 20 10 DGCDMM C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cc(C(=O)[O-])co1 ZINC001593304689 994752912 /nfs/dbraw/zinc/75/29/12/994752912.db2.gz PHVYVORBRPDPNU-GFCCVEGCSA-N -1 1 314.385 3.211 20 10 DGCDMM C[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H]1F ZINC001594422728 999575615 /nfs/dbraw/zinc/57/56/15/999575615.db2.gz IQVCOBSOOIDZHT-IINYFYTJSA-N -1 1 322.355 3.196 20 10 DGCDMM Cc1cncc2cccc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001170314948 1082344974 /nfs/dbraw/zinc/34/49/74/1082344974.db2.gz MMTCZTKWEDCELY-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM CSc1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1C ZINC001170320641 1082345084 /nfs/dbraw/zinc/34/50/84/1082345084.db2.gz GNNHSYWERDGEDT-UHFFFAOYSA-N -1 1 303.383 3.423 20 10 DGCDMM Cc1cc(OC(C)C)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170322989 1082346493 /nfs/dbraw/zinc/34/64/93/1082346493.db2.gz RIKSIFAHYPZORF-UHFFFAOYSA-N -1 1 315.369 3.488 20 10 DGCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)ccc1Cl ZINC001185521735 1084462679 /nfs/dbraw/zinc/46/26/79/1084462679.db2.gz YMAKCYOQCVBDHT-UHFFFAOYSA-N -1 1 315.753 3.294 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cc2cc[nH]c2cn1 ZINC001625969860 1087035708 /nfs/dbraw/zinc/03/57/08/1087035708.db2.gz VIHHICPTBAIHQO-UHFFFAOYSA-N -1 1 316.748 3.244 20 10 DGCDMM CC(=O)c1ccc2c(c1)CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142527155 1087277849 /nfs/dbraw/zinc/27/78/49/1087277849.db2.gz MLWACVLNCRKFGG-UHFFFAOYSA-N -1 1 317.335 3.431 20 10 DGCDMM O=C(/C=C/COc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001159041507 1088155249 /nfs/dbraw/zinc/15/52/49/1088155249.db2.gz PXQMTTOBJGSLOZ-BJMVGYQFSA-N -1 1 317.772 3.297 20 10 DGCDMM CCCN(CC(=O)OCC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237085080 1090284347 /nfs/dbraw/zinc/28/43/47/1090284347.db2.gz VAPYAZVERGDSHE-UHFFFAOYSA-N -1 1 320.216 3.474 20 10 DGCDMM CCCc1nc(C)c(C(=O)[N-]c2c3nonc3ccc2Cl)o1 ZINC001117943532 1091133430 /nfs/dbraw/zinc/13/34/30/1091133430.db2.gz DOTJJKSTHVHDEH-UHFFFAOYSA-N -1 1 320.736 3.377 20 10 DGCDMM CN(Cc1ccccc1O)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001294680622 1091428734 /nfs/dbraw/zinc/42/87/34/1091428734.db2.gz YITIMFPCWJQXOB-UHFFFAOYSA-N -1 1 323.348 3.229 20 10 DGCDMM C[C@H]1C(=O)Nc2ccccc2CN1Cc1cc(F)c(F)cc1[O-] ZINC001207198873 1091885531 /nfs/dbraw/zinc/88/55/31/1091885531.db2.gz XIVNOUAILJXMTK-JTQLQIEISA-N -1 1 318.323 3.013 20 10 DGCDMM C[C@H](CC(F)(F)F)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001121916111 1094825315 /nfs/dbraw/zinc/82/53/15/1094825315.db2.gz PXWAOIASEOYIMM-SSDOTTSWSA-N -1 1 310.703 3.186 20 10 DGCDMM CC(C)(CNC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001339784626 1095729445 /nfs/dbraw/zinc/72/94/45/1095729445.db2.gz LRNTXJHZGYHPAU-UHFFFAOYSA-N -1 1 324.730 3.433 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001137840394 1095758833 /nfs/dbraw/zinc/75/88/33/1095758833.db2.gz ZGADRCFMFABUTF-QGZVFWFLSA-N -1 1 323.314 3.383 20 10 DGCDMM O=C([O-])c1ccc(CN2CCc3ccc(Cl)cc3C2)c(O)c1 ZINC001231447268 1097752510 /nfs/dbraw/zinc/75/25/10/1097752510.db2.gz QTHGORJORNMYCV-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001231565832 1097780720 /nfs/dbraw/zinc/78/07/20/1097780720.db2.gz KYHJRAUPQSCDLZ-OKILXGFUSA-N -1 1 309.365 3.177 20 10 DGCDMM [O-]c1c(CN2CC[C@@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077426 1098221201 /nfs/dbraw/zinc/22/12/01/1098221201.db2.gz NFQMQHHYACELAJ-OAHLLOKOSA-N -1 1 319.351 3.462 20 10 DGCDMM C[C@@H]1C(=O)CCN(Cc2ccc(F)c(F)c2[O-])C12CCCC2 ZINC001233079807 1098221241 /nfs/dbraw/zinc/22/12/41/1098221241.db2.gz LDAHLKGWCNEYAJ-LLVKDONJSA-N -1 1 309.356 3.394 20 10 DGCDMM CC[C@@]12C[C@@H](CO1)N(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233419410 1098324643 /nfs/dbraw/zinc/32/46/43/1098324643.db2.gz WXCCSPYLGNOPSY-FZMZJTMJSA-N -1 1 301.308 3.164 20 10 DGCDMM [O-]c1c(CN2CCOC[C@@H]2C2CC2)cccc1C(F)(F)F ZINC001233419483 1098326392 /nfs/dbraw/zinc/32/63/92/1098326392.db2.gz ZMOIEQLJDVEFQB-CYBMUJFWSA-N -1 1 301.308 3.022 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cnc2ccccn21 ZINC001234473407 1098564068 /nfs/dbraw/zinc/56/40/68/1098564068.db2.gz GIXQGWHYQWNBKG-LLVKDONJSA-N -1 1 312.325 3.088 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001234475664 1098564981 /nfs/dbraw/zinc/56/49/81/1098564981.db2.gz ICFXCQYTPSFJAR-SNVBAGLBSA-N -1 1 317.297 3.349 20 10 DGCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001235305571 1098952475 /nfs/dbraw/zinc/95/24/75/1098952475.db2.gz NZMDUOZWYDREBH-PELKAZGASA-N -1 1 300.171 3.278 20 10 DGCDMM COc1cc([O-])c(CN2Cc3cnc(C)cc3C2)c(Cl)c1 ZINC001236800676 1099793149 /nfs/dbraw/zinc/79/31/49/1099793149.db2.gz ASXVFTBIUXKVJD-UHFFFAOYSA-N -1 1 304.777 3.273 20 10 DGCDMM COc1ccc(CN2CC3(C2)CC(F)(F)C3)c([O-])c1Cl ZINC001236804352 1099797883 /nfs/dbraw/zinc/79/78/83/1099797883.db2.gz YHIPFMBIJGPGMB-UHFFFAOYSA-N -1 1 303.736 3.285 20 10 DGCDMM COc1ccc(CN2CCC[C@@H]2c2cnccn2)c([O-])c1Cl ZINC001236805594 1099800602 /nfs/dbraw/zinc/80/06/02/1099800602.db2.gz AOXLHKZCLMJVPP-CYBMUJFWSA-N -1 1 319.792 3.181 20 10 DGCDMM CCCCN(CC(=O)OCC)Cc1c([O-])ccc(F)c1Cl ZINC001237127465 1099985127 /nfs/dbraw/zinc/98/51/27/1099985127.db2.gz BDFOTMAUXXMLTA-UHFFFAOYSA-N -1 1 317.788 3.350 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOC[C@@H]1c1cccnc1 ZINC001237941178 1100300013 /nfs/dbraw/zinc/30/00/13/1100300013.db2.gz QZPGEAHCMFMPBS-OAHLLOKOSA-N -1 1 322.767 3.153 20 10 DGCDMM Cc1cccc2nc(NC(=O)c3cc(O)c([O-])c(Cl)c3)[nH]c21 ZINC001193589316 1100767446 /nfs/dbraw/zinc/76/74/46/1100767446.db2.gz IIEQTPQPCYCZKP-UHFFFAOYSA-N -1 1 317.732 3.188 20 10 DGCDMM Cc1nn(C)c2ncc(NCc3cc(Cl)cc(F)c3[O-])cc12 ZINC001201714622 1102698260 /nfs/dbraw/zinc/69/82/60/1102698260.db2.gz QFVSSVHACXSGLD-UHFFFAOYSA-N -1 1 320.755 3.387 20 10 DGCDMM O=S(=O)(CC(F)(F)F)[N-]c1cc(Cl)c(O)cc1Cl ZINC001253188888 1105900160 /nfs/dbraw/zinc/90/01/60/1105900160.db2.gz MCLLBISBEGIRKD-UHFFFAOYSA-N -1 1 324.107 3.003 20 10 DGCDMM O=C1NCCc2c(NCc3c([O-])ccc(Cl)c3F)cccc21 ZINC001308435104 1111428940 /nfs/dbraw/zinc/42/89/40/1111428940.db2.gz GLGJLBGVNQBAKX-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ncnn1C ZINC000276634590 296150321 /nfs/dbraw/zinc/15/03/21/296150321.db2.gz OBZRRQHXPMKTBH-JGVFFNPUSA-N -1 1 315.204 3.239 20 10 DGCDMM COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000273610916 130144078 /nfs/dbraw/zinc/14/40/78/130144078.db2.gz VTVFBHRIDKKGAY-SMDDNHRTSA-N -1 1 320.345 3.240 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccc(OCCCO)cc1 ZINC000289532342 131393410 /nfs/dbraw/zinc/39/34/10/131393410.db2.gz HRMRDUIJQSXXCJ-UHFFFAOYSA-N -1 1 307.777 3.419 20 10 DGCDMM COc1cc(Cl)cc(C[N@@H+](C)Cc2cnc(C)s2)c1O ZINC000184682429 432421269 /nfs/dbraw/zinc/42/12/69/432421269.db2.gz UKBICYUQKVGPOP-UHFFFAOYSA-N -1 1 312.822 3.451 20 10 DGCDMM CC(C)c1nnc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276851343 432826860 /nfs/dbraw/zinc/82/68/60/432826860.db2.gz BCRCNFGYIYTVNG-RKDXNWHRSA-N -1 1 310.348 3.324 20 10 DGCDMM CC(C)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277626615 432864730 /nfs/dbraw/zinc/86/47/30/432864730.db2.gz WUKAGRUSGOAHMT-UHFFFAOYSA-N -1 1 300.196 3.207 20 10 DGCDMM CC(C)c1noc(NCc2cccc(Br)c2[O-])n1 ZINC000181857299 519906424 /nfs/dbraw/zinc/90/64/24/519906424.db2.gz KPKOXLMIYQZQMP-UHFFFAOYSA-N -1 1 312.167 3.273 20 10 DGCDMM O=C([O-])C[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739796485 574912645 /nfs/dbraw/zinc/91/26/45/574912645.db2.gz GVSDQMYDXDDNDL-UHFFFAOYSA-N -1 1 323.751 3.272 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739796485 574912647 /nfs/dbraw/zinc/91/26/47/574912647.db2.gz GVSDQMYDXDDNDL-UHFFFAOYSA-N -1 1 323.751 3.272 20 10 DGCDMM CC(/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)=C/c1ccccc1 ZINC000728696740 576195539 /nfs/dbraw/zinc/19/55/39/576195539.db2.gz BPZSSABPRQNAQV-XSZMWJROSA-N -1 1 304.349 3.094 20 10 DGCDMM O=C(CCC1CCCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590450 620637417 /nfs/dbraw/zinc/63/74/17/620637417.db2.gz BKCSBIOPYXLLKW-UHFFFAOYSA-N -1 1 306.358 3.184 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000853576928 620711876 /nfs/dbraw/zinc/71/18/76/620711876.db2.gz GXWAYFPZTYFNND-GJZGRUSLSA-N -1 1 323.392 3.171 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000853576928 620711877 /nfs/dbraw/zinc/71/18/77/620711877.db2.gz GXWAYFPZTYFNND-GJZGRUSLSA-N -1 1 323.392 3.171 20 10 DGCDMM CC[C@H](N[C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1[O-] ZINC000806161955 617632299 /nfs/dbraw/zinc/63/22/99/617632299.db2.gz PSUSJKMNNIKJIK-ZANVPECISA-N -1 1 321.812 3.169 20 10 DGCDMM COCC1(C(=O)NCc2cccc(Cl)c2[O-])CCCCC1 ZINC000890760962 617657041 /nfs/dbraw/zinc/65/70/41/617657041.db2.gz GRQSSRFTKIHJNL-UHFFFAOYSA-N -1 1 311.809 3.259 20 10 DGCDMM C[C@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760586 617657285 /nfs/dbraw/zinc/65/72/85/617657285.db2.gz UHXYNRHSPYHXGA-FZMZJTMJSA-N -1 1 311.809 3.257 20 10 DGCDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CCS1 ZINC000896706558 618946808 /nfs/dbraw/zinc/94/68/08/618946808.db2.gz VDSBEXCLHRFPBY-KOLCDFICSA-N -1 1 314.838 3.129 20 10 DGCDMM COC(C)(C)c1nsc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000905418561 619996242 /nfs/dbraw/zinc/99/62/42/619996242.db2.gz HPXQWGDLFSDOPQ-UHFFFAOYSA-N -1 1 315.345 3.016 20 10 DGCDMM CC(C)Cc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000755701912 621586805 /nfs/dbraw/zinc/58/68/05/621586805.db2.gz YYADFYHCRXJBBA-QGOAFFKASA-N -1 1 320.392 3.347 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+](C2CC2)C2CC2)c1[O-] ZINC000863304325 621661838 /nfs/dbraw/zinc/66/18/38/621661838.db2.gz XJMBQMRRKHLYAL-UHFFFAOYSA-N -1 1 323.392 3.456 20 10 DGCDMM C[C@@H]1C[C@H]1c1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000865295621 621892140 /nfs/dbraw/zinc/89/21/40/621892140.db2.gz IZVKXIFFVOQPST-VXNVDRBHSA-N -1 1 324.178 3.273 20 10 DGCDMM Cn1ncc(NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000769926666 622577595 /nfs/dbraw/zinc/57/75/95/622577595.db2.gz YEENWRODAOJKSK-UHFFFAOYSA-N -1 1 322.206 3.378 20 10 DGCDMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])Sc1ccccc1 ZINC000789987040 625591736 /nfs/dbraw/zinc/59/17/36/625591736.db2.gz PTIXDTCYYMMNHF-JTQLQIEISA-N -1 1 321.373 3.148 20 10 DGCDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775362619 623260556 /nfs/dbraw/zinc/26/05/56/623260556.db2.gz IZVSOGJNZGNVTA-LBPRGKRZSA-N -1 1 315.373 3.217 20 10 DGCDMM CNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000775750723 623325030 /nfs/dbraw/zinc/32/50/30/623325030.db2.gz SYOAMJBNECVAMU-UHFFFAOYSA-N -1 1 308.740 3.156 20 10 DGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000790416109 625651059 /nfs/dbraw/zinc/65/10/59/625651059.db2.gz QFAMIDWJIFFIMP-UHFFFAOYSA-N -1 1 323.439 3.477 20 10 DGCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCCCC1 ZINC000784463476 624528808 /nfs/dbraw/zinc/52/88/08/624528808.db2.gz AXSTYEPDDLAXLG-UHFFFAOYSA-N -1 1 320.385 3.430 20 10 DGCDMM CNC(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1C ZINC000790950810 625722274 /nfs/dbraw/zinc/72/22/74/625722274.db2.gz FNPWHGVBDSLKQE-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1[O-] ZINC000791560426 625824209 /nfs/dbraw/zinc/82/42/09/625824209.db2.gz VYBPPLHZWBLOOR-MGPLVRAMSA-N -1 1 323.820 3.248 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(N2CCCC2)nc1 ZINC000883071910 625916430 /nfs/dbraw/zinc/91/64/30/625916430.db2.gz QWWOAHJMCLKCPO-UHFFFAOYSA-N -1 1 305.328 3.278 20 10 DGCDMM Cc1ccsc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115427 626794257 /nfs/dbraw/zinc/79/42/57/626794257.db2.gz CMHSSVYIORBZAF-UHFFFAOYSA-N -1 1 321.782 3.355 20 10 DGCDMM C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1c(O)cccc1F ZINC000886641244 627178485 /nfs/dbraw/zinc/17/84/85/627178485.db2.gz DMCLSEIDKWFIFX-MRVPVSSYSA-N -1 1 317.286 3.134 20 10 DGCDMM Cc1nn(C)c2ncc(NCc3cc(Cl)c(F)cc3[O-])cc12 ZINC000816566162 627809180 /nfs/dbraw/zinc/80/91/80/627809180.db2.gz MPLNDTHGBSZBPZ-UHFFFAOYSA-N -1 1 320.755 3.387 20 10 DGCDMM CCOc1ccc(O)c(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000833662362 629637697 /nfs/dbraw/zinc/63/76/97/629637697.db2.gz CQOVRWKWSRVRLF-UHFFFAOYSA-N -1 1 319.357 3.023 20 10 DGCDMM CCC[C@@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837831619 630316688 /nfs/dbraw/zinc/31/66/88/630316688.db2.gz HBPPCLHANMBNBA-YPMHNXCESA-N -1 1 306.358 3.040 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@](C)(C3CC3)C2)c1[O-] ZINC000852322404 632586284 /nfs/dbraw/zinc/58/62/84/632586284.db2.gz IULQPQGIYCHOIY-KRWDZBQOSA-N -1 1 323.820 3.249 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nnc(C2CC2)s1 ZINC000929230578 660435889 /nfs/dbraw/zinc/43/58/89/660435889.db2.gz XEAFELOMHYNDJN-UHFFFAOYSA-N -1 1 324.793 3.096 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2c(C)noc2C)c1[O-] ZINC000177252858 655918478 /nfs/dbraw/zinc/91/84/78/655918478.db2.gz OFYCNJSCNLSVLG-UHFFFAOYSA-N -1 1 322.792 3.485 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OC(F)F)c(Cl)c1 ZINC000171764702 659297903 /nfs/dbraw/zinc/29/79/03/659297903.db2.gz BDJTXVPNPJGXJE-XBXARRHUSA-N -1 1 321.757 3.430 20 10 DGCDMM CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000048915886 661897303 /nfs/dbraw/zinc/89/73/03/661897303.db2.gz PHOSUMITCAMHFP-HZMBPMFUSA-N -1 1 311.809 3.248 20 10 DGCDMM CCc1nn(C)cc1NCc1cccc(Br)c1[O-] ZINC000091070077 662291973 /nfs/dbraw/zinc/29/19/73/662291973.db2.gz RJVBFZHFTUKFPD-UHFFFAOYSA-N -1 1 310.195 3.063 20 10 DGCDMM CC(C)c1nc(NCc2cccc(Cl)c2[O-])nc(N(C)C)n1 ZINC000897392340 685311150 /nfs/dbraw/zinc/31/11/50/685311150.db2.gz YAFBFZRGHFSATO-UHFFFAOYSA-N -1 1 321.812 3.032 20 10 DGCDMM Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)oc1C(=O)[O-] ZINC001600203887 1192805565 /nfs/dbraw/zinc/80/55/65/1192805565.db2.gz YIVRBSXPGWTHKM-LBPRGKRZSA-N -1 1 302.374 3.203 20 10 DGCDMM Cc1cc([O-])c(C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC001600285748 1192827431 /nfs/dbraw/zinc/82/74/31/1192827431.db2.gz GRCLKIIVSXSGSM-UHFFFAOYSA-N -1 1 305.761 3.342 20 10 DGCDMM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001601817642 1192947009 /nfs/dbraw/zinc/94/70/09/1192947009.db2.gz VZGKOPOPNADEMC-LBPRGKRZSA-N -1 1 301.745 3.014 20 10 DGCDMM O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001602421683 1192978796 /nfs/dbraw/zinc/97/87/96/1192978796.db2.gz KFSCDNLGNYKAAO-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM C[C@H](C(=O)[O-])c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC001603222241 1193011740 /nfs/dbraw/zinc/01/17/40/1193011740.db2.gz XVQINTSGZBMHER-VIFPVBQESA-N -1 1 307.296 3.471 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCC[C@H](F)C1 ZINC001357162283 1181362985 /nfs/dbraw/zinc/36/29/85/1181362985.db2.gz SORZIVOWBUUNRD-WDEREUQCSA-N -1 1 300.761 3.126 20 10 DGCDMM CCCN(Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccsc1 ZINC001605320956 1193142801 /nfs/dbraw/zinc/14/28/01/1193142801.db2.gz XDBBXFXQOMEZSX-OAHLLOKOSA-N -1 1 305.399 3.492 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2ccccn2c1 ZINC001457037201 1182440616 /nfs/dbraw/zinc/44/06/16/1182440616.db2.gz JTSQFCSNXRASIZ-UHFFFAOYSA-N -1 1 300.745 3.228 20 10 DGCDMM COc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001457038545 1182441195 /nfs/dbraw/zinc/44/11/95/1182441195.db2.gz WQGPVXNCNIIDHX-UHFFFAOYSA-N -1 1 309.724 3.123 20 10 DGCDMM COC1(c2ccccc2)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001462205153 1182924081 /nfs/dbraw/zinc/92/40/81/1182924081.db2.gz DNPFPHIIYNBPGC-UHFFFAOYSA-N -1 1 305.324 3.028 20 10 DGCDMM CCOc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001606860825 1193206562 /nfs/dbraw/zinc/20/65/62/1193206562.db2.gz VOHNMZSZXQIDTK-UHFFFAOYSA-N -1 1 305.761 3.374 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1Cc2ccccc2S1 ZINC001606860508 1193206646 /nfs/dbraw/zinc/20/66/46/1193206646.db2.gz OGDDXVZMDLHVRO-AWEZNQCLSA-N -1 1 319.813 3.379 20 10 DGCDMM CCN(CC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001472316620 1183634273 /nfs/dbraw/zinc/63/42/73/1183634273.db2.gz ZVLDBIYXKKNIFJ-UHFFFAOYSA-N -1 1 318.804 3.188 20 10 DGCDMM Cn1cnc(-c2cccc(NCc3cc(F)cc(F)c3[O-])c2)n1 ZINC001474254150 1183890457 /nfs/dbraw/zinc/89/04/57/1183890457.db2.gz XFCBAWDVXHZKKO-UHFFFAOYSA-N -1 1 316.311 3.078 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc([N+](=O)[O-])c1 ZINC001475937586 1184023202 /nfs/dbraw/zinc/02/32/02/1184023202.db2.gz MODJZBWAEVBRTN-UHFFFAOYSA-N -1 1 321.720 3.276 20 10 DGCDMM O=C([O-])[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1F ZINC001608548387 1193292608 /nfs/dbraw/zinc/29/26/08/1193292608.db2.gz MJUNYYFQXYROFW-CQSZACIVSA-N -1 1 309.724 3.100 20 10 DGCDMM O=C(Nc1cccc(N2CCCC2)c1)c1cccc([O-])c1F ZINC001542115731 1188276783 /nfs/dbraw/zinc/27/67/83/1188276783.db2.gz IQRPZNXWBBQTAV-UHFFFAOYSA-N -1 1 300.333 3.384 20 10 DGCDMM O=C(Cc1c[nH]c2ccccc12)NCc1cccc(Cl)c1[O-] ZINC001558757067 1189146637 /nfs/dbraw/zinc/14/66/37/1189146637.db2.gz NRVNDFZNXVPYNV-UHFFFAOYSA-N -1 1 314.772 3.386 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccc(C(F)(F)F)nn1 ZINC001640520498 1194817910 /nfs/dbraw/zinc/81/79/10/1194817910.db2.gz BVNAAFJZHMYMPY-UHFFFAOYSA-N -1 1 303.671 3.467 20 10 DGCDMM Cc1cc(C)cc(CN(C)C(=O)c2c([O-])c(O)ccc2F)c1 ZINC001641530381 1194859258 /nfs/dbraw/zinc/85/92/58/1194859258.db2.gz ZOXDRIAFSCUSAJ-UHFFFAOYSA-N -1 1 303.333 3.126 20 10 DGCDMM Cc1ncccc1/C=C\C(=O)NCc1cccc(Cl)c1[O-] ZINC001648605914 1195313330 /nfs/dbraw/zinc/31/33/30/1195313330.db2.gz DTDQKMJYGZKISV-FPLPWBNLSA-N -1 1 302.761 3.079 20 10 DGCDMM C/C(=C/c1ccccc1)CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC001648710770 1195324760 /nfs/dbraw/zinc/32/47/60/1195324760.db2.gz QJZXOAUEKXPISG-BENRWUELSA-N -1 1 315.344 3.412 20 10 DGCDMM Cc1ccc(C(=O)N(C)C)cc1NCc1cc(F)cc(F)c1[O-] ZINC001650727938 1195375734 /nfs/dbraw/zinc/37/57/34/1195375734.db2.gz YDBJHAMOFXYTSY-UHFFFAOYSA-N -1 1 320.339 3.293 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001650978459 1195400733 /nfs/dbraw/zinc/40/07/33/1195400733.db2.gz COOXBYKPGNKAPQ-LLVKDONJSA-N -1 1 319.307 3.006 20 10 DGCDMM Cc1[nH]nc2ncc(NCc3cc(Cl)cc(F)c3[O-])cc12 ZINC001651706341 1195500246 /nfs/dbraw/zinc/50/02/46/1195500246.db2.gz PUAWBQSZTDUOSO-UHFFFAOYSA-N -1 1 306.728 3.377 20 10 DGCDMM C[S@](=O)Cc1ccccc1NCc1cc(F)cc(F)c1[O-] ZINC001662150408 1196686815 /nfs/dbraw/zinc/68/68/15/1196686815.db2.gz QRKRNAIPHJYBSB-NRFANRHFSA-N -1 1 311.353 3.161 20 10 DGCDMM Cc1noc([C@H]2CCCCN2Cc2cc(F)c(F)cc2[O-])n1 ZINC001664664791 1197029675 /nfs/dbraw/zinc/02/96/75/1197029675.db2.gz ZNANIOQDZHVUEK-CYBMUJFWSA-N -1 1 309.316 3.089 20 10 DGCDMM CCc1ncsc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001670081096 1197519660 /nfs/dbraw/zinc/51/96/60/1197519660.db2.gz QUBXLMQFNIIIJE-UHFFFAOYSA-N -1 1 311.794 3.386 20 10 DGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000315292005 1199804271 /nfs/dbraw/zinc/80/42/71/1199804271.db2.gz PXDYLFQLYKKHET-UHFFFAOYSA-N -1 1 314.366 3.050 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)cc1C ZINC000242989059 1203581077 /nfs/dbraw/zinc/58/10/77/1203581077.db2.gz HSWJLEBOKDSZKN-UHFFFAOYSA-N -1 1 304.415 3.170 20 10 DGCDMM C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2[O-] ZINC001589291459 953603933 /nfs/dbraw/zinc/60/39/33/953603933.db2.gz IVFRCODADDSPPC-HHISKICNSA-N -1 1 307.365 3.313 20 10 DGCDMM Cc1cccc([C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C(=O)[O-])c1 ZINC001605328765 973188138 /nfs/dbraw/zinc/18/81/38/973188138.db2.gz DCVWXLXGLQICIP-OAHLLOKOSA-N -1 1 305.761 3.270 20 10 DGCDMM CCCOc1ccc(NCC(=O)c2ccc([O-])c(O)c2)c(F)c1 ZINC001170321315 1082344729 /nfs/dbraw/zinc/34/47/29/1082344729.db2.gz ZQAMDLPSLASHGL-UHFFFAOYSA-N -1 1 319.332 3.321 20 10 DGCDMM CCOc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC001170315162 1082345607 /nfs/dbraw/zinc/34/56/07/1082345607.db2.gz QYEDWISNLWWHND-UHFFFAOYSA-N -1 1 301.342 3.100 20 10 DGCDMM CO[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708135154 1082614720 /nfs/dbraw/zinc/61/47/20/1082614720.db2.gz WRCOXPLFRYXPLO-JTQLQIEISA-N -1 1 320.614 3.029 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1c(F)cccc1Br ZINC000588615049 1082852027 /nfs/dbraw/zinc/85/20/27/1082852027.db2.gz SNFNVGMTIBDNMH-XBXARRHUSA-N -1 1 318.192 3.077 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001142527274 1087278236 /nfs/dbraw/zinc/27/82/36/1087278236.db2.gz QYZPTXJYALRYJW-HNNXBMFYSA-N -1 1 319.351 3.114 20 10 DGCDMM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159033450 1088153060 /nfs/dbraw/zinc/15/30/60/1088153060.db2.gz IVLCZCOFWKFJEN-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM O=C(CNc1cc(-c2ccccc2)ccn1)c1ccc([O-])c(O)c1 ZINC001159277717 1088265409 /nfs/dbraw/zinc/26/54/09/1088265409.db2.gz WOJSQOKJQVBSSV-UHFFFAOYSA-N -1 1 320.348 3.455 20 10 DGCDMM O=C(c1ccccc1)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585489 1091921624 /nfs/dbraw/zinc/92/16/24/1091921624.db2.gz KJIIMWKAXNQTCP-CYBMUJFWSA-N -1 1 317.335 3.375 20 10 DGCDMM [O-]c1cc(F)cc(F)c1CN1CCOC[C@@H]1C1CCCCC1 ZINC001140585303 1091921741 /nfs/dbraw/zinc/92/17/41/1091921741.db2.gz DOKOTBHCRNDULM-MRXNPFEDSA-N -1 1 311.372 3.452 20 10 DGCDMM Cc1nc([C@H]2CCCCN2Cc2cc(F)c(F)cc2[O-])no1 ZINC001142524852 1092493374 /nfs/dbraw/zinc/49/33/74/1092493374.db2.gz NIZWXNMKWSYJMM-CYBMUJFWSA-N -1 1 309.316 3.089 20 10 DGCDMM CC(C)[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228115209 1097054407 /nfs/dbraw/zinc/05/44/07/1097054407.db2.gz MNJFLGKGNVAMLQ-NSHDSACASA-N -1 1 316.353 3.458 20 10 DGCDMM [O-]c1cc(O)c(CN2CC[C@H](CF)C(F)(F)C2)cc1Cl ZINC001232260994 1097985329 /nfs/dbraw/zinc/98/53/29/1097985329.db2.gz USGYGIWNMRTKJS-SECBINFHSA-N -1 1 309.715 3.178 20 10 DGCDMM CN1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001233074726 1098219050 /nfs/dbraw/zinc/21/90/50/1098219050.db2.gz UXZLANRKOCLWMP-MRXNPFEDSA-N -1 1 318.367 3.159 20 10 DGCDMM COc1cccc2c1CN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233073797 1098219813 /nfs/dbraw/zinc/21/98/13/1098219813.db2.gz CRCADZUPFVWHPJ-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM Cc1nc([C@@H]2CCCCN2Cc2c([O-])ccc(F)c2F)no1 ZINC001233334338 1098291726 /nfs/dbraw/zinc/29/17/26/1098291726.db2.gz CCJPHEIRYPCXEF-LBPRGKRZSA-N -1 1 309.316 3.089 20 10 DGCDMM COc1ccc2c(c1)CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332169 1098292563 /nfs/dbraw/zinc/29/25/63/1098292563.db2.gz BBZUQZOQQIFKIC-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001233335860 1098293164 /nfs/dbraw/zinc/29/31/64/1098293164.db2.gz ORONGBSNHHRHMY-AWEZNQCLSA-N -1 1 319.351 3.114 20 10 DGCDMM CC(=O)[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419009 1098325279 /nfs/dbraw/zinc/32/52/79/1098325279.db2.gz FUNJSTQXYCEBIB-CYBMUJFWSA-N -1 1 301.308 3.355 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](CCC)C(=O)OCC ZINC001233497516 1098351956 /nfs/dbraw/zinc/35/19/56/1098351956.db2.gz OEOLPVIMWDSMSO-OAHLLOKOSA-N -1 1 324.373 3.191 20 10 DGCDMM COc1cccc([C@@H](C)Oc2cc([O-])c(O)cc2C(C)=O)c1 ZINC001234473062 1098564327 /nfs/dbraw/zinc/56/43/27/1098564327.db2.gz AZPJTWPPHKFPKI-LLVKDONJSA-N -1 1 302.326 3.449 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@H](C)OCc1ccccc1 ZINC001234476069 1098564580 /nfs/dbraw/zinc/56/45/80/1098564580.db2.gz KHRNTYXGZXSPHT-LBPRGKRZSA-N -1 1 316.353 3.285 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)COc1cccc(C)c1 ZINC001234476725 1098566359 /nfs/dbraw/zinc/56/63/59/1098566359.db2.gz OQLUKTCRUGYTQK-LBPRGKRZSA-N -1 1 316.353 3.455 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C(C)=O)c1ccccc1 ZINC001234476889 1098566429 /nfs/dbraw/zinc/56/64/29/1098566429.db2.gz PMJLIWDBYBTNSC-KRWDZBQOSA-N -1 1 300.310 3.010 20 10 DGCDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1C(=O)N(C)C ZINC001178072418 1098711060 /nfs/dbraw/zinc/71/10/60/1098711060.db2.gz DUHVUIATBNXWJA-UHFFFAOYSA-N -1 1 320.339 3.293 20 10 DGCDMM O=C1NCCc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC001179135268 1099024450 /nfs/dbraw/zinc/02/44/50/1099024450.db2.gz LLORDUZCJHGWIF-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM COc1ccc(CC(=O)NCc2cccc(Cl)c2[O-])c(C)c1 ZINC001180420803 1099415925 /nfs/dbraw/zinc/41/59/25/1099415925.db2.gz PCOBONHASJGXER-UHFFFAOYSA-N -1 1 319.788 3.222 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(F)ccnc1Cl ZINC001180419624 1099415948 /nfs/dbraw/zinc/41/59/48/1099415948.db2.gz BKYPWYHOYSIIDR-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)C1CCC1 ZINC001188129936 1099691774 /nfs/dbraw/zinc/69/17/74/1099691774.db2.gz AUMAHESGLQYGRO-UHFFFAOYSA-N -1 1 315.394 3.212 20 10 DGCDMM COc1ccc(CN2CCC[C@H]2c2cnccn2)c([O-])c1Cl ZINC001236805597 1099799240 /nfs/dbraw/zinc/79/92/40/1099799240.db2.gz AOXLHKZCLMJVPP-ZDUSSCGKSA-N -1 1 319.792 3.181 20 10 DGCDMM O=C(Nc1cc(C(F)(F)F)no1)c1ccc(O)c([O-])c1Cl ZINC001193208995 1100717662 /nfs/dbraw/zinc/71/76/62/1100717662.db2.gz DREIRPARBDKYTH-UHFFFAOYSA-N -1 1 322.626 3.010 20 10 DGCDMM Cn1c(NC(=O)c2ccc(O)c([O-])c2Cl)cc2ccccc21 ZINC001193220883 1100718635 /nfs/dbraw/zinc/71/86/35/1100718635.db2.gz ZHPUPQTXVSODRI-UHFFFAOYSA-N -1 1 316.744 3.495 20 10 DGCDMM CC(=O)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)c(F)c1 ZINC001193229310 1100722177 /nfs/dbraw/zinc/72/21/77/1100722177.db2.gz HYMNWLACJZXKSB-UHFFFAOYSA-N -1 1 323.707 3.345 20 10 DGCDMM CN(CCc1cccs1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225184 1100722770 /nfs/dbraw/zinc/72/27/70/1100722770.db2.gz IZXUOKRYQAWQDA-UHFFFAOYSA-N -1 1 311.790 3.127 20 10 DGCDMM O=S(=O)(/C=C/c1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001253032601 1105880375 /nfs/dbraw/zinc/88/03/75/1105880375.db2.gz NZSFEVPAZXVNSD-CMDGGOBGSA-N -1 1 311.309 3.083 20 10 DGCDMM O=S(=O)(/C=C/c1ccccc1)Nc1c(F)cc([O-])cc1F ZINC001253047044 1105883080 /nfs/dbraw/zinc/88/30/80/1105883080.db2.gz KOZSQVMDIRGJKX-VOTSOKGWSA-N -1 1 311.309 3.083 20 10 DGCDMM CCCCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC001253843720 1105995863 /nfs/dbraw/zinc/99/58/63/1105995863.db2.gz VIOPALVBPGMHRV-UHFFFAOYSA-N -1 1 317.410 3.459 20 10 DGCDMM CCc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001255075771 1106174462 /nfs/dbraw/zinc/17/44/62/1106174462.db2.gz PJYCAVGNRCBZLP-UHFFFAOYSA-N -1 1 313.325 3.034 20 10 DGCDMM [O-]c1cccnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256941276 1106514727 /nfs/dbraw/zinc/51/47/27/1106514727.db2.gz WPRAVWDSVMFNFL-UHFFFAOYSA-N -1 1 304.309 3.295 20 10 DGCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC001259861441 1107214184 /nfs/dbraw/zinc/21/41/84/1107214184.db2.gz KOJIVVYVRKLFHN-UHFFFAOYSA-N -1 1 316.426 3.042 20 10 DGCDMM Cc1ccccc1CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC001260022491 1107239564 /nfs/dbraw/zinc/23/95/64/1107239564.db2.gz YVFQVZKBRMUGSE-UHFFFAOYSA-N -1 1 311.790 3.296 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c2ccncc12 ZINC001260085760 1107250316 /nfs/dbraw/zinc/25/03/16/1107250316.db2.gz IOMZCSTUEOCCPJ-UHFFFAOYSA-N -1 1 314.366 3.050 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])C1=Cc2ccccc2OC1 ZINC001305069333 1111192957 /nfs/dbraw/zinc/19/29/57/1111192957.db2.gz DRBQFYWSTARNMW-UHFFFAOYSA-N -1 1 315.756 3.138 20 10 DGCDMM CCc1cccc(CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001305085226 1111193196 /nfs/dbraw/zinc/19/31/96/1111193196.db2.gz UGRWIPFSJYURQC-UHFFFAOYSA-N -1 1 303.789 3.467 20 10 DGCDMM CSc1ccccc1CN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC001306836511 1111243441 /nfs/dbraw/zinc/24/34/41/1111243441.db2.gz NJRDWTBGPZLVCT-UHFFFAOYSA-N -1 1 321.373 3.231 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001308624794 1111452688 /nfs/dbraw/zinc/45/26/88/1111452688.db2.gz BZNXKJMMRXGFOW-QGZVFWFLSA-N -1 1 323.314 3.383 20 10 DGCDMM CN(Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000119699763 431713198 /nfs/dbraw/zinc/71/31/98/431713198.db2.gz BCGYGAFLIPXWCH-UHFFFAOYSA-N -1 1 300.189 3.065 20 10 DGCDMM C[C@H](NCc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1[O-] ZINC000276957873 432828227 /nfs/dbraw/zinc/82/82/27/432828227.db2.gz RLDNQDPPNULZJJ-JTQLQIEISA-N -1 1 307.344 3.054 20 10 DGCDMM CCOCc1nc([C@@H](C)N[C@H](CC)c2ccc(F)cc2[O-])no1 ZINC000290034573 432982400 /nfs/dbraw/zinc/98/24/00/432982400.db2.gz DCQVDKYKMDZPJG-ZWNOBZJWSA-N -1 1 323.368 3.253 20 10 DGCDMM CCOC(=O)c1cc(NCc2cccc(Cl)c2[O-])cn1C ZINC000290368521 433039935 /nfs/dbraw/zinc/03/99/35/433039935.db2.gz HHROXBVSXHBINT-UHFFFAOYSA-N -1 1 308.765 3.173 20 10 DGCDMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000294762134 434137473 /nfs/dbraw/zinc/13/74/73/434137473.db2.gz BHIZUIDIHLIGQF-YPMHNXCESA-N -1 1 315.344 3.255 20 10 DGCDMM Cc1ccccc1[C@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000294799472 434147402 /nfs/dbraw/zinc/14/74/02/434147402.db2.gz DXRNLTMNLUYHPL-LBPRGKRZSA-N -1 1 315.344 3.175 20 10 DGCDMM Cc1c2ccccc2n(C)c1CNC(=O)c1c([O-])cccc1F ZINC000436985693 434191287 /nfs/dbraw/zinc/19/12/87/434191287.db2.gz FODBHZAACWRMRY-UHFFFAOYSA-N -1 1 312.344 3.261 20 10 DGCDMM CC[NH+](CC)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000731869247 574561471 /nfs/dbraw/zinc/56/14/71/574561471.db2.gz DMRBIJGFRBPTIZ-ZDUSSCGKSA-N -1 1 324.471 3.328 20 10 DGCDMM CC[N@H+](CCC(=O)[O-])Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000737096066 574823449 /nfs/dbraw/zinc/82/34/49/574823449.db2.gz JRGHCYIIFCDGPA-UHFFFAOYSA-N -1 1 317.385 3.314 20 10 DGCDMM CC[N@@H+](CCC(=O)[O-])Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000737096066 574823451 /nfs/dbraw/zinc/82/34/51/574823451.db2.gz JRGHCYIIFCDGPA-UHFFFAOYSA-N -1 1 317.385 3.314 20 10 DGCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000916590774 620637411 /nfs/dbraw/zinc/63/74/11/620637411.db2.gz NVMFZHRILGMIHG-LBPRGKRZSA-N -1 1 314.337 3.018 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)ccc1O ZINC000250767699 604677128 /nfs/dbraw/zinc/67/71/28/604677128.db2.gz SZTXMRWUXIJTJZ-GDLCADMTSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000250767699 604677133 /nfs/dbraw/zinc/67/71/33/604677133.db2.gz SZTXMRWUXIJTJZ-GDLCADMTSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000250767699 604677135 /nfs/dbraw/zinc/67/71/35/604677135.db2.gz SZTXMRWUXIJTJZ-GDLCADMTSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)ccc1O ZINC000250767703 604677714 /nfs/dbraw/zinc/67/77/14/604677714.db2.gz SZTXMRWUXIJTJZ-HONMWMINSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000250767703 604677717 /nfs/dbraw/zinc/67/77/17/604677717.db2.gz SZTXMRWUXIJTJZ-HONMWMINSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000250767703 604677719 /nfs/dbraw/zinc/67/77/19/604677719.db2.gz SZTXMRWUXIJTJZ-HONMWMINSA-N -1 1 309.793 3.263 20 10 DGCDMM CO[C@H]1CCC[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759129 617656389 /nfs/dbraw/zinc/65/63/89/617656389.db2.gz DDNTWSTYTKHZMK-YPMHNXCESA-N -1 1 311.809 3.257 20 10 DGCDMM COCCC1(C(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000890759670 617656641 /nfs/dbraw/zinc/65/66/41/617656641.db2.gz GUWVCNGPJJFKNY-UHFFFAOYSA-N -1 1 311.809 3.259 20 10 DGCDMM CC(C)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890760276 617657268 /nfs/dbraw/zinc/65/72/68/617657268.db2.gz MZAHFPYSYZAXKH-UHFFFAOYSA-N -1 1 304.777 3.494 20 10 DGCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1CC(C)C ZINC000890760317 617657358 /nfs/dbraw/zinc/65/73/58/617657358.db2.gz OHTBEEMWMYXBPC-UHFFFAOYSA-N -1 1 321.808 3.137 20 10 DGCDMM O=C(CC(F)(F)C(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000890762876 617658298 /nfs/dbraw/zinc/65/82/98/617658298.db2.gz KOMGJDMUXONUND-UHFFFAOYSA-N -1 1 317.641 3.250 20 10 DGCDMM CC(C)[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890762847 617658456 /nfs/dbraw/zinc/65/84/56/617658456.db2.gz KNAWLXTTYQBSJY-FZMZJTMJSA-N -1 1 311.809 3.113 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCC1(F)F ZINC000894862312 618481900 /nfs/dbraw/zinc/48/19/00/618481900.db2.gz HBNMNFKWYWDPEP-JTQLQIEISA-N -1 1 304.724 3.033 20 10 DGCDMM CCC(C)(C)OCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895286275 618588314 /nfs/dbraw/zinc/58/83/14/618588314.db2.gz UQCMJXOKDDJPKR-UHFFFAOYSA-N -1 1 314.813 3.050 20 10 DGCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccn1 ZINC000895636711 618810737 /nfs/dbraw/zinc/81/07/37/618810737.db2.gz YRTRLJYIXBUAHB-LLVKDONJSA-N -1 1 319.792 3.044 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCC[C@@H]1F ZINC000896104331 618875011 /nfs/dbraw/zinc/87/50/11/618875011.db2.gz CEYLVJVGAFXJBP-NWDGAFQWSA-N -1 1 300.761 3.126 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898095392 619211986 /nfs/dbraw/zinc/21/19/86/619211986.db2.gz RNRSQBRISHUFSO-GFCCVEGCSA-N -1 1 307.781 3.206 20 10 DGCDMM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1C ZINC000901629581 619525626 /nfs/dbraw/zinc/52/56/26/619525626.db2.gz LOPFUQYOVIROFA-UHFFFAOYSA-N -1 1 311.428 3.488 20 10 DGCDMM CC1CCC(S(=O)(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000908326472 620201840 /nfs/dbraw/zinc/20/18/40/620201840.db2.gz BBGFDXIGRPJHHW-UHFFFAOYSA-N -1 1 317.838 3.044 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C12CCC(CC1)C2 ZINC000765745824 620599246 /nfs/dbraw/zinc/59/92/46/620599246.db2.gz AAORIDQUHOEZER-UHFFFAOYSA-N -1 1 324.218 3.351 20 10 DGCDMM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000839192467 621347786 /nfs/dbraw/zinc/34/77/86/621347786.db2.gz UAYXJCUZBGORJA-QMMMGPOBSA-N -1 1 300.189 3.283 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)OC[C@@H]2C)c1[O-] ZINC000753834269 621467631 /nfs/dbraw/zinc/46/76/31/621467631.db2.gz PEKHYLDFEDGGJE-JTQLQIEISA-N -1 1 311.809 3.248 20 10 DGCDMM NC(=O)c1ccc(F)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000863997727 621725122 /nfs/dbraw/zinc/72/51/22/621725122.db2.gz VRUYZYLPOCWHAE-UHFFFAOYSA-N -1 1 312.703 3.035 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1csc(-c2ccc(F)cc2)n1 ZINC000205609121 621979966 /nfs/dbraw/zinc/97/99/66/621979966.db2.gz ZEQSNISPSPXJDT-BJMVGYQFSA-N -1 1 322.411 3.438 20 10 DGCDMM COc1cccnc1NCc1cccc(Br)c1[O-] ZINC000763507659 622149113 /nfs/dbraw/zinc/14/91/13/622149113.db2.gz SMXXJDGXNRFXQT-UHFFFAOYSA-N -1 1 309.163 3.170 20 10 DGCDMM O=[N+]([O-])c1ccc(NCc2cccc(Br)c2[O-])cn1 ZINC000764934253 622234109 /nfs/dbraw/zinc/23/41/09/622234109.db2.gz KOCGXJWPOREVDJ-UHFFFAOYSA-N -1 1 324.134 3.070 20 10 DGCDMM O=C(C=C1CCCC1)NCc1cccc(Br)c1[O-] ZINC000765730404 622284625 /nfs/dbraw/zinc/28/46/25/622284625.db2.gz ATDSETAHECIZEV-UHFFFAOYSA-N -1 1 310.191 3.271 20 10 DGCDMM CCSc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000769741352 622556364 /nfs/dbraw/zinc/55/63/64/622556364.db2.gz SQWDYYUOOJPYIE-VBKFSLOCSA-N -1 1 324.405 3.260 20 10 DGCDMM CCOc1cccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789964281 625589171 /nfs/dbraw/zinc/58/91/71/625589171.db2.gz VCRRGCXTURPJHL-SNVBAGLBSA-N -1 1 319.332 3.127 20 10 DGCDMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(N(C)C)cc1 ZINC000772997673 622962948 /nfs/dbraw/zinc/96/29/48/622962948.db2.gz VFZOZLVOYMWGSL-NSHDSACASA-N -1 1 302.349 3.088 20 10 DGCDMM COCCN(Cc1ccco1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775656589 623306293 /nfs/dbraw/zinc/30/62/93/623306293.db2.gz KTBIRNWROYRYIJ-UHFFFAOYSA-N -1 1 313.756 3.426 20 10 DGCDMM CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475118 623899421 /nfs/dbraw/zinc/89/94/21/623899421.db2.gz MBJWBIMVHKMFAO-BDAKNGLRSA-N -1 1 310.348 3.153 20 10 DGCDMM CC1(C)N[C@@H](c2cc(Cl)ccc2[O-])N(CC2CCCC2)C1=O ZINC000877856576 624070138 /nfs/dbraw/zinc/07/01/38/624070138.db2.gz FCUXHYMERJZPEW-OAHLLOKOSA-N -1 1 322.836 3.445 20 10 DGCDMM CC(C)=C[C@@H]1[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1(C)C ZINC000782220943 624223212 /nfs/dbraw/zinc/22/32/12/624223212.db2.gz LGZUKMNFQSEEGM-WBMJQRKESA-N -1 1 318.369 3.062 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1cccc2c1OCO2 ZINC000782382294 624246238 /nfs/dbraw/zinc/24/62/38/624246238.db2.gz USAJZOWVLKWBML-UHFFFAOYSA-N -1 1 322.158 3.496 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1[O-] ZINC000782630227 624269169 /nfs/dbraw/zinc/26/91/69/624269169.db2.gz ZAKQSBGVDKLPPN-NHCYSSNCSA-N -1 1 311.809 3.246 20 10 DGCDMM CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783673774 624381826 /nfs/dbraw/zinc/38/18/26/624381826.db2.gz NNCAEKGAVZHIBO-CYBMUJFWSA-N -1 1 320.385 3.430 20 10 DGCDMM COc1ccc(NCc2cccc(Cl)c2[O-])cc1NC(N)=O ZINC000787312596 625000484 /nfs/dbraw/zinc/00/04/84/625000484.db2.gz ONLCTQQALDAZML-UHFFFAOYSA-N -1 1 321.764 3.157 20 10 DGCDMM COCCCn1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000790976366 625727477 /nfs/dbraw/zinc/72/74/77/625727477.db2.gz ARAXSXCRDDJKGL-UHFFFAOYSA-N -1 1 313.760 3.030 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cnn(CC(F)(F)F)c1 ZINC000883079697 625919048 /nfs/dbraw/zinc/91/90/48/625919048.db2.gz AKECSSRNTRUKGA-UHFFFAOYSA-N -1 1 307.222 3.041 20 10 DGCDMM CC[C@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000796318286 626038012 /nfs/dbraw/zinc/03/80/12/626038012.db2.gz AHHXCGOWOHJBJS-WCQYABFASA-N -1 1 306.358 3.040 20 10 DGCDMM CC[C@@H](NCc1cnn(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806167113 626703594 /nfs/dbraw/zinc/70/35/94/626703594.db2.gz KXTVNXIOVOHCAW-GFCCVEGCSA-N -1 1 315.204 3.068 20 10 DGCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](O)C(F)(F)F ZINC000809751598 626946771 /nfs/dbraw/zinc/94/67/71/626946771.db2.gz SXPXACXHEDYDIC-VIFPVBQESA-N -1 1 318.122 3.054 20 10 DGCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1CO ZINC000816525929 627802372 /nfs/dbraw/zinc/80/23/72/627802372.db2.gz NRCKPKDGHZBCQT-UHFFFAOYSA-N -1 1 311.740 3.298 20 10 DGCDMM O=C1COc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc2N1 ZINC000816568670 627809068 /nfs/dbraw/zinc/80/90/68/627809068.db2.gz NEQIPNFRSCHXHK-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000816740780 627828000 /nfs/dbraw/zinc/82/80/00/627828000.db2.gz NNKWZNXYNNEDBU-UHFFFAOYSA-N -1 1 310.357 3.084 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](CC(F)(F)F)C1 ZINC000817766747 627947703 /nfs/dbraw/zinc/94/77/03/627947703.db2.gz PAHVYSLASLJRRT-MRVPVSSYSA-N -1 1 321.270 3.042 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818230261 628007355 /nfs/dbraw/zinc/00/73/55/628007355.db2.gz OXLKQMOHEOUWOH-JKSUJKDBSA-N -1 1 302.305 3.027 20 10 DGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC(CC(F)F)C2)c1[O-] ZINC000822521269 628460620 /nfs/dbraw/zinc/46/06/20/628460620.db2.gz ZTUPKPPHHZJTJS-UHFFFAOYSA-N -1 1 306.696 3.041 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1nc(C2CCC2)no1 ZINC000828030184 629016609 /nfs/dbraw/zinc/01/66/09/629016609.db2.gz BVFZDFOGHMYKAT-UHFFFAOYSA-N -1 1 324.178 3.417 20 10 DGCDMM CCn1ncnc1CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000794840190 661108664 /nfs/dbraw/zinc/10/86/64/661108664.db2.gz HCBUZRBTEQPENL-MRVPVSSYSA-N -1 1 315.204 3.161 20 10 DGCDMM O=C1N=C(NC2CCCCC2)SC1=Cc1ccc([O-])c(F)c1 ZINC000255389827 655726581 /nfs/dbraw/zinc/72/65/81/655726581.db2.gz OOXGLKAQLJAKTC-ZROIWOOFSA-N -1 1 320.389 3.424 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(CSC(F)F)o1 ZINC000255572113 655818366 /nfs/dbraw/zinc/81/83/66/655818366.db2.gz PRUARROSAJBIII-XVNBXDOJSA-N -1 1 307.368 3.224 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1cccc(CO)c1 ZINC000042412011 658772203 /nfs/dbraw/zinc/77/22/03/658772203.db2.gz GURWBVKYOWWNGZ-UHFFFAOYSA-N -1 1 308.175 3.259 20 10 DGCDMM CC(C)n1ccc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000931245072 661461511 /nfs/dbraw/zinc/46/15/11/661461511.db2.gz IAKXQXXHZNEIKH-UHFFFAOYSA-N -1 1 308.769 3.145 20 10 DGCDMM Cc1cc(O)c(CN[C@H](C(=O)[O-])c2cccs2)cc1Cl ZINC001600286822 1192826835 /nfs/dbraw/zinc/82/68/35/1192826835.db2.gz WUZUZTMPFSBRIT-ZDUSSCGKSA-N -1 1 311.790 3.331 20 10 DGCDMM Cc1csc([C@@H](C)N[C@@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654041 1192889249 /nfs/dbraw/zinc/88/92/49/1192889249.db2.gz DAGFMZSXJYAIJA-VHSXEESVSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CC2(CC2(F)F)C1 ZINC001335089940 1178851536 /nfs/dbraw/zinc/85/15/36/1178851536.db2.gz UACIITVNUBQVDZ-UHFFFAOYSA-N -1 1 316.735 3.033 20 10 DGCDMM O=C(CCOc1ccccc1F)NCc1cccc(Cl)c1[O-] ZINC001457037717 1182440760 /nfs/dbraw/zinc/44/07/60/1182440760.db2.gz NCXNAZNRSWHYPG-UHFFFAOYSA-N -1 1 323.751 3.270 20 10 DGCDMM CN1c2ccccc2N(Cc2cc(F)cc(F)c2[O-])CCC1=O ZINC001462307706 1182936530 /nfs/dbraw/zinc/93/65/30/1182936530.db2.gz YCZPJXJKDLJUEU-UHFFFAOYSA-N -1 1 318.323 3.044 20 10 DGCDMM COc1ccc(N(C)Cc2ncc(Br)cc2[O-])cc1 ZINC001462410152 1182948995 /nfs/dbraw/zinc/94/89/95/1182948995.db2.gz ILBVNNAVSKNYRX-UHFFFAOYSA-N -1 1 323.190 3.195 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1nc(Cl)cs1 ZINC001472317172 1183634426 /nfs/dbraw/zinc/63/44/26/1183634426.db2.gz YAIQBSBPIFCGAT-UHFFFAOYSA-N -1 1 303.170 3.086 20 10 DGCDMM O=C1COc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc2N1 ZINC001473946101 1183835112 /nfs/dbraw/zinc/83/51/12/1183835112.db2.gz HTFPKNHMSPQOBV-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1F ZINC001608548385 1193292489 /nfs/dbraw/zinc/29/24/89/1193292489.db2.gz MJUNYYFQXYROFW-AWEZNQCLSA-N -1 1 309.724 3.100 20 10 DGCDMM CC[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1OC ZINC001559026632 1189163941 /nfs/dbraw/zinc/16/39/41/1189163941.db2.gz RRJKQFKPWUQMRJ-GFCCVEGCSA-N -1 1 319.332 3.127 20 10 DGCDMM Cn1cnc(-c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)n1 ZINC001560435558 1189328571 /nfs/dbraw/zinc/32/85/71/1189328571.db2.gz SXFXUGZHSQWHMF-UHFFFAOYSA-N -1 1 316.311 3.078 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnc(F)c(F)c1 ZINC001563384692 1189510572 /nfs/dbraw/zinc/51/05/72/1189510572.db2.gz PRYHPYQPBWLJEY-UHFFFAOYSA-N -1 1 313.691 3.041 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NCC12CCC(CC1)C2 ZINC001564481327 1189578225 /nfs/dbraw/zinc/57/82/25/1189578225.db2.gz DBXKAKIQUQZTJL-UHFFFAOYSA-N -1 1 308.809 3.425 20 10 DGCDMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC001638735336 1194734645 /nfs/dbraw/zinc/73/46/45/1194734645.db2.gz CWGMFPKULCQZCG-UHFFFAOYSA-N -1 1 310.357 3.084 20 10 DGCDMM Cc1cccc(OCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640401814 1194811065 /nfs/dbraw/zinc/81/10/65/1194811065.db2.gz FPRPSAXVCXTQQC-UHFFFAOYSA-N -1 1 305.761 3.049 20 10 DGCDMM CC(C)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001641771528 1194871016 /nfs/dbraw/zinc/87/10/16/1194871016.db2.gz VKNQRQJVMCTKGP-UHFFFAOYSA-N -1 1 317.360 3.365 20 10 DGCDMM Cc1cc(CNC(=O)c2ncccc2[O-])c(C)n1-c1ccccc1 ZINC001643370456 1195018496 /nfs/dbraw/zinc/01/84/96/1195018496.db2.gz NRDVYTZQCCMHRV-UHFFFAOYSA-N -1 1 321.380 3.125 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](F)Cc1ccccc1 ZINC001648606426 1195312921 /nfs/dbraw/zinc/31/29/21/1195312921.db2.gz QLSIEWGDXCXDDY-AWEZNQCLSA-N -1 1 307.752 3.243 20 10 DGCDMM CSc1ccc(O)c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001653567399 1195735230 /nfs/dbraw/zinc/73/52/30/1195735230.db2.gz XTVHGKUGHNMMIC-UHFFFAOYSA-N -1 1 323.801 3.403 20 10 DGCDMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC001654619434 1195824453 /nfs/dbraw/zinc/82/44/53/1195824453.db2.gz NTHNVBTWNXCDDO-UMSPYCQHSA-N -1 1 319.307 3.052 20 10 DGCDMM Cc1cccc2c1CCC[C@@H]2NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654747700 1195835579 /nfs/dbraw/zinc/83/55/79/1195835579.db2.gz RCVHIZYNEFVUPT-AWEZNQCLSA-N -1 1 315.344 3.353 20 10 DGCDMM O=C1COc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc2N1 ZINC001656120230 1196007057 /nfs/dbraw/zinc/00/70/57/1196007057.db2.gz LRHCTRGCHSMSID-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM CNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1C ZINC001656151377 1196010830 /nfs/dbraw/zinc/01/08/30/1196010830.db2.gz IBQHTEJGUDMNMF-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM O=C1NCc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC001657435461 1196140653 /nfs/dbraw/zinc/14/06/53/1196140653.db2.gz UVPDDGDYPIQYDD-UHFFFAOYSA-N -1 1 306.724 3.040 20 10 DGCDMM CNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])c(C)c1 ZINC001659991399 1196435673 /nfs/dbraw/zinc/43/56/73/1196435673.db2.gz NFLXRJHRQISEKU-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CC2CCC1CC2 ZINC001672988674 1197633334 /nfs/dbraw/zinc/63/33/34/1197633334.db2.gz MAROLYNNZQYUGF-QIMFLAQGSA-N -1 1 308.809 3.424 20 10 DGCDMM Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001675741332 1198132097 /nfs/dbraw/zinc/13/20/97/1198132097.db2.gz FOABJRVQBTYWBA-UHFFFAOYSA-N -1 1 304.777 3.353 20 10 DGCDMM O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000316065030 963971278 /nfs/dbraw/zinc/97/12/78/963971278.db2.gz PFYFYCUATCVETF-INIZCTEOSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000316065030 963971281 /nfs/dbraw/zinc/97/12/81/963971281.db2.gz PFYFYCUATCVETF-INIZCTEOSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000316065030 963971287 /nfs/dbraw/zinc/97/12/87/963971287.db2.gz PFYFYCUATCVETF-INIZCTEOSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C(CNc1nccc2cc(F)ccc21)c1ccc([O-])c(O)c1 ZINC001170316487 1082344899 /nfs/dbraw/zinc/34/48/99/1082344899.db2.gz GABNGIAIKZSDEG-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM CCc1nc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc2o1 ZINC001170315202 1082345253 /nfs/dbraw/zinc/34/52/53/1082345253.db2.gz UDJLZLCZDSGHGY-UHFFFAOYSA-N -1 1 312.325 3.096 20 10 DGCDMM CC(C)(C)c1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170323483 1082346013 /nfs/dbraw/zinc/34/60/13/1082346013.db2.gz ZEXFJOCUEMEHLP-UHFFFAOYSA-N -1 1 300.358 3.085 20 10 DGCDMM CON(C)C(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC001182654875 1083776306 /nfs/dbraw/zinc/77/63/06/1083776306.db2.gz SDCXXTTVUBALMI-UHFFFAOYSA-N -1 1 320.776 3.291 20 10 DGCDMM COC(=O)[C@H](NCc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001184124617 1084102707 /nfs/dbraw/zinc/10/27/07/1084102707.db2.gz LSOAQVCPDDMPHJ-OAHLLOKOSA-N -1 1 305.761 3.050 20 10 DGCDMM Cc1cccc2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001159280606 1088267666 /nfs/dbraw/zinc/26/76/66/1088267666.db2.gz ZVFWNXBKJDLNKB-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001139126578 1091456831 /nfs/dbraw/zinc/45/68/31/1091456831.db2.gz LGUQNNQHFJTSOQ-YOEHRIQHSA-N -1 1 323.339 3.079 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001139685508 1091641646 /nfs/dbraw/zinc/64/16/46/1091641646.db2.gz LXFHFQNNWUWFFO-LBPRGKRZSA-N -1 1 313.241 3.394 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CCOC[C@@H]1C1CCCCC1 ZINC001139686867 1091643226 /nfs/dbraw/zinc/64/32/26/1091643226.db2.gz HGVPHTKIDNLEMT-MRXNPFEDSA-N -1 1 311.372 3.452 20 10 DGCDMM O=C(C1CCN(Cc2cc(F)c(F)cc2[O-])CC1)C(F)(F)F ZINC001142524698 1092493398 /nfs/dbraw/zinc/49/33/98/1092493398.db2.gz HKURBTJUJKBAJT-UHFFFAOYSA-N -1 1 323.261 3.014 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@H]1COCc1ccccc1 ZINC001139684060 1095346065 /nfs/dbraw/zinc/34/60/65/1095346065.db2.gz PZSRCFMJCOYJRL-AWEZNQCLSA-N -1 1 319.351 3.462 20 10 DGCDMM [O-]c1cc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c(F)c1 ZINC001144561706 1095712075 /nfs/dbraw/zinc/71/20/75/1095712075.db2.gz MJGWHLQAFYEXSM-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM CCC1(NC(=O)OC(C)(C)C)CN(Cc2cccc(F)c2[O-])C1 ZINC001138129732 1095897883 /nfs/dbraw/zinc/89/78/83/1095897883.db2.gz UBUXOUQUAYXXLS-UHFFFAOYSA-N -1 1 324.396 3.020 20 10 DGCDMM C[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001229197295 1097275818 /nfs/dbraw/zinc/27/58/18/1097275818.db2.gz NJSDJVCCNCPSKC-SECBINFHSA-N -1 1 324.332 3.051 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001231566303 1097780110 /nfs/dbraw/zinc/78/01/10/1097780110.db2.gz XCTMLBNHWDBCPL-CQSZACIVSA-N -1 1 315.344 3.219 20 10 DGCDMM [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001231914209 1097892637 /nfs/dbraw/zinc/89/26/37/1097892637.db2.gz IBIBOKWQHRFXIX-MRXNPFEDSA-N -1 1 317.816 3.489 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1C2CCC1CC2 ZINC001233031444 1098206291 /nfs/dbraw/zinc/20/62/91/1098206291.db2.gz DJTBAAXRVUVFBN-UHFFFAOYSA-N -1 1 300.171 3.421 20 10 DGCDMM CN1CCN(Cc2ccc(F)c(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001233074725 1098219794 /nfs/dbraw/zinc/21/97/94/1098219794.db2.gz UXZLANRKOCLWMP-INIZCTEOSA-N -1 1 318.367 3.159 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CC(OCc2ccccc2)C1 ZINC001233334358 1098292044 /nfs/dbraw/zinc/29/20/44/1098292044.db2.gz CQPNRFAYQUFGNQ-UHFFFAOYSA-N -1 1 305.324 3.071 20 10 DGCDMM Cc1ncc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001233418922 1098325057 /nfs/dbraw/zinc/32/50/57/1098325057.db2.gz BRRMXGBDOCSOHT-UHFFFAOYSA-N -1 1 311.307 3.141 20 10 DGCDMM CC1(C)CN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233418478 1098325109 /nfs/dbraw/zinc/32/51/09/1098325109.db2.gz IQGNOEHDYHSZLK-UHFFFAOYSA-N -1 1 301.308 3.212 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cnn(C)c1C ZINC001233495745 1098350786 /nfs/dbraw/zinc/35/07/86/1098350786.db2.gz RKEIFNAFMDMMQH-NSHDSACASA-N -1 1 318.373 3.263 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC[C@@H]1OC ZINC001233496656 1098352415 /nfs/dbraw/zinc/35/24/15/1098352415.db2.gz YSQFJHWIEDILQT-HOTGVXAUSA-N -1 1 308.374 3.417 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](CC(C)C)C(=O)OC(C)C ZINC001234473880 1098563983 /nfs/dbraw/zinc/56/39/83/1098563983.db2.gz LIBJKZYUQPQPSD-INIZCTEOSA-N -1 1 324.373 3.046 20 10 DGCDMM [O-]c1c(Br)cc(F)cc1CN1CCC(F)CC1 ZINC001235298367 1098947605 /nfs/dbraw/zinc/94/76/05/1098947605.db2.gz RSKNJYSOWRLBAP-UHFFFAOYSA-N -1 1 306.150 3.228 20 10 DGCDMM CCc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1O ZINC001180410163 1099411311 /nfs/dbraw/zinc/41/13/11/1099411311.db2.gz KVHVZEWSHKXWLI-UHFFFAOYSA-N -1 1 305.761 3.244 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CC(F)(C3CC3)C2)c1 ZINC001236662717 1099729795 /nfs/dbraw/zinc/72/97/95/1099729795.db2.gz GWOWATULUIOGMB-UHFFFAOYSA-N -1 1 314.198 3.397 20 10 DGCDMM COc1cc([O-])c(CN2CCC(F)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236799700 1099793569 /nfs/dbraw/zinc/79/35/69/1099793569.db2.gz WLGDUEIAFARLOO-LBPRGKRZSA-N -1 1 309.715 3.233 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001236790224 1099785732 /nfs/dbraw/zinc/78/57/32/1099785732.db2.gz NBKDDMNDTBIYKL-PELKAZGASA-N -1 1 324.154 3.165 20 10 DGCDMM CCOC(=O)CN(CC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236799929 1099792815 /nfs/dbraw/zinc/79/28/15/1099792815.db2.gz RUYROMYGIMUFAE-UHFFFAOYSA-N -1 1 306.189 3.084 20 10 DGCDMM Cc1ncc2n1CCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237079317 1099959616 /nfs/dbraw/zinc/95/96/16/1099959616.db2.gz JTBDCXKIEDTGMR-UHFFFAOYSA-N -1 1 312.200 3.220 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCCCC12COC2 ZINC001237083072 1099961297 /nfs/dbraw/zinc/96/12/97/1099961297.db2.gz YCCJOJGIJCOQMY-UHFFFAOYSA-N -1 1 302.201 3.454 20 10 DGCDMM Cc1cc(CN(C)Cc2c([O-])ccc(Cl)c2Cl)n(C)n1 ZINC001237083065 1099961968 /nfs/dbraw/zinc/96/19/68/1099961968.db2.gz XURCWANUJZAGTO-UHFFFAOYSA-N -1 1 314.216 3.373 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN(CCO)CC(F)(F)F ZINC001237084605 1099962544 /nfs/dbraw/zinc/96/25/44/1099962544.db2.gz LVMJJNOMDKWYIP-UHFFFAOYSA-N -1 1 318.122 3.056 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c(C)cc1O ZINC001192032514 1100565416 /nfs/dbraw/zinc/56/54/16/1100565416.db2.gz UZGGDWBINDPSON-UHFFFAOYSA-N -1 1 318.609 3.078 20 10 DGCDMM O=C(Nc1cnccc1C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193219027 1100717899 /nfs/dbraw/zinc/71/78/99/1100717899.db2.gz FUNXARDILXPFOL-UHFFFAOYSA-N -1 1 304.733 3.276 20 10 DGCDMM Cc1ccc(CCNC(=O)c2ccc(O)c([O-])c2Cl)c(C)c1 ZINC001193237107 1100719660 /nfs/dbraw/zinc/71/96/60/1100719660.db2.gz WLSUQVRHYHAESK-UHFFFAOYSA-N -1 1 319.788 3.341 20 10 DGCDMM O=C(NC[C@@H]1CCc2ccccc21)c1ccc(O)c([O-])c1Cl ZINC001193246964 1100720513 /nfs/dbraw/zinc/72/05/13/1100720513.db2.gz FTRIOQAIAXONRU-NSHDSACASA-N -1 1 317.772 3.211 20 10 DGCDMM CCN(Cc1ccccc1O)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249776070 1105379571 /nfs/dbraw/zinc/37/95/71/1105379571.db2.gz IUBDRVMQCIUHRN-UHFFFAOYSA-N -1 1 321.323 3.391 20 10 DGCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(Cl)cc1 ZINC001251738149 1105689434 /nfs/dbraw/zinc/68/94/34/1105689434.db2.gz CRTGYZNCXATMAE-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1C ZINC001259168132 1107089824 /nfs/dbraw/zinc/08/98/24/1107089824.db2.gz RXOTZHZWDITMNP-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001259205493 1107099069 /nfs/dbraw/zinc/09/90/69/1107099069.db2.gz WIJDSCLUATZXKP-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM C[C@H](CC1CCCCC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001320880304 1107174198 /nfs/dbraw/zinc/17/41/98/1107174198.db2.gz YUHWMMPMWXIIPC-GFCCVEGCSA-N -1 1 320.385 3.430 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(-n2cncn2)cc1 ZINC001324338066 1108255987 /nfs/dbraw/zinc/25/59/87/1108255987.db2.gz YOUWVZBQGOXLCQ-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM NC(=O)CCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC001324513169 1108324014 /nfs/dbraw/zinc/32/40/14/1108324014.db2.gz BXJUJEYDFLWTCA-UHFFFAOYSA-N -1 1 322.767 3.215 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001324859783 1108488552 /nfs/dbraw/zinc/48/85/52/1108488552.db2.gz XOAZCULIBDXLMN-UHFFFAOYSA-N -1 1 318.676 3.037 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2c(F)cccc2Cl)c1 ZINC001308232588 1111402196 /nfs/dbraw/zinc/40/21/96/1111402196.db2.gz YMZWXGWLMIKTFT-UHFFFAOYSA-N -1 1 310.712 3.383 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnc2ccccn12 ZINC001310974025 1111577355 /nfs/dbraw/zinc/57/73/55/1111577355.db2.gz FHNPUCCGBKVUIW-UHFFFAOYSA-N -1 1 316.748 3.015 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001313062131 1111691756 /nfs/dbraw/zinc/69/17/56/1111691756.db2.gz DSAGPMGUMCSUSK-WZRBSPASSA-N -1 1 308.809 3.281 20 10 DGCDMM CCCC[N@H+](Cc1ncnn1CC(C)C)Cc1ccccc1O ZINC000282354125 433577342 /nfs/dbraw/zinc/57/73/42/433577342.db2.gz CVEGMUKCHDNUFF-UHFFFAOYSA-N -1 1 316.449 3.442 20 10 DGCDMM CCCc1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000293903841 433915768 /nfs/dbraw/zinc/91/57/68/433915768.db2.gz ZTOCKMFCYBBPPJ-JTQLQIEISA-N -1 1 319.361 3.400 20 10 DGCDMM Cc1ccccc1[C@@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000294799470 434144162 /nfs/dbraw/zinc/14/41/62/434144162.db2.gz DXRNLTMNLUYHPL-GFCCVEGCSA-N -1 1 315.344 3.175 20 10 DGCDMM O=C([O-])[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739597954 574908899 /nfs/dbraw/zinc/90/88/99/574908899.db2.gz IGZWTUZADKSYKT-NSHDSACASA-N -1 1 311.337 3.198 20 10 DGCDMM O=C([O-])[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739597954 574908902 /nfs/dbraw/zinc/90/89/02/574908902.db2.gz IGZWTUZADKSYKT-NSHDSACASA-N -1 1 311.337 3.198 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1csc2ccccc12 ZINC000728700229 576195611 /nfs/dbraw/zinc/19/56/11/576195611.db2.gz ZPONXTGJQWELRJ-XNTDXEJSSA-N -1 1 320.373 3.363 20 10 DGCDMM CC[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1c(C)noc1C ZINC000890757480 617655828 /nfs/dbraw/zinc/65/58/28/617655828.db2.gz FFBVOQMABKUFTP-LBPRGKRZSA-N -1 1 322.792 3.460 20 10 DGCDMM CCS[C@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000890757893 617656039 /nfs/dbraw/zinc/65/60/39/617656039.db2.gz MBFNSUOININVKW-ZDUSSCGKSA-N -1 1 301.839 3.440 20 10 DGCDMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C(C)(C)C)n1 ZINC000890759672 617656374 /nfs/dbraw/zinc/65/63/74/617656374.db2.gz GWWHEFJHIAGGCN-UHFFFAOYSA-N -1 1 321.808 3.007 20 10 DGCDMM CO[C@H]1CCC[C@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759126 617656422 /nfs/dbraw/zinc/65/64/22/617656422.db2.gz DDNTWSTYTKHZMK-AAEUAGOBSA-N -1 1 311.809 3.257 20 10 DGCDMM CC[C@H](OC1CCCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759340 617656553 /nfs/dbraw/zinc/65/65/53/617656553.db2.gz ADFFJMIJOZUQSO-AWEZNQCLSA-N -1 1 311.809 3.400 20 10 DGCDMM Cc1noc(C)c1[C@@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759619 617656635 /nfs/dbraw/zinc/65/66/35/617656635.db2.gz FHQSGTCOLWXQKW-VIFPVBQESA-N -1 1 322.792 3.460 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000890759979 617656947 /nfs/dbraw/zinc/65/69/47/617656947.db2.gz XTKCJGMISDSAEP-SECBINFHSA-N -1 1 303.736 3.487 20 10 DGCDMM O=C(C[C@H]1CCC2(CCC2)CO1)NCc1cccc(Cl)c1[O-] ZINC000890763203 617658417 /nfs/dbraw/zinc/65/84/17/617658417.db2.gz RNGMDQGNKVXFFQ-CYBMUJFWSA-N -1 1 323.820 3.401 20 10 DGCDMM [O-]c1c(F)cc(Br)cc1CN1CC(C2CC2)C1 ZINC000894813303 618463899 /nfs/dbraw/zinc/46/38/99/618463899.db2.gz OGZFQUILXNAZGA-UHFFFAOYSA-N -1 1 300.171 3.136 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCC1(F)F ZINC000895179458 618567992 /nfs/dbraw/zinc/56/79/92/618567992.db2.gz QPQPAIWNSPKCMG-SNVBAGLBSA-N -1 1 318.751 3.280 20 10 DGCDMM C[C@@]1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCS1 ZINC000893631382 618622987 /nfs/dbraw/zinc/62/29/87/618622987.db2.gz SJBKLQQBRIWUQB-AWEZNQCLSA-N -1 1 314.838 3.131 20 10 DGCDMM C[C@]1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCS1 ZINC000893631383 618623118 /nfs/dbraw/zinc/62/31/18/618623118.db2.gz SJBKLQQBRIWUQB-CQSZACIVSA-N -1 1 314.838 3.131 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H]2C(F)F)c1 ZINC000895431293 618782536 /nfs/dbraw/zinc/78/25/36/618782536.db2.gz KYRCXRQSPWTXSC-SNVBAGLBSA-N -1 1 306.150 3.303 20 10 DGCDMM Cc1cc(O)c(C[NH2+]C2(c3ncccn3)CCC2)cc1Cl ZINC000895624232 618808708 /nfs/dbraw/zinc/80/87/08/618808708.db2.gz XXFXONIGHOJSNZ-UHFFFAOYSA-N -1 1 303.793 3.313 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C1(C2CC2)CCC1 ZINC000907757467 620172312 /nfs/dbraw/zinc/17/23/12/620172312.db2.gz GNPQFEKRKZBRIR-UHFFFAOYSA-N -1 1 324.218 3.351 20 10 DGCDMM CC(C)CCOC(=O)NCc1cccc(Br)c1[O-] ZINC000859133671 621252138 /nfs/dbraw/zinc/25/21/38/621252138.db2.gz DXKTVQOSRWMLKO-UHFFFAOYSA-N -1 1 316.195 3.427 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000867830522 622186846 /nfs/dbraw/zinc/18/68/46/622186846.db2.gz BBYNYTVLHRSFMD-SASUGWTJSA-N -1 1 324.218 3.063 20 10 DGCDMM CC/C=C(/F)C(=O)NCc1cccc(Br)c1[O-] ZINC000867831293 622187027 /nfs/dbraw/zinc/18/70/27/622187027.db2.gz TWKULZRQUPFJCX-ONNFQVAWSA-N -1 1 302.143 3.034 20 10 DGCDMM CCC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758659 622217869 /nfs/dbraw/zinc/21/78/69/622217869.db2.gz SGECHLNRDHEWNE-SECBINFHSA-N -1 1 315.211 3.143 20 10 DGCDMM CC(C)(C)OC(=O)c1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000764888934 622230406 /nfs/dbraw/zinc/23/04/06/622230406.db2.gz OKWSNSNFGBAKKK-FLIBITNWSA-N -1 1 321.423 3.131 20 10 DGCDMM Cc1cnc(C)c(NCc2cccc(Br)c2[O-])n1 ZINC000764935340 622233881 /nfs/dbraw/zinc/23/38/81/622233881.db2.gz RSZMRQLIWDOARD-UHFFFAOYSA-N -1 1 308.179 3.174 20 10 DGCDMM O=[N+]([O-])c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764935365 622234014 /nfs/dbraw/zinc/23/40/14/622234014.db2.gz SCNUSYZRHARIAR-UHFFFAOYSA-N -1 1 324.134 3.070 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000765750713 622285358 /nfs/dbraw/zinc/28/53/58/622285358.db2.gz KJOKJVYNURDMNH-UHFFFAOYSA-N -1 1 324.149 3.224 20 10 DGCDMM O=C(/C=C\c1ccco1)NCc1cccc(Br)c1[O-] ZINC000765765391 622286046 /nfs/dbraw/zinc/28/60/46/622286046.db2.gz RRZWNYQWPKCWFL-SREVYHEPSA-N -1 1 322.158 3.077 20 10 DGCDMM Cc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC000789975729 625589956 /nfs/dbraw/zinc/58/99/56/625589956.db2.gz CGPKFASVACPWSH-GFCCVEGCSA-N -1 1 317.360 3.215 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000789980229 625590499 /nfs/dbraw/zinc/59/04/99/625590499.db2.gz WWESEWSDCYSCBD-KRWDZBQOSA-N -1 1 305.349 3.199 20 10 DGCDMM C[C@H](NCc1ncc(Cl)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872117067 622817966 /nfs/dbraw/zinc/81/79/66/622817966.db2.gz YHMXYLIWSYHJSY-ZETCQYMHSA-N -1 1 313.766 3.261 20 10 DGCDMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(N(C)C)cc1 ZINC000775411035 623270909 /nfs/dbraw/zinc/27/09/09/623270909.db2.gz NQTAMRWADBWTHH-NSHDSACASA-N -1 1 302.349 3.088 20 10 DGCDMM CNC(=O)c1ccc(OC)c(NCc2cccc(Cl)c2[O-])c1 ZINC000775752567 623325017 /nfs/dbraw/zinc/32/50/17/623325017.db2.gz CUVYTVPYYVRQCG-UHFFFAOYSA-N -1 1 320.776 3.026 20 10 DGCDMM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(F)c1[O-] ZINC000778525205 623663507 /nfs/dbraw/zinc/66/35/07/623663507.db2.gz JZTNCVBPUYWDDR-MRXNPFEDSA-N -1 1 320.408 3.465 20 10 DGCDMM Cc1cccc2c1N[C@H](c1cc(Cl)c(F)cc1[O-])NC2=O ZINC000877846015 624067136 /nfs/dbraw/zinc/06/71/36/624067136.db2.gz OIOYXVYYTUTQTC-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM CC1(C)CCC(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000784337490 624506117 /nfs/dbraw/zinc/50/61/17/624506117.db2.gz WCWDEUCSKHWYPU-UHFFFAOYSA-N -1 1 320.385 3.430 20 10 DGCDMM CC[C@H](C)CCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784675395 624569504 /nfs/dbraw/zinc/56/95/04/624569504.db2.gz IRCUJRIPFAOUKQ-LBPRGKRZSA-N -1 1 308.374 3.430 20 10 DGCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000786972596 624969476 /nfs/dbraw/zinc/96/94/76/624969476.db2.gz DYYCYCPOUUJKSE-RNCFNFMXSA-N -1 1 319.323 3.416 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(N2CCOCC2)cc1 ZINC000882906345 625853240 /nfs/dbraw/zinc/85/32/40/625853240.db2.gz AMXOHEZRQRTHBM-UHFFFAOYSA-N -1 1 320.339 3.119 20 10 DGCDMM CC[C@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000796318283 626037877 /nfs/dbraw/zinc/03/78/77/626037877.db2.gz AHHXCGOWOHJBJS-AAEUAGOBSA-N -1 1 306.358 3.040 20 10 DGCDMM Cn1c(=O)[nH]c2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000799740075 626327096 /nfs/dbraw/zinc/32/70/96/626327096.db2.gz IMRAVAGIRYSBRV-UHFFFAOYSA-N -1 1 303.749 3.250 20 10 DGCDMM Cc1oc(C(C)C)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000803717310 626629273 /nfs/dbraw/zinc/62/92/73/626629273.db2.gz PKFLOFOHRNCOSK-UHFFFAOYSA-N -1 1 318.325 3.162 20 10 DGCDMM CNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000809659804 626934100 /nfs/dbraw/zinc/93/41/00/626934100.db2.gz ZVNYDMXJGRRLDQ-UHFFFAOYSA-N -1 1 308.740 3.156 20 10 DGCDMM CCC[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000812558414 627397640 /nfs/dbraw/zinc/39/76/40/627397640.db2.gz YPPSKMOURAOJKF-MWLCHTKSSA-N -1 1 312.207 3.207 20 10 DGCDMM COCc1ccccc1C=C(C)C=C1SC(=S)[N-]C1=O ZINC000814187094 627548503 /nfs/dbraw/zinc/54/85/03/627548503.db2.gz ZENAKCQFFHKOAB-SAJCGKLUSA-N -1 1 305.424 3.268 20 10 DGCDMM CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816524606 627802509 /nfs/dbraw/zinc/80/25/09/627802509.db2.gz LPWFOTWRCOXAGH-UHFFFAOYSA-N -1 1 308.740 3.156 20 10 DGCDMM O=C1COc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2N1 ZINC000816537127 627803933 /nfs/dbraw/zinc/80/39/33/627803933.db2.gz UJGDKQZCZGQRFM-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM O=C1NCc2c1cccc2NCc1cc(Cl)c(F)cc1[O-] ZINC000816609398 627814202 /nfs/dbraw/zinc/81/42/02/627814202.db2.gz AMBKHDVXIGTULL-UHFFFAOYSA-N -1 1 306.724 3.040 20 10 DGCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1ccccc1C ZINC000816740961 627827868 /nfs/dbraw/zinc/82/78/68/627827868.db2.gz RXZUBRSENGVKSW-UHFFFAOYSA-N -1 1 324.384 3.392 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccc(COCCO)cc1 ZINC000822520709 628460741 /nfs/dbraw/zinc/46/07/41/628460741.db2.gz MPYVQIBVXCCKIW-UHFFFAOYSA-N -1 1 307.777 3.167 20 10 DGCDMM CCn1ccnc1[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825005944 628715428 /nfs/dbraw/zinc/71/54/28/628715428.db2.gz VQKRIGCWUIEXRJ-SECBINFHSA-N -1 1 324.768 3.021 20 10 DGCDMM CC(C(=O)NCc1cccc(Br)c1[O-])=C1CCC1 ZINC000831158063 629344513 /nfs/dbraw/zinc/34/45/13/629344513.db2.gz DAKVDFKCPIKZNG-UHFFFAOYSA-N -1 1 310.191 3.271 20 10 DGCDMM CC(=O)c1cc(F)cc(CN2CCC[C@H](OC3CCC3)C2)c1O ZINC000847038625 631387670 /nfs/dbraw/zinc/38/76/70/631387670.db2.gz USWMAJBTYJKHOP-INIZCTEOSA-N -1 1 321.392 3.267 20 10 DGCDMM C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352282 632122812 /nfs/dbraw/zinc/12/28/12/632122812.db2.gz QYXZYWBWEHEYAH-WRWORJQWSA-N -1 1 313.188 3.086 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(F)cc1Br ZINC000178296276 655727584 /nfs/dbraw/zinc/72/75/84/655727584.db2.gz ZOQFBEOMPOSQHX-BAQGIRSFSA-N -1 1 318.192 3.077 20 10 DGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000177384077 655923433 /nfs/dbraw/zinc/92/34/33/655923433.db2.gz IMWZWIKROCWXLX-MRXNPFEDSA-N -1 1 323.408 3.371 20 10 DGCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)cc(C)c1OC(F)F ZINC000007155222 657310484 /nfs/dbraw/zinc/31/04/84/657310484.db2.gz PEJAQBXSGOJLFQ-UITAMQMPSA-N -1 1 315.366 3.394 20 10 DGCDMM O=C1N=C(NC2CCCCC2)SC1=Cc1ccc([O-])c(F)c1 ZINC000158761315 661877680 /nfs/dbraw/zinc/87/76/80/661877680.db2.gz OOXGLKAQLJAKTC-NTEUORMPSA-N -1 1 320.389 3.424 20 10 DGCDMM Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)oc1C(=O)[O-] ZINC001600203886 1192806154 /nfs/dbraw/zinc/80/61/54/1192806154.db2.gz YIVRBSXPGWTHKM-GFCCVEGCSA-N -1 1 302.374 3.203 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(C2CC2)s1 ZINC001334427914 1178762296 /nfs/dbraw/zinc/76/22/96/1178762296.db2.gz NHPUGXPJAINBOU-UHFFFAOYSA-N -1 1 308.790 3.310 20 10 DGCDMM O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001602007337 1192955496 /nfs/dbraw/zinc/95/54/96/1192955496.db2.gz CBRVEXQQLAFZSJ-UHFFFAOYSA-N -1 1 321.323 3.147 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1O ZINC001602059345 1192957569 /nfs/dbraw/zinc/95/75/69/1192957569.db2.gz NDIIQZLONUGTFN-UHFFFAOYSA-N -1 1 323.751 3.272 20 10 DGCDMM O=C([O-])c1ccc(CNCc2ccc3c(c2)CCCO3)c(F)c1 ZINC001602348739 1192972426 /nfs/dbraw/zinc/97/24/26/1192972426.db2.gz XIASQQFNGZLWPS-UHFFFAOYSA-N -1 1 315.344 3.139 20 10 DGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc([O-])c1F ZINC001442342508 1182080493 /nfs/dbraw/zinc/08/04/93/1182080493.db2.gz LEQPIMIZHDDBIF-UHFFFAOYSA-N -1 1 316.376 3.260 20 10 DGCDMM CNC(=O)Oc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001461527943 1182824814 /nfs/dbraw/zinc/82/48/14/1182824814.db2.gz ITRPQEGEPKQSJH-UHFFFAOYSA-N -1 1 308.284 3.001 20 10 DGCDMM C[N@@H+](Cc1ccc(Cl)cc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC001606157417 1193192196 /nfs/dbraw/zinc/19/21/96/1193192196.db2.gz OITWNMJYAAVFIP-OAHLLOKOSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC001606157417 1193192198 /nfs/dbraw/zinc/19/21/98/1193192198.db2.gz OITWNMJYAAVFIP-OAHLLOKOSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC001606157417 1193192200 /nfs/dbraw/zinc/19/22/00/1193192200.db2.gz OITWNMJYAAVFIP-OAHLLOKOSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c(O)ccc2ccncc21 ZINC001606154735 1193192321 /nfs/dbraw/zinc/19/23/21/1193192321.db2.gz PAUOYPNWPYNNMN-UHFFFAOYSA-N -1 1 322.364 3.271 20 10 DGCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c([O-])ccc2ccncc21 ZINC001606154735 1193192322 /nfs/dbraw/zinc/19/23/22/1193192322.db2.gz PAUOYPNWPYNNMN-UHFFFAOYSA-N -1 1 322.364 3.271 20 10 DGCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c([O-])ccc2ccncc21 ZINC001606154735 1193192325 /nfs/dbraw/zinc/19/23/25/1193192325.db2.gz PAUOYPNWPYNNMN-UHFFFAOYSA-N -1 1 322.364 3.271 20 10 DGCDMM Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3[O-])cc2o1 ZINC001606868966 1193206438 /nfs/dbraw/zinc/20/64/38/1193206438.db2.gz TVUKXUIRHFQQJC-UHFFFAOYSA-N -1 1 316.744 3.425 20 10 DGCDMM Cc1cc([O-])c(C[NH+]2CCC(CCC(=O)[O-])CC2)c(Cl)c1 ZINC001607700158 1193249716 /nfs/dbraw/zinc/24/97/16/1193249716.db2.gz VAODMJFJFRVPJC-UHFFFAOYSA-N -1 1 311.809 3.431 20 10 DGCDMM O=C1COc2cccc(NCc3cc(Cl)c(F)cc3[O-])c2N1 ZINC001474681081 1183960734 /nfs/dbraw/zinc/96/07/34/1183960734.db2.gz WAXIFKVTYQIORX-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM CSc1cc(NC(=O)NCc2cccc(Cl)c2[O-])ccn1 ZINC001563084492 1189042745 /nfs/dbraw/zinc/04/27/45/1189042745.db2.gz IXFYTUISTXJFRI-UHFFFAOYSA-N -1 1 323.805 3.484 20 10 DGCDMM C[C@H](CN(C)C(=O)c1c([O-])c(O)ccc1F)c1ccccc1 ZINC001558925439 1189157220 /nfs/dbraw/zinc/15/72/20/1189157220.db2.gz JZZDBCQRSQDWKI-LLVKDONJSA-N -1 1 303.333 3.113 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCc2ccc(Cl)cc2C1 ZINC001558959933 1189159713 /nfs/dbraw/zinc/15/97/13/1189159713.db2.gz OWAYILVIJMSMPB-UHFFFAOYSA-N -1 1 321.735 3.089 20 10 DGCDMM CNC(=O)c1ccc(C)c(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001560385898 1189321809 /nfs/dbraw/zinc/32/18/09/1189321809.db2.gz DYMXZAKLEZAOIZ-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM NC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1Cl ZINC001560519370 1189335765 /nfs/dbraw/zinc/33/57/65/1189335765.db2.gz ABIAVCXXBUNEMO-UHFFFAOYSA-N -1 1 312.703 3.035 20 10 DGCDMM CC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001563406678 1189511885 /nfs/dbraw/zinc/51/18/85/1189511885.db2.gz NMPDUIWZEVIPNQ-SECBINFHSA-N -1 1 310.703 3.186 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CC(F)(c2ccccc2F)C1 ZINC001621380798 1193835675 /nfs/dbraw/zinc/83/56/75/1193835675.db2.gz BWYGNIJCRHOVPP-UHFFFAOYSA-N -1 1 311.278 3.490 20 10 DGCDMM CCc1ccccc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001640405547 1194811817 /nfs/dbraw/zinc/81/18/17/1194811817.db2.gz XDLNNXYOKMHCRM-UHFFFAOYSA-N -1 1 303.789 3.467 20 10 DGCDMM O=C(CSc1nc2ccc(F)cc2o1)c1ccc([O-])c(O)c1 ZINC001644244865 1195092931 /nfs/dbraw/zinc/09/29/31/1195092931.db2.gz SSWDDMIVDPPRAY-UHFFFAOYSA-N -1 1 319.313 3.353 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc2c1COCC2 ZINC001648609457 1195312833 /nfs/dbraw/zinc/31/28/33/1195312833.db2.gz ZAZRRNLALBEFOD-UHFFFAOYSA-N -1 1 317.772 3.048 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](c2cccc(F)c2)C1 ZINC001650978460 1195400182 /nfs/dbraw/zinc/40/01/82/1195400182.db2.gz COOXBYKPGNKAPQ-NSHDSACASA-N -1 1 319.307 3.006 20 10 DGCDMM CC1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])c2ccccc21 ZINC001654412482 1195801386 /nfs/dbraw/zinc/80/13/86/1195801386.db2.gz QAEKKAGGVSBQSK-ZDUSSCGKSA-N -1 1 315.344 3.389 20 10 DGCDMM CN1Cc2c(cccc2NCc2c([O-])ccc(Cl)c2F)C1=O ZINC001656430318 1196039239 /nfs/dbraw/zinc/03/92/39/1196039239.db2.gz SAFKYEMAJUNQLD-UHFFFAOYSA-N -1 1 320.751 3.382 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCOC[C@H]1c1ccccc1 ZINC001657328805 1196130500 /nfs/dbraw/zinc/13/05/00/1196130500.db2.gz XRJHWLPYCWHNSY-INIZCTEOSA-N -1 1 305.324 3.244 20 10 DGCDMM O=C1CC[C@H](c2cccc(NCc3cc(F)cc(F)c3[O-])c2)N1 ZINC001657543533 1196153055 /nfs/dbraw/zinc/15/30/55/1196153055.db2.gz CVNTYRIZVNXUBX-OAHLLOKOSA-N -1 1 318.323 3.234 20 10 DGCDMM C[C@]1(CNC(=O)NCc2cccc(Cl)c2[O-])C[C@H]2C[C@H]2C1 ZINC001684416244 1199383764 /nfs/dbraw/zinc/38/37/64/1199383764.db2.gz RWHOTLXDKXLCMW-ATCWAGBWSA-N -1 1 308.809 3.281 20 10 DGCDMM Cc1cc([O-])c(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC001600286093 970794240 /nfs/dbraw/zinc/79/42/40/970794240.db2.gz KHZVAADRRXJFIK-HNNXBMFYSA-N -1 1 305.761 3.270 20 10 DGCDMM Cc1cc([O-])c(C[NH2+]Cc2ccccc2C(=O)[O-])cc1Cl ZINC001594326882 958181635 /nfs/dbraw/zinc/18/16/35/958181635.db2.gz LCMBUKOBVNXHTN-UHFFFAOYSA-N -1 1 305.761 3.342 20 10 DGCDMM O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000316065034 963971656 /nfs/dbraw/zinc/97/16/56/963971656.db2.gz PFYFYCUATCVETF-MRXNPFEDSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000316065034 963971660 /nfs/dbraw/zinc/97/16/60/963971660.db2.gz PFYFYCUATCVETF-MRXNPFEDSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000316065034 963971663 /nfs/dbraw/zinc/97/16/63/963971663.db2.gz PFYFYCUATCVETF-MRXNPFEDSA-N -1 1 317.772 3.230 20 10 DGCDMM C[C@H](NCc1cc(Cl)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593293277 994683184 /nfs/dbraw/zinc/68/31/84/994683184.db2.gz SYFDRZBIOJOGNU-ZETCQYMHSA-N -1 1 312.778 3.051 20 10 DGCDMM C[C@@]1(CF)CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029138 1098206863 /nfs/dbraw/zinc/20/68/63/1098206863.db2.gz ZOEFUXGWDRKVMV-ZDUSSCGKSA-N -1 1 320.177 3.475 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](F)C[C@H]2CF)c1 ZINC001236663412 1099729480 /nfs/dbraw/zinc/72/94/80/1099729480.db2.gz NHXFOYKQXJHSRH-QWRGUYRKSA-N -1 1 320.177 3.345 20 10 DGCDMM O=C(CNc1cc(Cl)cc2oncc21)c1ccc([O-])c(O)c1 ZINC001170321275 1082345123 /nfs/dbraw/zinc/34/51/23/1082345123.db2.gz YYYMMICRWYKDSJ-UHFFFAOYSA-N -1 1 318.716 3.187 20 10 DGCDMM Cc1cc2ncccc2cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170323292 1082346074 /nfs/dbraw/zinc/34/60/74/1082346074.db2.gz VSNPAJWDMGQZDW-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM C/C(=C\c1ccccn1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041330 1088155580 /nfs/dbraw/zinc/15/55/80/1088155580.db2.gz IHOXIVDPCFDNEZ-PKNBQFBNSA-N -1 1 302.761 3.160 20 10 DGCDMM O=C(CNc1cc(Cl)cc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159273481 1088264563 /nfs/dbraw/zinc/26/45/63/1088264563.db2.gz WZIMMJQVLVMXTH-UHFFFAOYSA-N -1 1 313.140 3.094 20 10 DGCDMM Cc1ccc(Cl)cc1CNC(=O)c1c([O-])c(O)ccc1F ZINC001161870133 1089446122 /nfs/dbraw/zinc/44/61/22/1089446122.db2.gz ATVBVXXXEITJCC-UHFFFAOYSA-N -1 1 309.724 3.129 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@]2(CCO2)C1 ZINC001203582246 1090761614 /nfs/dbraw/zinc/76/16/14/1090761614.db2.gz ZJRFXVJMTGMXLO-AWEZNQCLSA-N -1 1 302.201 3.454 20 10 DGCDMM Cc1ccc2c(n1)N(C)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338973 1091832867 /nfs/dbraw/zinc/83/28/67/1091832867.db2.gz BQIRHJNWGAIORF-UHFFFAOYSA-N -1 1 317.820 3.201 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@H](c2ccccc2)C1 ZINC001142524992 1092494460 /nfs/dbraw/zinc/49/44/60/1092494460.db2.gz SGQNLFMWACSPOV-QGZVFWFLSA-N -1 1 305.324 3.244 20 10 DGCDMM [O-]c1cc(F)c(Br)cc1CN1CCC(F)CC1 ZINC001144298967 1095592469 /nfs/dbraw/zinc/59/24/69/1095592469.db2.gz NDPVUGSQHKQYBT-UHFFFAOYSA-N -1 1 306.150 3.228 20 10 DGCDMM CCC[C@H]1CC[C@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001144643816 1095751734 /nfs/dbraw/zinc/75/17/34/1095751734.db2.gz CFCVDPGSGIXRFB-JOCQHMNTSA-N -1 1 319.401 3.003 20 10 DGCDMM O=C(NCCc1ccsc1)NCc1cccc(Cl)c1[O-] ZINC001224401050 1096201330 /nfs/dbraw/zinc/20/13/30/1096201330.db2.gz UAAXUTBLEVQYPV-UHFFFAOYSA-N -1 1 310.806 3.149 20 10 DGCDMM CN(Cc1cc(C(=O)[O-])ccc1O)Cc1ccccc1Cl ZINC001231562890 1097779582 /nfs/dbraw/zinc/77/95/82/1097779582.db2.gz AMPJQDWMXNCIBD-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM Cc1cccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233073913 1098219580 /nfs/dbraw/zinc/21/95/80/1098219580.db2.gz GNEKJDQPFYLSDR-UHFFFAOYSA-N -1 1 318.367 3.301 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)COc1ccc(C)cc1 ZINC001234476717 1098566197 /nfs/dbraw/zinc/56/61/97/1098566197.db2.gz OHFFTNHPWPHJER-GFCCVEGCSA-N -1 1 316.353 3.455 20 10 DGCDMM COc1cc(NCc2cc(Cl)cc(F)c2[O-])cnc1OC ZINC001179173484 1099035521 /nfs/dbraw/zinc/03/55/21/1099035521.db2.gz QQBICCMFCZOBIO-UHFFFAOYSA-N -1 1 312.728 3.209 20 10 DGCDMM O=C(NCc1cccc(Cl)c1O)c1ccc(Cl)cc1[O-] ZINC001180409884 1099411589 /nfs/dbraw/zinc/41/15/89/1099411589.db2.gz HPIIXUBYEDZSKM-UHFFFAOYSA-N -1 1 312.152 3.335 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC2(C1)OCCO2 ZINC001236800647 1099794943 /nfs/dbraw/zinc/79/49/43/1099794943.db2.gz XCMRABUBIQAQAA-UHFFFAOYSA-N -1 1 318.200 3.038 20 10 DGCDMM Cc1nc(CN(C)Cc2c([O-])ccc(Cl)c2Cl)no1 ZINC001237077860 1099951279 /nfs/dbraw/zinc/95/12/79/1099951279.db2.gz LENUNUVFBZMOFE-UHFFFAOYSA-N -1 1 302.161 3.022 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@H](c2ccncc2)C1 ZINC001237131059 1099986991 /nfs/dbraw/zinc/98/69/91/1099986991.db2.gz SQUZZXZLEJGMGL-HNNXBMFYSA-N -1 1 322.767 3.153 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001237950123 1100300575 /nfs/dbraw/zinc/30/05/75/1100300575.db2.gz QGEPZILXYHDCSI-MRXNPFEDSA-N -1 1 322.767 3.153 20 10 DGCDMM COC(=O)CN(Cc1cc(Cl)cc(Cl)c1[O-])CC(C)C ZINC001254019123 1106010697 /nfs/dbraw/zinc/01/06/97/1106010697.db2.gz QUKQEWVJKYEISY-UHFFFAOYSA-N -1 1 320.216 3.330 20 10 DGCDMM CNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)c(C)c1 ZINC001322234056 1107584814 /nfs/dbraw/zinc/58/48/14/1107584814.db2.gz OVGLKLKEEHUMLE-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM Cc1noc(C2CC2)c1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001325345677 1108628359 /nfs/dbraw/zinc/62/83/59/1108628359.db2.gz NWSFGXJBBMJCCZ-UHFFFAOYSA-N -1 1 318.720 3.302 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(F)c(F)c(F)c1 ZINC001305070124 1111192858 /nfs/dbraw/zinc/19/28/58/1111192858.db2.gz YPXMDNKMNKVVGJ-UHFFFAOYSA-N -1 1 315.678 3.393 20 10 DGCDMM Cc1ccc([C@@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001306607586 1111234265 /nfs/dbraw/zinc/23/42/65/1111234265.db2.gz BADIWTCBAYBOAE-NSHDSACASA-N -1 1 303.333 3.079 20 10 DGCDMM CSc1ccccc1[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001306834882 1111243265 /nfs/dbraw/zinc/24/32/65/1111243265.db2.gz RUABYFQTCVIJLG-VIFPVBQESA-N -1 1 321.373 3.450 20 10 DGCDMM O=C1CCc2ccc(NCc3cc(F)cc(F)c3[O-])cc2N1 ZINC001308320964 1111416410 /nfs/dbraw/zinc/41/64/10/1111416410.db2.gz GIYIPCRKOBALHX-UHFFFAOYSA-N -1 1 304.296 3.167 20 10 DGCDMM CC[C@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277582081 287638919 /nfs/dbraw/zinc/63/89/19/287638919.db2.gz RMEMWLKHSCZWJB-VHSXEESVSA-N -1 1 314.223 3.453 20 10 DGCDMM CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1O ZINC000276108545 432773536 /nfs/dbraw/zinc/77/35/36/432773536.db2.gz ZUELAGZGJPWHMH-GFCCVEGCSA-N -1 1 304.217 3.292 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000277565782 432861562 /nfs/dbraw/zinc/86/15/62/432861562.db2.gz PYIPVPBYCKDEPG-PJXYFTJBSA-N -1 1 324.218 3.207 20 10 DGCDMM CCC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277599937 432862771 /nfs/dbraw/zinc/86/27/71/432862771.db2.gz UCVDWNOKWBQTTL-UHFFFAOYSA-N -1 1 300.196 3.207 20 10 DGCDMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000294762127 434137438 /nfs/dbraw/zinc/13/74/38/434137438.db2.gz BHIZUIDIHLIGQF-AAEUAGOBSA-N -1 1 315.344 3.255 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](CO)c1ccccc1 ZINC000295039710 434163935 /nfs/dbraw/zinc/16/39/35/434163935.db2.gz MMJJHQAVQWOFRR-HNNXBMFYSA-N -1 1 309.768 3.350 20 10 DGCDMM COC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000159208601 522917537 /nfs/dbraw/zinc/91/75/37/522917537.db2.gz DWLTWCRUCVCKLL-UHFFFAOYSA-N -1 1 318.200 3.084 20 10 DGCDMM COCCOc1ccc(NCc2cccc(Cl)c2[O-])cn1 ZINC000158139720 524050286 /nfs/dbraw/zinc/05/02/86/524050286.db2.gz XOKCZQOZAJQZEH-UHFFFAOYSA-N -1 1 308.765 3.078 20 10 DGCDMM CC(C)C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199440 576168872 /nfs/dbraw/zinc/16/88/72/576168872.db2.gz UTSKBPLMKASEGF-UHFFFAOYSA-N -1 1 313.397 3.417 20 10 DGCDMM CC(C)C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199440 576168875 /nfs/dbraw/zinc/16/88/75/576168875.db2.gz UTSKBPLMKASEGF-UHFFFAOYSA-N -1 1 313.397 3.417 20 10 DGCDMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759455 617656347 /nfs/dbraw/zinc/65/63/47/617656347.db2.gz CBXJDIDWGDUWQR-VIFPVBQESA-N -1 1 321.808 3.196 20 10 DGCDMM C[C@@H]1CCCC[C@H]1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760585 617656994 /nfs/dbraw/zinc/65/69/94/617656994.db2.gz UHXYNRHSPYHXGA-BXUZGUMPSA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCCC1(F)F ZINC000890761361 617657145 /nfs/dbraw/zinc/65/71/45/617657145.db2.gz PNUNBNHDEONYBO-JTQLQIEISA-N -1 1 303.736 3.487 20 10 DGCDMM C[C@H]1CCCc2ncc(C(=O)NCc3cccc(Cl)c3[O-])n21 ZINC000890761251 617657264 /nfs/dbraw/zinc/65/72/64/617657264.db2.gz NVVTVFVFLWYRTB-JTQLQIEISA-N -1 1 319.792 3.069 20 10 DGCDMM O=C(C[C@H]1CCC(F)(F)C1)NCc1cccc(Cl)c1[O-] ZINC000890759993 617657343 /nfs/dbraw/zinc/65/73/43/617657343.db2.gz YEFALDCMEHQENI-SECBINFHSA-N -1 1 303.736 3.487 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000890763564 617659087 /nfs/dbraw/zinc/65/90/87/617659087.db2.gz YIXBPJOGHQRSJN-CYBMUJFWSA-N -1 1 311.809 3.257 20 10 DGCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])CC(F)(F)F ZINC000895366787 618603612 /nfs/dbraw/zinc/60/36/12/618603612.db2.gz NJHBFEIJPGHWIC-QMMMGPOBSA-N -1 1 324.730 3.433 20 10 DGCDMM Cc1ccncc1[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893971264 618685362 /nfs/dbraw/zinc/68/53/62/618685362.db2.gz LDBMXXDEZBLYFG-LLVKDONJSA-N -1 1 319.792 3.309 20 10 DGCDMM Cc1ccsc1CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893996348 618688803 /nfs/dbraw/zinc/68/88/03/618688803.db2.gz AOMDYUXNEORHCT-UHFFFAOYSA-N -1 1 324.833 3.457 20 10 DGCDMM CCC[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])OCC ZINC000895953628 618854581 /nfs/dbraw/zinc/85/45/81/618854581.db2.gz ZRGCFRFDSPQDNO-LBPRGKRZSA-N -1 1 314.813 3.050 20 10 DGCDMM Cn1nc(CNCc2cccc(Cl)c2[O-])cc1C(F)(F)F ZINC000898021636 619206890 /nfs/dbraw/zinc/20/68/90/619206890.db2.gz OXJMXNQOOXOJDM-UHFFFAOYSA-N -1 1 319.714 3.088 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1c(F)cccc1OC(F)(F)F ZINC000789128429 625367990 /nfs/dbraw/zinc/36/79/90/625367990.db2.gz SXMNEVREDXVGBV-YWEYNIOJSA-N -1 1 323.292 3.213 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCC2(CCCC2)CC1 ZINC000857305340 621078309 /nfs/dbraw/zinc/07/83/09/621078309.db2.gz DDTLUEJPYWHYIF-UHFFFAOYSA-N -1 1 307.365 3.423 20 10 DGCDMM CN(C[C@H]1CCc2ccccc21)C(=O)c1c(F)ccc(O)c1[O-] ZINC000857334893 621080782 /nfs/dbraw/zinc/08/07/82/621080782.db2.gz FRUBKPITGJVVFL-GFCCVEGCSA-N -1 1 315.344 3.039 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)[C@@H]2C)c1[O-] ZINC000763415376 622144230 /nfs/dbraw/zinc/14/42/30/622144230.db2.gz JKIFWPZROZAMOY-NSHDSACASA-N -1 1 311.809 3.248 20 10 DGCDMM CCC1(c2ccccc2)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839797350 622216683 /nfs/dbraw/zinc/21/66/83/622216683.db2.gz NRMAFYIJWTYWAH-UHFFFAOYSA-N -1 1 315.344 3.041 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1cncc(Cl)n1 ZINC000764934341 622234141 /nfs/dbraw/zinc/23/41/41/622234141.db2.gz LIYFOBYOVOIELH-UHFFFAOYSA-N -1 1 314.570 3.210 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)[nH]1 ZINC000765730475 622284489 /nfs/dbraw/zinc/28/44/89/622284489.db2.gz BQSMJRYVYUBHAU-UHFFFAOYSA-N -1 1 323.190 3.030 20 10 DGCDMM CCCC1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765748670 622284719 /nfs/dbraw/zinc/28/47/19/622284719.db2.gz ZPQQPYDELLTCJS-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000789761930 625563190 /nfs/dbraw/zinc/56/31/90/625563190.db2.gz MOXJROFFFQZLKG-CYBMUJFWSA-N -1 1 307.752 3.108 20 10 DGCDMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1c(F)ccc(O)c1[O-] ZINC000789963123 625587633 /nfs/dbraw/zinc/58/76/33/625587633.db2.gz IDAZQEOQHRZCQF-GFCCVEGCSA-N -1 1 321.735 3.308 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000789980230 625590893 /nfs/dbraw/zinc/59/08/93/625590893.db2.gz WWESEWSDCYSCBD-QGZVFWFLSA-N -1 1 305.349 3.199 20 10 DGCDMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789986969 625591678 /nfs/dbraw/zinc/59/16/78/625591678.db2.gz NYDCVTXBBQFWKF-GFCCVEGCSA-N -1 1 317.360 3.215 20 10 DGCDMM CCn1ncc(NCc2cccc(Br)c2[O-])c1C ZINC000873195446 623070217 /nfs/dbraw/zinc/07/02/17/623070217.db2.gz FVHYNVAOCKDKEK-UHFFFAOYSA-N -1 1 310.195 3.292 20 10 DGCDMM CN(CC(=O)N(C)C1CCCCC1)Cc1cccc(Cl)c1[O-] ZINC000775652796 623304440 /nfs/dbraw/zinc/30/44/40/623304440.db2.gz UMJKEXFLDMHHIB-UHFFFAOYSA-N -1 1 324.852 3.269 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cccc(Cl)c1F ZINC000780837313 623988984 /nfs/dbraw/zinc/98/89/84/623988984.db2.gz FXGCMGTYYGRYAL-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM Cc1cc(Br)c(O)c(C[N@H+]2CCCOC[C@@H]2C)c1 ZINC000781914740 624170573 /nfs/dbraw/zinc/17/05/73/624170573.db2.gz ZHWWCGRPKKCQFR-NSHDSACASA-N -1 1 314.223 3.074 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(F)cc1Br ZINC000128671874 625082032 /nfs/dbraw/zinc/08/20/32/625082032.db2.gz ZOQFBEOMPOSQHX-FPYGCLRLSA-N -1 1 318.192 3.077 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1O[C@@H]1CCOC1 ZINC000883042307 625907933 /nfs/dbraw/zinc/90/79/33/625907933.db2.gz SBHWLMBZWFDGQH-CYBMUJFWSA-N -1 1 321.323 3.450 20 10 DGCDMM COCc1ccc(NCc2cc(F)cc(F)c2[O-])cc1OC ZINC000883191204 625963347 /nfs/dbraw/zinc/96/33/47/625963347.db2.gz WPYWIOLXKXSCTJ-UHFFFAOYSA-N -1 1 309.312 3.438 20 10 DGCDMM CC[C@H](NCc1cnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806168661 626703483 /nfs/dbraw/zinc/70/34/83/626703483.db2.gz WGZZNSZRCCSULR-NSHDSACASA-N -1 1 315.204 3.068 20 10 DGCDMM CC[C@H](NCc1nn(CC)nc1C)c1cccc(Cl)c1[O-] ZINC000818347192 628017024 /nfs/dbraw/zinc/01/70/24/628017024.db2.gz YBOQQXLAGJNSEO-ZDUSSCGKSA-N -1 1 308.813 3.206 20 10 DGCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC000834162431 629675796 /nfs/dbraw/zinc/67/57/96/629675796.db2.gz WQHBNNNLQBJQTD-AGUYFDCRSA-N -1 1 324.808 3.199 20 10 DGCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC000834162431 629675797 /nfs/dbraw/zinc/67/57/97/629675797.db2.gz WQHBNNNLQBJQTD-AGUYFDCRSA-N -1 1 324.808 3.199 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000834475814 629715609 /nfs/dbraw/zinc/71/56/09/629715609.db2.gz DZGUQJMTOMLCQP-JLLWLGSASA-N -1 1 324.218 3.207 20 10 DGCDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000844933470 630990887 /nfs/dbraw/zinc/99/08/87/630990887.db2.gz FYMPTVFZTZPTQT-RDDDGLTNSA-N -1 1 304.173 3.137 20 10 DGCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCC(C)C ZINC000005128451 660386958 /nfs/dbraw/zinc/38/69/58/660386958.db2.gz ZUPQUUFJQQJQOI-QPEQYQDCSA-N -1 1 323.439 3.219 20 10 DGCDMM CO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708135156 660918528 /nfs/dbraw/zinc/91/85/28/660918528.db2.gz WRCOXPLFRYXPLO-SNVBAGLBSA-N -1 1 320.614 3.029 20 10 DGCDMM Cc1ccc(OC(F)F)c(C=C2SC(=S)[N-]C2=O)c1 ZINC000176902246 655863280 /nfs/dbraw/zinc/86/32/80/655863280.db2.gz RRXFEGMOYAYELL-WEVVVXLNSA-N -1 1 301.339 3.085 20 10 DGCDMM CCn1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000715814881 661214934 /nfs/dbraw/zinc/21/49/34/661214934.db2.gz TWJFOESOFFJTKV-UHFFFAOYSA-N -1 1 314.158 3.122 20 10 DGCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188412273 656146035 /nfs/dbraw/zinc/14/60/35/656146035.db2.gz IKSIPSCVGWVVAD-UHFFFAOYSA-N -1 1 310.353 3.022 20 10 DGCDMM C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000173523358 659391535 /nfs/dbraw/zinc/39/15/35/659391535.db2.gz HNEQSEMKHYJQLK-CYBMUJFWSA-N -1 1 311.381 3.313 20 10 DGCDMM C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000173523358 659391540 /nfs/dbraw/zinc/39/15/40/659391540.db2.gz HNEQSEMKHYJQLK-CYBMUJFWSA-N -1 1 311.381 3.313 20 10 DGCDMM C[C@H]1CSCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000179664099 659938012 /nfs/dbraw/zinc/93/80/12/659938012.db2.gz QTWWDVWLRNPXTH-VIFPVBQESA-N -1 1 302.237 3.092 20 10 DGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000189425920 661978102 /nfs/dbraw/zinc/97/81/02/661978102.db2.gz GRCKRKYMKLPPNA-UHFFFAOYSA-N -1 1 313.325 3.034 20 10 DGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000189435050 661978380 /nfs/dbraw/zinc/97/83/80/661978380.db2.gz QFRGKENOGXTYDH-UHFFFAOYSA-N -1 1 313.325 3.034 20 10 DGCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1C(=O)[O-] ZINC000380164203 685151685 /nfs/dbraw/zinc/15/16/85/685151685.db2.gz ZYRZKXKSDMGCRH-KCJUWKMLSA-N -1 1 318.200 3.242 20 10 DGCDMM O=C(NCc1c(O)ccc2ccccc21)c1cc(F)ccc1[O-] ZINC001597736939 1192744718 /nfs/dbraw/zinc/74/47/18/1192744718.db2.gz PIKGAQSFAAJPHP-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM O=C(CNc1ccc(-c2ccno2)cc1)c1ccc([O-])c(O)c1 ZINC001170314769 1177732862 /nfs/dbraw/zinc/73/28/62/1177732862.db2.gz HVFUWBHYAZYOFH-UHFFFAOYSA-N -1 1 310.309 3.048 20 10 DGCDMM COc1cccc(F)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336082910 1178991174 /nfs/dbraw/zinc/99/11/74/1178991174.db2.gz GKQWKIASYHDJPM-SNVBAGLBSA-N -1 1 320.320 3.299 20 10 DGCDMM O=C([O-])CCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC001602044008 1192956338 /nfs/dbraw/zinc/95/63/38/1192956338.db2.gz DTENTOQJPYGODJ-UHFFFAOYSA-N -1 1 307.296 3.300 20 10 DGCDMM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1O)CC3 ZINC001602407840 1192977683 /nfs/dbraw/zinc/97/76/83/1192977683.db2.gz UIBPHGVEEKULBV-UHFFFAOYSA-N -1 1 322.364 3.130 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC=C(c2ccccc2)C1 ZINC001457802081 1182482613 /nfs/dbraw/zinc/48/26/13/1182482613.db2.gz CYFODLKKHBCISL-UHFFFAOYSA-N -1 1 313.328 3.166 20 10 DGCDMM CC(C)C[C@H](NCc1cc(F)c(F)cc1[O-])C(=O)OC(C)C ZINC001462122348 1182909898 /nfs/dbraw/zinc/90/98/98/1182909898.db2.gz CGLOCWVKDYHSNR-AWEZNQCLSA-N -1 1 315.360 3.126 20 10 DGCDMM CN(C)c1cc(F)c(CNCc2ccc(C(=O)[O-])cc2)cc1F ZINC001606049539 1193188578 /nfs/dbraw/zinc/18/85/78/1193188578.db2.gz ACAYCWOUFZPDEG-UHFFFAOYSA-N -1 1 320.339 3.019 20 10 DGCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1cccc([O-])c1F ZINC001464076920 1183069301 /nfs/dbraw/zinc/06/93/01/1183069301.db2.gz UPIRZWFOVXCZAS-UHFFFAOYSA-N -1 1 314.360 3.062 20 10 DGCDMM Cc1cccc(COCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001606867754 1193206537 /nfs/dbraw/zinc/20/65/37/1193206537.db2.gz CIZIAIHYMAFZNJ-UHFFFAOYSA-N -1 1 319.788 3.187 20 10 DGCDMM O=C(NCc1c(O)ccc2ccccc21)c1cccc([O-])c1F ZINC001472085319 1183614777 /nfs/dbraw/zinc/61/47/77/1183614777.db2.gz QBJUOFNHIIPQSQ-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM CC[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC001472499473 1183649154 /nfs/dbraw/zinc/64/91/54/1183649154.db2.gz MNWXEQKEFGNHHZ-LLVKDONJSA-N -1 1 303.333 3.161 20 10 DGCDMM COc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001653563849 1195734553 /nfs/dbraw/zinc/73/45/53/1195734553.db2.gz PUOACUQCKOEAHB-UHFFFAOYSA-N -1 1 309.724 3.123 20 10 DGCDMM Cc1cccc(CCNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001477735500 1184109182 /nfs/dbraw/zinc/10/91/82/1184109182.db2.gz CESOODXNWKLCDV-UHFFFAOYSA-N -1 1 318.804 3.396 20 10 DGCDMM COC[C@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249627 1193379564 /nfs/dbraw/zinc/37/95/64/1193379564.db2.gz RJVCKQFVZWPTCT-RISCZKNCSA-N -1 1 319.357 3.030 20 10 DGCDMM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001610741884 1193406299 /nfs/dbraw/zinc/40/62/99/1193406299.db2.gz IWYAGRPEWWBUBV-LBPRGKRZSA-N -1 1 301.745 3.014 20 10 DGCDMM CCc1ccccc1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC001558757102 1189146280 /nfs/dbraw/zinc/14/62/80/1189146280.db2.gz PCLIKIIFKIUUSM-UHFFFAOYSA-N -1 1 319.788 3.303 20 10 DGCDMM CC(=O)c1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1C ZINC001558757872 1189146343 /nfs/dbraw/zinc/14/63/43/1189146343.db2.gz WEBIDYICUHZSRR-UHFFFAOYSA-N -1 1 317.772 3.487 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2c(c1)COC2 ZINC001558756836 1189146706 /nfs/dbraw/zinc/14/67/06/1189146706.db2.gz DIDLUNUIDJSRIG-UHFFFAOYSA-N -1 1 303.745 3.006 20 10 DGCDMM CN(C)c1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001637219226 1194658200 /nfs/dbraw/zinc/65/82/00/1194658200.db2.gz YSSRQRCRIOHRGU-UHFFFAOYSA-N -1 1 304.777 3.042 20 10 DGCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(F)c1F ZINC001648669818 1195320879 /nfs/dbraw/zinc/32/08/79/1195320879.db2.gz UCUADGAVJBXWFG-SSDOTTSWSA-N -1 1 311.259 3.006 20 10 DGCDMM CCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654285890 1195791005 /nfs/dbraw/zinc/79/10/05/1195791005.db2.gz DECSBTGXSQBOCP-ZDUSSCGKSA-N -1 1 317.360 3.378 20 10 DGCDMM O=C([O-])[C@@H]1CCN(Cc2ccc(F)c(F)c2O)c2ccccc21 ZINC001594933694 954840858 /nfs/dbraw/zinc/84/08/58/954840858.db2.gz HLZZYVXDBZKVBZ-GFCCVEGCSA-N -1 1 319.307 3.249 20 10 DGCDMM C[C@H](NCc1ccc(Cl)cc1O)c1ncc(C(=O)[O-])s1 ZINC001593300068 994727878 /nfs/dbraw/zinc/72/78/78/994727878.db2.gz ZOKWXCYTRKHSBO-ZETCQYMHSA-N -1 1 312.778 3.051 20 10 DGCDMM C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ncc(C(=O)[O-])s1 ZINC001593300068 994727884 /nfs/dbraw/zinc/72/78/84/994727884.db2.gz ZOKWXCYTRKHSBO-ZETCQYMHSA-N -1 1 312.778 3.051 20 10 DGCDMM O=C(CNc1ccc2[nH]c(C3CC3)cc2n1)c1ccc([O-])c(O)c1 ZINC001170316187 1082344740 /nfs/dbraw/zinc/34/47/40/1082344740.db2.gz NXDQLGNQJXIFDZ-UHFFFAOYSA-N -1 1 323.352 3.146 20 10 DGCDMM Cc1c(F)c(F)cc(NCC(=O)c2ccc([O-])c(O)c2)c1F ZINC001170322183 1082346388 /nfs/dbraw/zinc/34/63/88/1082346388.db2.gz GLEIOONRQXFERF-UHFFFAOYSA-N -1 1 311.259 3.118 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCc2ncc(Cl)cc2C1 ZINC001142527194 1087278222 /nfs/dbraw/zinc/27/82/22/1087278222.db2.gz NUQWNBONNIQUNL-UHFFFAOYSA-N -1 1 310.731 3.277 20 10 DGCDMM O=C(CCc1ccc(O)cc1)NCc1cccc(Cl)c1[O-] ZINC001159041710 1088155165 /nfs/dbraw/zinc/15/51/65/1088155165.db2.gz YYBMGCRKTFOQKN-UHFFFAOYSA-N -1 1 305.761 3.000 20 10 DGCDMM O=C(CNc1ccc2ccc(F)cc2n1)c1ccc([O-])c(O)c1 ZINC001159280542 1088266906 /nfs/dbraw/zinc/26/69/06/1088266906.db2.gz WRHKPKWLMRSQFV-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM Cc1cc(Cl)c(C)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279187 1088268386 /nfs/dbraw/zinc/26/83/86/1088268386.db2.gz LATVOQKGXRWWLH-UHFFFAOYSA-N -1 1 306.749 3.058 20 10 DGCDMM O=C(NCc1cc(Cl)ccc1O)c1c([O-])cccc1Cl ZINC001165508120 1090526613 /nfs/dbraw/zinc/52/66/13/1090526613.db2.gz LIMFJMUNYYZDQY-UHFFFAOYSA-N -1 1 312.152 3.335 20 10 DGCDMM Cc1cc(CN(C)Cc2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC001203579901 1090760422 /nfs/dbraw/zinc/76/04/22/1090760422.db2.gz HDWQMIXFGHFGCD-UHFFFAOYSA-N -1 1 314.216 3.373 20 10 DGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1Cc2ccccc2C1 ZINC001139126542 1091456507 /nfs/dbraw/zinc/45/65/07/1091456507.db2.gz JGEWLHWXWKYIND-UHFFFAOYSA-N -1 1 307.349 3.323 20 10 DGCDMM Cc1nc([C@@H]2COCCN2Cc2c([O-])cccc2Cl)cs1 ZINC001140339442 1091833666 /nfs/dbraw/zinc/83/36/66/1091833666.db2.gz UZVSHTNFTMYWCJ-AWEZNQCLSA-N -1 1 324.833 3.384 20 10 DGCDMM [O-]c1cc(Cl)ccc1CN1[C@H](CO)CCC[C@H]1C(F)(F)F ZINC001140461419 1091874166 /nfs/dbraw/zinc/87/41/66/1091874166.db2.gz LVVXMKDBJXULAU-AAEUAGOBSA-N -1 1 323.742 3.323 20 10 DGCDMM CN1CCN(Cc2c([O-])cc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001140580358 1091917458 /nfs/dbraw/zinc/91/74/58/1091917458.db2.gz YYVFJHPRHRZVFX-KRWDZBQOSA-N -1 1 318.367 3.159 20 10 DGCDMM Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)nc1 ZINC001142530186 1092493875 /nfs/dbraw/zinc/49/38/75/1092493875.db2.gz ADUCVBZDWSVOJP-ZDUSSCGKSA-N -1 1 320.339 3.027 20 10 DGCDMM Cc1cc(C)c(CNC(=O)c2ccc3cccnc3c2[O-])c(O)c1 ZINC001149327465 1092679893 /nfs/dbraw/zinc/67/98/93/1092679893.db2.gz AYVBDKSCOYIGIM-UHFFFAOYSA-N -1 1 322.364 3.193 20 10 DGCDMM CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137837560 1095761243 /nfs/dbraw/zinc/76/12/43/1095761243.db2.gz LUUYTQPTTRJENK-CQSZACIVSA-N -1 1 309.381 3.228 20 10 DGCDMM O=C([O-])c1ccc(CN2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001231455507 1097753702 /nfs/dbraw/zinc/75/37/02/1097753702.db2.gz QLCWXIFPXRNJMQ-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cscn3)c([O-])cc21 ZINC001175944274 1098201470 /nfs/dbraw/zinc/20/14/70/1098201470.db2.gz MFJLYRYKPAHBFY-UHFFFAOYSA-N -1 1 322.345 3.368 20 10 DGCDMM COc1cccc2c1CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233079201 1098220898 /nfs/dbraw/zinc/22/08/98/1098220898.db2.gz ZGGZGHILEUTLTH-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM COc1cccc2c1CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233331717 1098292707 /nfs/dbraw/zinc/29/27/07/1098292707.db2.gz IFKOQOPFCQJMJR-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM [O-]c1c(CN2CCCCC23COC3)cccc1C(F)(F)F ZINC001233418854 1098322912 /nfs/dbraw/zinc/32/29/12/1098322912.db2.gz YVHVAOUCARFCPZ-UHFFFAOYSA-N -1 1 301.308 3.166 20 10 DGCDMM CC(C)[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001233419257 1098326073 /nfs/dbraw/zinc/32/60/73/1098326073.db2.gz PZTXDJDSVKTLLN-ZDUSSCGKSA-N -1 1 303.324 3.268 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cnn(C)c1C ZINC001233495744 1098351019 /nfs/dbraw/zinc/35/10/19/1098351019.db2.gz RKEIFNAFMDMMQH-LLVKDONJSA-N -1 1 318.373 3.263 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(-n2cccn2)c1 ZINC001178046063 1098686997 /nfs/dbraw/zinc/68/69/97/1098686997.db2.gz HEJIOKLCMJHQSV-UHFFFAOYSA-N -1 1 301.296 3.468 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(Cl)ncc1F ZINC001180419625 1099416861 /nfs/dbraw/zinc/41/68/61/1099416861.db2.gz BLMIPUMLBXCOEW-UHFFFAOYSA-N -1 1 315.131 3.163 20 10 DGCDMM C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)[C@H]1CO ZINC001236794142 1099788866 /nfs/dbraw/zinc/78/88/66/1099788866.db2.gz QEEATGNXDMPRRV-RNCFNFMXSA-N -1 1 304.217 3.292 20 10 DGCDMM CCOC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236797645 1099791198 /nfs/dbraw/zinc/79/11/98/1099791198.db2.gz CZKRWIICFJEQJS-LBPRGKRZSA-N -1 1 318.200 3.227 20 10 DGCDMM COc1ccc(CN2CCc3cc(O)ccc3C2)c([O-])c1Cl ZINC001236802268 1099798107 /nfs/dbraw/zinc/79/81/07/1099798107.db2.gz QYWLHHKHZIHECF-UHFFFAOYSA-N -1 1 319.788 3.318 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC2(C1)OCCO2 ZINC001237085044 1099964350 /nfs/dbraw/zinc/96/43/50/1099964350.db2.gz SSXSZXAKXMPPME-UHFFFAOYSA-N -1 1 318.200 3.038 20 10 DGCDMM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1(F)F ZINC001237085260 1099964642 /nfs/dbraw/zinc/96/46/42/1099964642.db2.gz WWIWQCUUFJWBCV-UHFFFAOYSA-N -1 1 310.127 3.109 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCO[C@H](c2ccccn2)C1 ZINC001237125825 1099983554 /nfs/dbraw/zinc/98/35/54/1099983554.db2.gz FSJBDSAVIUHVMW-HNNXBMFYSA-N -1 1 322.767 3.153 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CC(Oc2ccccc2)C1 ZINC001237936809 1100297479 /nfs/dbraw/zinc/29/74/79/1100297479.db2.gz MRJPUJRJBPOKAR-UHFFFAOYSA-N -1 1 307.752 3.448 20 10 DGCDMM C[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CCC1(F)F ZINC001193218452 1100717347 /nfs/dbraw/zinc/71/73/47/1100717347.db2.gz ACIWWBQXAXCPNB-MRVPVSSYSA-N -1 1 319.735 3.259 20 10 DGCDMM O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(O)c([O-])c1Cl ZINC001193236696 1100719666 /nfs/dbraw/zinc/71/96/66/1100719666.db2.gz NKUPVIGPWFPGHI-UHFFFAOYSA-N -1 1 321.804 3.306 20 10 DGCDMM COC(=O)Nc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001199554620 1102157318 /nfs/dbraw/zinc/15/73/18/1102157318.db2.gz UCXOJJYEBBHZIF-UHFFFAOYSA-N -1 1 308.284 3.461 20 10 DGCDMM CC(=O)N1CCc2c1cccc2NCc1cc(F)cc(F)c1[O-] ZINC001202092334 1102825217 /nfs/dbraw/zinc/82/52/17/1102825217.db2.gz GPFUGPCZGPWSNL-UHFFFAOYSA-N -1 1 318.323 3.192 20 10 DGCDMM CCc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001255084922 1106175316 /nfs/dbraw/zinc/17/53/16/1106175316.db2.gz IOENLCKPRFMBRY-UHFFFAOYSA-N -1 1 313.325 3.034 20 10 DGCDMM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC001256316684 1106405022 /nfs/dbraw/zinc/40/50/22/1106405022.db2.gz NXGIMPJTBQYCOI-UHFFFAOYSA-N -1 1 311.790 3.463 20 10 DGCDMM Cc1cc(C)cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001259524534 1107159429 /nfs/dbraw/zinc/15/94/29/1107159429.db2.gz WPONQMQQONHUIQ-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM CC(=O)Nc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])nc1 ZINC001321037573 1107231044 /nfs/dbraw/zinc/23/10/44/1107231044.db2.gz NXWZVMYVCASLCP-QMMMGPOBSA-N -1 1 307.300 3.197 20 10 DGCDMM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC001260740009 1107310039 /nfs/dbraw/zinc/31/00/39/1107310039.db2.gz NYTYABCMAIFVCR-ZDUSSCGKSA-N -1 1 317.410 3.458 20 10 DGCDMM Cc1cccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)c1C ZINC001260997915 1107338607 /nfs/dbraw/zinc/33/86/07/1107338607.db2.gz JRCZFPDPYGDCQB-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM CN(Cc1nc2ccccc2n1C)Cc1cc(F)c(F)cc1[O-] ZINC001308633651 1111453812 /nfs/dbraw/zinc/45/38/12/1111453812.db2.gz LRDLSCFWHDEOEJ-UHFFFAOYSA-N -1 1 317.339 3.189 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1C[C@@H]1c1ccccc1 ZINC001312615302 1111662633 /nfs/dbraw/zinc/66/26/33/1111662633.db2.gz HRELDZYNYVIQPH-HIFRSBDPSA-N -1 1 316.788 3.401 20 10 DGCDMM CC(C)C(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277427239 432849085 /nfs/dbraw/zinc/84/90/85/432849085.db2.gz DKEAJYBCFIEHPN-UHFFFAOYSA-N -1 1 314.223 3.453 20 10 DGCDMM O=C(Nc1ccc(Br)cc1[O-])C1=CC(=O)CS1 ZINC000732271027 574569520 /nfs/dbraw/zinc/56/95/20/574569520.db2.gz NFIZUBGLAYHADE-UHFFFAOYSA-N -1 1 314.160 3.174 20 10 DGCDMM C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493654 574848333 /nfs/dbraw/zinc/84/83/33/574848333.db2.gz HEZQYDCNWSTRSR-HNNXBMFYSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCC1 ZINC000742172841 574983817 /nfs/dbraw/zinc/98/38/17/574983817.db2.gz HEAVRZLRYMSWHQ-UHFFFAOYSA-N -1 1 311.381 3.313 20 10 DGCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCC1 ZINC000742172841 574983818 /nfs/dbraw/zinc/98/38/18/574983818.db2.gz HEAVRZLRYMSWHQ-UHFFFAOYSA-N -1 1 311.381 3.313 20 10 DGCDMM CC(C)C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])n1ccnc1 ZINC000890760839 617656931 /nfs/dbraw/zinc/65/69/31/617656931.db2.gz APOCFSNIGHOZPX-AWEZNQCLSA-N -1 1 321.808 3.146 20 10 DGCDMM C[C@H]1CCC[C@@H](OCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890760553 617657011 /nfs/dbraw/zinc/65/70/11/617657011.db2.gz SXMJHTNPLMYZPH-WCQYABFASA-N -1 1 311.809 3.257 20 10 DGCDMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000890760260 617657023 /nfs/dbraw/zinc/65/70/23/617657023.db2.gz MIKZZNQZNQWORG-LLVKDONJSA-N -1 1 304.777 3.251 20 10 DGCDMM CC1(/C=C/C(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000890760931 617657039 /nfs/dbraw/zinc/65/70/39/617657039.db2.gz FCWFFVFVTKAMKK-AATRIKPKSA-N -1 1 309.793 3.035 20 10 DGCDMM CC(=O)[C@@H](C)CCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760510 617657137 /nfs/dbraw/zinc/65/71/37/617657137.db2.gz RPVPDZGEEFALNO-NSHDSACASA-N -1 1 311.809 3.447 20 10 DGCDMM C[C@H]1CCCC[C@H]1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760588 617657257 /nfs/dbraw/zinc/65/72/57/617657257.db2.gz UHXYNRHSPYHXGA-SMDDNHRTSA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(CC2CC2)s1 ZINC000890763161 617658487 /nfs/dbraw/zinc/65/84/87/617658487.db2.gz PJQNEULVNSLSEJ-UHFFFAOYSA-N -1 1 322.817 3.385 20 10 DGCDMM CC(C)(C)c1ccnc(SCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000920057162 620779288 /nfs/dbraw/zinc/77/92/88/620779288.db2.gz FPNWGJDEUFJKGN-UHFFFAOYSA-N -1 1 318.398 3.160 20 10 DGCDMM CCc1cnccc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894061933 618702662 /nfs/dbraw/zinc/70/26/62/618702662.db2.gz RDOCAKJQMZXQKW-UHFFFAOYSA-N -1 1 319.792 3.002 20 10 DGCDMM CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(Cl)c1[O-] ZINC000897391853 619102435 /nfs/dbraw/zinc/10/24/35/619102435.db2.gz CQHDWWKVPCLCEU-UHFFFAOYSA-N -1 1 310.741 3.091 20 10 DGCDMM O=C(NCCC1CCC(F)(F)CC1)c1c(F)ccc(O)c1[O-] ZINC000900828361 619453785 /nfs/dbraw/zinc/45/37/85/619453785.db2.gz MCKWGKJYYGKURL-UHFFFAOYSA-N -1 1 317.307 3.182 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1nccnc1C1CC1 ZINC000902167070 619598349 /nfs/dbraw/zinc/59/83/49/619598349.db2.gz ZORNSPVJJOTTJS-UHFFFAOYSA-N -1 1 320.190 3.434 20 10 DGCDMM CCN(CC)c1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000756309721 621626854 /nfs/dbraw/zinc/62/68/54/621626854.db2.gz YGINVBQVHNDDSY-UHFFFAOYSA-N -1 1 302.374 3.114 20 10 DGCDMM C[C@H](NCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756777802 621663697 /nfs/dbraw/zinc/66/36/97/621663697.db2.gz LDRSVLOSMAHPFD-QMMMGPOBSA-N -1 1 300.189 3.283 20 10 DGCDMM COc1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000757918225 621746742 /nfs/dbraw/zinc/74/67/42/621746742.db2.gz YEXVUCBRSIRXGG-UHFFFAOYSA-N -1 1 310.756 3.220 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000867830517 622186715 /nfs/dbraw/zinc/18/67/15/622186715.db2.gz BBYNYTVLHRSFMD-KLHWPWHYSA-N -1 1 324.218 3.063 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccccc1 ZINC000765209551 622252290 /nfs/dbraw/zinc/25/22/90/622252290.db2.gz AIGRSJDYVKMJGP-UHFFFAOYSA-N -1 1 321.174 3.476 20 10 DGCDMM CCC[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765765872 622286003 /nfs/dbraw/zinc/28/60/03/622286003.db2.gz UFUGUUUXJIEDJT-SECBINFHSA-N -1 1 300.196 3.207 20 10 DGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000767876659 622425575 /nfs/dbraw/zinc/42/55/75/622425575.db2.gz RCUFQXMSVJIDKG-UHFFFAOYSA-N -1 1 316.376 3.260 20 10 DGCDMM O=C(NC[C@@H]1CCCc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000789954060 625586101 /nfs/dbraw/zinc/58/61/01/625586101.db2.gz AQOVQCMXHSFEEO-LBPRGKRZSA-N -1 1 315.344 3.087 20 10 DGCDMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000775412203 623271995 /nfs/dbraw/zinc/27/19/95/623271995.db2.gz UXKUQIYTJOYAGH-LLVKDONJSA-N -1 1 302.349 3.088 20 10 DGCDMM CC[C@H](NCc1cn(C)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552025 623288648 /nfs/dbraw/zinc/28/86/48/623288648.db2.gz RQJKRQPDYGRUPG-NSHDSACASA-N -1 1 315.204 3.068 20 10 DGCDMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(F)c1[O-] ZINC000778519607 623663588 /nfs/dbraw/zinc/66/35/88/623663588.db2.gz JHRFUJRNVRYESC-CQSZACIVSA-N -1 1 306.724 3.381 20 10 DGCDMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(F)c1[O-] ZINC000778523595 623663645 /nfs/dbraw/zinc/66/36/45/623663645.db2.gz BMHANCUCZUSBFF-HNNXBMFYSA-N -1 1 306.381 3.075 20 10 DGCDMM Cn1cc(C(F)F)c(CNCc2cc(Cl)cc(F)c2[O-])n1 ZINC000877734490 624008487 /nfs/dbraw/zinc/00/84/87/624008487.db2.gz VAOVPFRCEAQMDS-UHFFFAOYSA-N -1 1 319.714 3.146 20 10 DGCDMM Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)c(F)cc1[O-])N2 ZINC000877862063 624073456 /nfs/dbraw/zinc/07/34/56/624073456.db2.gz GGXCVOWMNFLACP-AWEZNQCLSA-N -1 1 306.724 3.347 20 10 DGCDMM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000781896679 624166647 /nfs/dbraw/zinc/16/66/47/624166647.db2.gz MHZLNPLZXSLCOL-GFCCVEGCSA-N -1 1 314.223 3.074 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000782630225 624268941 /nfs/dbraw/zinc/26/89/41/624268941.db2.gz ZAKQSBGVDKLPPN-HOSYDEDBSA-N -1 1 311.809 3.246 20 10 DGCDMM O=C(COC(=O)C1CCCCCCC1)c1ccc([O-])c(O)c1 ZINC000783840001 624399366 /nfs/dbraw/zinc/39/93/66/624399366.db2.gz YQRXHEUXWRJBLJ-UHFFFAOYSA-N -1 1 306.358 3.184 20 10 DGCDMM CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)[N-]C1=O ZINC000787166548 624984339 /nfs/dbraw/zinc/98/43/39/624984339.db2.gz ATXFFAWOTQUQJJ-CWQCMXISSA-N -1 1 306.368 3.030 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cnn(-c2ccccn2)c1 ZINC000790980533 625728683 /nfs/dbraw/zinc/72/86/83/625728683.db2.gz AUBAHGYNTCBJSU-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(N2CCOCC2)c1 ZINC000882909230 625855206 /nfs/dbraw/zinc/85/52/06/625855206.db2.gz OXTHBTLAXXLIKG-UHFFFAOYSA-N -1 1 320.339 3.119 20 10 DGCDMM O=C(COC(=O)C(C1CCC1)C1CCC1)c1ccc([O-])c(O)c1 ZINC000803788364 626639830 /nfs/dbraw/zinc/63/98/30/626639830.db2.gz QGIRMIZKZGSUFS-UHFFFAOYSA-N -1 1 318.369 3.040 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2c(F)cc(F)cc2F)c1 ZINC000815152681 627638557 /nfs/dbraw/zinc/63/85/57/627638557.db2.gz YGAHORJXZCTOKI-UHFFFAOYSA-N -1 1 312.247 3.008 20 10 DGCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])c(OC)n1 ZINC000816557925 627807821 /nfs/dbraw/zinc/80/78/21/627807821.db2.gz GVUBQOHFVRKCOK-UHFFFAOYSA-N -1 1 312.728 3.209 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cnc2c(c1)COCC2 ZINC000816560825 627808210 /nfs/dbraw/zinc/80/82/10/627808210.db2.gz BIVUKSLPHMPVFS-UHFFFAOYSA-N -1 1 308.740 3.265 20 10 DGCDMM O=C1NCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816564141 627808504 /nfs/dbraw/zinc/80/85/04/627808504.db2.gz VVQRVMACJPZRFH-UHFFFAOYSA-N -1 1 306.724 3.040 20 10 DGCDMM CC(C)n1cc(C(C)(C)NCc2cccc(Cl)c2[O-])nn1 ZINC000817420288 627898380 /nfs/dbraw/zinc/89/83/80/627898380.db2.gz QEIIJHHUVQUXOI-UHFFFAOYSA-N -1 1 308.813 3.243 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817596685 627928244 /nfs/dbraw/zinc/92/82/44/627928244.db2.gz MZHIJEXYMMNTIC-CKYFFXLPSA-N -1 1 324.218 3.207 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817596689 627928733 /nfs/dbraw/zinc/92/87/33/627928733.db2.gz MZHIJEXYMMNTIC-UMNHJUIQSA-N -1 1 324.218 3.207 20 10 DGCDMM C[C@@H](Nc1ccc(COCCO)cc1)c1cc(F)cc(F)c1[O-] ZINC000818362054 628018850 /nfs/dbraw/zinc/01/88/50/628018850.db2.gz OWCZWDNQFMGGDH-LLVKDONJSA-N -1 1 323.339 3.352 20 10 DGCDMM O=C(NCc1cc2c(s1)CCCC2)c1c(F)ccc(O)c1[O-] ZINC000825493110 628768137 /nfs/dbraw/zinc/76/81/37/628768137.db2.gz KHFLEZHKRUOUFR-UHFFFAOYSA-N -1 1 321.373 3.107 20 10 DGCDMM CCCN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000840824434 630362686 /nfs/dbraw/zinc/36/26/86/630362686.db2.gz MDFYACDFLJSJKJ-MRXNPFEDSA-N -1 1 304.777 3.039 20 10 DGCDMM COc1ccnc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1F ZINC000850537471 632186343 /nfs/dbraw/zinc/18/63/43/632186343.db2.gz VQBPJBYKMDHHBW-SECBINFHSA-N -1 1 310.756 3.439 20 10 DGCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(OC(F)F)cc1C ZINC000254970338 655551250 /nfs/dbraw/zinc/55/12/50/655551250.db2.gz HFXBTPVKQOCYMC-YHYXMXQVSA-N -1 1 315.366 3.394 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1cnc(-c2cccs2)s1 ZINC000177609154 655602058 /nfs/dbraw/zinc/60/20/58/655602058.db2.gz TYNUGIBJZUZQIN-YWEYNIOJSA-N -1 1 310.450 3.360 20 10 DGCDMM Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000255389220 655726355 /nfs/dbraw/zinc/72/63/55/655726355.db2.gz YZGDKPWWXYDCAY-UITAMQMPSA-N -1 1 314.229 3.246 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)ccc1OC(F)F ZINC000255669661 655888346 /nfs/dbraw/zinc/88/83/46/655888346.db2.gz BRXACGVECOQQJD-XBXARRHUSA-N -1 1 321.757 3.430 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(SC(F)F)cc1 ZINC000180425745 656092721 /nfs/dbraw/zinc/09/27/21/656092721.db2.gz YUVDDGIZXURKAY-VMPITWQZSA-N -1 1 303.380 3.490 20 10 DGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000192155246 656175633 /nfs/dbraw/zinc/17/56/33/656175633.db2.gz JQKIVIZXHKDLFX-UHFFFAOYSA-N -1 1 309.412 3.223 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1cccc(OC(F)(F)F)c1 ZINC000076106263 660101551 /nfs/dbraw/zinc/10/15/51/660101551.db2.gz UBLHYHDMNRQUBC-YVMONPNESA-N -1 1 305.302 3.074 20 10 DGCDMM CC(C)n1nccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000929307477 661295905 /nfs/dbraw/zinc/29/59/05/661295905.db2.gz ZCCVLLDITDRZRS-UHFFFAOYSA-N -1 1 308.769 3.145 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC001602057474 1192957391 /nfs/dbraw/zinc/95/73/91/1192957391.db2.gz DXUUIJHGLMGUCV-UHFFFAOYSA-N -1 1 301.745 3.014 20 10 DGCDMM Cn1cnnc1-c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001461081611 1182765325 /nfs/dbraw/zinc/76/53/25/1182765325.db2.gz GDJZLHHTUDLFCD-UHFFFAOYSA-N -1 1 316.311 3.078 20 10 DGCDMM CN(C)c1ccc(CNCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001606055118 1193188487 /nfs/dbraw/zinc/18/84/87/1193188487.db2.gz BPCRRMAMLQNLHN-UHFFFAOYSA-N -1 1 318.804 3.394 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])c(N)cc1F ZINC001606868304 1193206166 /nfs/dbraw/zinc/20/61/66/1193206166.db2.gz NBMRMWICGRRVEN-UHFFFAOYSA-N -1 1 308.740 3.005 20 10 DGCDMM CCOc1ccccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001606860193 1193206661 /nfs/dbraw/zinc/20/66/61/1193206661.db2.gz GVZTVKWSNGUUPS-UHFFFAOYSA-N -1 1 305.761 3.374 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc2c1CCOC2 ZINC001472316633 1183634349 /nfs/dbraw/zinc/63/43/49/1183634349.db2.gz ALDACZQFCVIODG-UHFFFAOYSA-N -1 1 317.772 3.048 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(Cl)n1 ZINC001472316709 1183634482 /nfs/dbraw/zinc/63/44/82/1183634482.db2.gz DNSWXVWJZKNJNS-UHFFFAOYSA-N -1 1 311.168 3.332 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(-n2nccn2)cc1 ZINC001474056906 1183859017 /nfs/dbraw/zinc/85/90/17/1183859017.db2.gz JHQKELLNUOJQNE-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM COc1ccc2c(c1)N(Cc1cc(F)cc(F)c1[O-])CCO2 ZINC001474418594 1183918824 /nfs/dbraw/zinc/91/88/24/1183918824.db2.gz PGAFVPBJIQDBEM-UHFFFAOYSA-N -1 1 307.296 3.078 20 10 DGCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1c(F)cccc1F ZINC001611666828 1193439829 /nfs/dbraw/zinc/43/98/29/1193439829.db2.gz CQINUPJMAXMEEM-ZETCQYMHSA-N -1 1 311.259 3.006 20 10 DGCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1C(N)=O ZINC001560382513 1189321199 /nfs/dbraw/zinc/32/11/99/1189321199.db2.gz FMQZNFOLSYTJES-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM Cc1ccc(OCC(=O)NCc2cccc(Cl)c2[O-])c(C)c1 ZINC001647826760 1195256563 /nfs/dbraw/zinc/25/65/63/1195256563.db2.gz IPQIOQLKXQMIDL-UHFFFAOYSA-N -1 1 319.788 3.358 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1nccc2occc21 ZINC001647830232 1195257192 /nfs/dbraw/zinc/25/71/92/1195257192.db2.gz OLQFWFUHLAGGAG-UHFFFAOYSA-N -1 1 302.717 3.117 20 10 DGCDMM O=C(NCc1ccc(C2CCC2)cc1)c1c(F)ccc(O)c1[O-] ZINC001648713536 1195324853 /nfs/dbraw/zinc/32/48/53/1195324853.db2.gz YLDSDVLNCDIGLZ-UHFFFAOYSA-N -1 1 315.344 3.434 20 10 DGCDMM Cc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(O)c1O ZINC001653076327 1195686112 /nfs/dbraw/zinc/68/61/12/1195686112.db2.gz HPGWYHGISGGLDR-UHFFFAOYSA-N -1 1 311.696 3.157 20 10 DGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])sc1C=O ZINC001653567160 1195735316 /nfs/dbraw/zinc/73/53/16/1195735316.db2.gz NHIFHHFUZBOHKG-UHFFFAOYSA-N -1 1 309.774 3.158 20 10 DGCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc2ccccc2o1 ZINC001654487859 1195809277 /nfs/dbraw/zinc/80/92/77/1195809277.db2.gz NZZCUOZCLZDNLP-SECBINFHSA-N -1 1 315.300 3.474 20 10 DGCDMM CC(=O)Nc1cc(NCc2cc(F)cc(F)c2[O-])ccc1F ZINC001655361157 1195907930 /nfs/dbraw/zinc/90/79/30/1195907930.db2.gz NOTBZOAQNTXGRY-UHFFFAOYSA-N -1 1 310.275 3.380 20 10 DGCDMM CCCNC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001658083628 1196210453 /nfs/dbraw/zinc/21/04/53/1196210453.db2.gz HZBZQGRUVXFGLE-UHFFFAOYSA-N -1 1 320.339 3.422 20 10 DGCDMM O=c1[nH]ccc2cc(NCc3cccc(Cl)c3[O-])ccc21 ZINC001658522065 1196268807 /nfs/dbraw/zinc/26/88/07/1196268807.db2.gz JQAYYMFTMJEUQD-UHFFFAOYSA-N -1 1 300.745 3.499 20 10 DGCDMM CCc1nnc([C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC001662111896 1196682223 /nfs/dbraw/zinc/68/22/23/1196682223.db2.gz DBYUFQUEMRRUHG-ZETCQYMHSA-N -1 1 315.204 3.230 20 10 DGCDMM CNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])c(C)c1 ZINC001662586899 1196731894 /nfs/dbraw/zinc/73/18/94/1196731894.db2.gz YIGMWEAJOPBEHH-UHFFFAOYSA-N -1 1 322.767 3.465 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccnc1Cl ZINC001673797043 1197694371 /nfs/dbraw/zinc/69/43/71/1197694371.db2.gz WBSCTXFBRCJBTF-UHFFFAOYSA-N -1 1 312.156 3.416 20 10 DGCDMM CCc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])nc1 ZINC001674511125 1197792718 /nfs/dbraw/zinc/79/27/18/1197792718.db2.gz JONJAMCWBXMOFX-UHFFFAOYSA-N -1 1 305.765 3.325 20 10 DGCDMM Cc1cscc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001682214606 1199142902 /nfs/dbraw/zinc/14/29/02/1199142902.db2.gz NSZGFZWGDMZKGR-UHFFFAOYSA-N -1 1 310.806 3.415 20 10 DGCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccns1 ZINC001684467695 1199386577 /nfs/dbraw/zinc/38/65/77/1199386577.db2.gz QDHAWWBBBAKLAW-MRVPVSSYSA-N -1 1 311.794 3.063 20 10 DGCDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC000192628445 1203290097 /nfs/dbraw/zinc/29/00/97/1203290097.db2.gz DDUJBOPPKIXAGH-UHFFFAOYSA-N -1 1 303.383 3.069 20 10 DGCDMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001606126284 973370722 /nfs/dbraw/zinc/37/07/22/973370722.db2.gz XOZAHWXGRLBEPM-JTQLQIEISA-N -1 1 315.772 3.262 20 10 DGCDMM CCCN(Cc1ccccc1O)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595891476 982926571 /nfs/dbraw/zinc/92/65/71/982926571.db2.gz UHUYHZRRSYCWQI-NSHDSACASA-N -1 1 304.346 3.052 20 10 DGCDMM CCOc1cccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001597153477 986937279 /nfs/dbraw/zinc/93/72/79/986937279.db2.gz IZVUUTZUVJJQDW-UHFFFAOYSA-N -1 1 319.357 3.023 20 10 DGCDMM CN(C)c1ccc(CN(C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001598519190 992657739 /nfs/dbraw/zinc/65/77/39/992657739.db2.gz JVGVELDLKZRGTG-ZHACJKMWSA-N -1 1 314.385 3.075 20 10 DGCDMM COc1cc2c(cc1OC)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142534643 1087279647 /nfs/dbraw/zinc/27/96/47/1087279647.db2.gz QQMUQPOQSMPXPR-UHFFFAOYSA-N -1 1 321.323 3.203 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCOc2ccccc21 ZINC001159034066 1088152465 /nfs/dbraw/zinc/15/24/65/1088152465.db2.gz QLCDZOTZUALMOM-CYBMUJFWSA-N -1 1 317.772 3.228 20 10 DGCDMM CCc1cccc(OCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001159034638 1088153622 /nfs/dbraw/zinc/15/36/22/1088153622.db2.gz ZAXTXPZEGJBAGL-UHFFFAOYSA-N -1 1 319.788 3.303 20 10 DGCDMM C/C(=C/c1ccccn1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041329 1088156329 /nfs/dbraw/zinc/15/63/29/1088156329.db2.gz IHOXIVDPCFDNEZ-LUAWRHEFSA-N -1 1 302.761 3.160 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CC2(C1)C[C@H](F)CS2 ZINC001237950181 1090331163 /nfs/dbraw/zinc/33/11/63/1090331163.db2.gz QUKHXHHUPOLNHI-VIFPVBQESA-N -1 1 305.777 3.214 20 10 DGCDMM CN(Cc1ccc2c(c1)OCO2)Cc1c([O-])cc(F)cc1F ZINC001140584613 1091920056 /nfs/dbraw/zinc/92/00/56/1091920056.db2.gz YUIHJTALVRSZCA-UHFFFAOYSA-N -1 1 307.296 3.031 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc([N+](=O)[O-])cc1 ZINC001216792656 1094263284 /nfs/dbraw/zinc/26/32/84/1094263284.db2.gz DJHSIPAOCYBCMW-UHFFFAOYSA-N -1 1 321.720 3.276 20 10 DGCDMM Cc1cncc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1 ZINC001216952041 1094283230 /nfs/dbraw/zinc/28/32/30/1094283230.db2.gz QPYUIEXIYHFXEM-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM Cc1ccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)nc1 ZINC001216952402 1094283793 /nfs/dbraw/zinc/28/37/93/1094283793.db2.gz YPRIVXYICWFABT-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM O=C(CC1(C(F)(F)F)CC1)NCc1cccc(Cl)c1[O-] ZINC001336623898 1094682644 /nfs/dbraw/zinc/68/26/44/1094682644.db2.gz BXEAUJZNRNOZNZ-UHFFFAOYSA-N -1 1 307.699 3.394 20 10 DGCDMM [O-]c1cccc(F)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001137840338 1095759172 /nfs/dbraw/zinc/75/91/72/1095759172.db2.gz YADPBUARAWNWNP-UHFFFAOYSA-N -1 1 309.344 3.233 20 10 DGCDMM C[C@]1(CF)CC(F)(F)CN1Cc1cc(Cl)c([O-])cc1O ZINC001232259388 1097985122 /nfs/dbraw/zinc/98/51/22/1097985122.db2.gz IIWMSHBYJANQTA-GFCCVEGCSA-N -1 1 309.715 3.320 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1CCCC12CC2 ZINC001233027257 1098206501 /nfs/dbraw/zinc/20/65/01/1098206501.db2.gz PASKBIDGUIKDET-UHFFFAOYSA-N -1 1 300.171 3.422 20 10 DGCDMM [O-]c1c(CN2CCCc3cc(O)c(O)cc3C2)ccc(F)c1F ZINC001233079142 1098221255 /nfs/dbraw/zinc/22/12/55/1098221255.db2.gz XCSXHEXGOBIWPN-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2ccc(F)cc2)CC1 ZINC001233331887 1098291374 /nfs/dbraw/zinc/29/13/74/1098291374.db2.gz OWPLNOWEBUVDPC-UHFFFAOYSA-N -1 1 322.330 3.132 20 10 DGCDMM COc1ccc(CN(C)Cc2c([O-])ccc(F)c2F)c(OC)c1 ZINC001233335062 1098292458 /nfs/dbraw/zinc/29/24/58/1098292458.db2.gz GDASDNSRVLDZIR-UHFFFAOYSA-N -1 1 323.339 3.320 20 10 DGCDMM CC(=O)[C@@H]1CCCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419010 1098324242 /nfs/dbraw/zinc/32/42/42/1098324242.db2.gz FUNJSTQXYCEBIB-ZDUSSCGKSA-N -1 1 301.308 3.355 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(F)ccc(F)c1F ZINC001180410853 1099412084 /nfs/dbraw/zinc/41/20/84/1099412084.db2.gz SKYXBJGVEALOTQ-UHFFFAOYSA-N -1 1 315.678 3.393 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2c(o1)CCCC2 ZINC001180420819 1099416148 /nfs/dbraw/zinc/41/61/48/1099416148.db2.gz PSLURICMIJCNBP-UHFFFAOYSA-N -1 1 305.761 3.447 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCn3cccc3C2)c1 ZINC001236665255 1099732220 /nfs/dbraw/zinc/73/22/20/1099732220.db2.gz IISASPUFSPMZOS-UHFFFAOYSA-N -1 1 321.218 3.280 20 10 DGCDMM COc1cc([O-])c(CN2Cc3nc(C)sc3C2)c(Cl)c1 ZINC001236805625 1099799377 /nfs/dbraw/zinc/79/93/77/1099799377.db2.gz IJXUWMPYKKRYNA-UHFFFAOYSA-N -1 1 310.806 3.335 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCOCC(F)(F)C1 ZINC001237078874 1099951837 /nfs/dbraw/zinc/95/18/37/1099951837.db2.gz ZDIIJELQSIUUDP-UHFFFAOYSA-N -1 1 312.143 3.167 20 10 DGCDMM CCOC(=O)[C@H]1CCCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237937233 1100296915 /nfs/dbraw/zinc/29/69/15/1100296915.db2.gz ONICVEGCULPBMU-CYBMUJFWSA-N -1 1 315.772 3.102 20 10 DGCDMM O=C(Nc1cnc(C2CC2)s1)c1ccc(O)c([O-])c1Cl ZINC001193218893 1100717748 /nfs/dbraw/zinc/71/77/48/1100717748.db2.gz DMFKWZKANWJXMP-UHFFFAOYSA-N -1 1 310.762 3.337 20 10 DGCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)n(C2CCC2)n1 ZINC001193219392 1100718858 /nfs/dbraw/zinc/71/88/58/1100718858.db2.gz GUPJDCVTPNEPQC-UHFFFAOYSA-N -1 1 321.764 3.233 20 10 DGCDMM O=C(NCc1sccc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193246809 1100720300 /nfs/dbraw/zinc/72/03/00/1100720300.db2.gz CFJMEEBZQQTOIH-UHFFFAOYSA-N -1 1 318.181 3.396 20 10 DGCDMM CCc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)c(O)c1 ZINC001193230134 1100721998 /nfs/dbraw/zinc/72/19/98/1100721998.db2.gz QKECIFAWWJOVGC-UHFFFAOYSA-N -1 1 307.733 3.272 20 10 DGCDMM CCCC[C@@H](CC)COC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001193983909 1100849481 /nfs/dbraw/zinc/84/94/81/1100849481.db2.gz OFSXASBJEHITMA-GFCCVEGCSA-N -1 1 323.389 3.223 20 10 DGCDMM Cc1cccc(C)c1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001194642391 1100979349 /nfs/dbraw/zinc/97/93/49/1100979349.db2.gz DOKHHBHOIWDNDB-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC001195309125 1101120014 /nfs/dbraw/zinc/12/00/14/1101120014.db2.gz HVSOEVRPKBNQRH-UHFFFAOYSA-N -1 1 311.790 3.463 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc2occc2c1 ZINC001198861217 1102007945 /nfs/dbraw/zinc/00/79/45/1102007945.db2.gz HWWHQUGKWQRYIC-UHFFFAOYSA-N -1 1 307.302 3.078 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1C[C@H]1C1CCC1 ZINC001252136743 1105748942 /nfs/dbraw/zinc/74/89/42/1105748942.db2.gz RJNUKFOSJZFZQF-STQMWFEESA-N -1 1 308.809 3.281 20 10 DGCDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c1C ZINC001260999139 1107340531 /nfs/dbraw/zinc/34/05/31/1107340531.db2.gz ODCUJMDYDLRCEM-UHFFFAOYSA-N -1 1 304.415 3.170 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1coc(C2CCC2)n1 ZINC001323481871 1107987878 /nfs/dbraw/zinc/98/78/78/1107987878.db2.gz DDRIIDQJLPEWAV-UHFFFAOYSA-N -1 1 318.720 3.384 20 10 DGCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(F)c1 ZINC001305084021 1111193064 /nfs/dbraw/zinc/19/30/64/1111193064.db2.gz FBRPSXSHBAGKSR-UHFFFAOYSA-N -1 1 321.735 3.317 20 10 DGCDMM CC(C)c1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001306168315 1111222633 /nfs/dbraw/zinc/22/26/33/1111222633.db2.gz KBIVZAZUUGKJRU-UHFFFAOYSA-N -1 1 317.360 3.333 20 10 DGCDMM C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285724454 131196364 /nfs/dbraw/zinc/19/63/64/131196364.db2.gz QIDGRCZPAVYUMX-RKDXNWHRSA-N -1 1 323.299 3.385 20 10 DGCDMM CC[C@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277582078 432862352 /nfs/dbraw/zinc/86/23/52/432862352.db2.gz RMEMWLKHSCZWJB-UWVGGRQHSA-N -1 1 314.223 3.453 20 10 DGCDMM CC(C)(C)OC(=O)NCc1cccc(Br)c1[O-] ZINC000277548457 432859673 /nfs/dbraw/zinc/85/96/73/432859673.db2.gz YBYXENGTNVUWOI-UHFFFAOYSA-N -1 1 302.168 3.179 20 10 DGCDMM O=C1COc2c(NCc3c([O-])ccc(Cl)c3F)cccc2N1 ZINC000377765587 433992438 /nfs/dbraw/zinc/99/24/38/433992438.db2.gz DGSMIXSHFJVTJL-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(CC(F)F)c1 ZINC000294245324 434056828 /nfs/dbraw/zinc/05/68/28/434056828.db2.gz NCBCBMDOHJFVSH-UHFFFAOYSA-N -1 1 305.687 3.258 20 10 DGCDMM CN(CC1(c2ccccc2)CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000294879629 434151178 /nfs/dbraw/zinc/15/11/78/434151178.db2.gz AACWLKPFRBPNON-UHFFFAOYSA-N -1 1 315.344 3.041 20 10 DGCDMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1c(F)ccc(O)c1[O-] ZINC000295362704 434329277 /nfs/dbraw/zinc/32/92/77/434329277.db2.gz PCIKZLGIXODIAB-SECBINFHSA-N -1 1 317.307 3.182 20 10 DGCDMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1c(F)ccc(O)c1[O-] ZINC000295362706 434329930 /nfs/dbraw/zinc/32/99/30/434329930.db2.gz PCIKZLGIXODIAB-VIFPVBQESA-N -1 1 317.307 3.182 20 10 DGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H](C)O1 ZINC000750045476 575699951 /nfs/dbraw/zinc/69/99/51/575699951.db2.gz RKIUDVUBDGTSPN-IINYFYTJSA-N -1 1 311.809 3.248 20 10 DGCDMM CC[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000916617641 620639519 /nfs/dbraw/zinc/63/95/19/620639519.db2.gz QXOODBUNMKFCBR-AWEZNQCLSA-N -1 1 314.337 3.018 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCc2cccnc21 ZINC000890759758 617656424 /nfs/dbraw/zinc/65/64/24/617656424.db2.gz QMEQLOJUCZEYNZ-ZDUSSCGKSA-N -1 1 316.788 3.177 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC12CCSCC2 ZINC000890760861 617657132 /nfs/dbraw/zinc/65/71/32/617657132.db2.gz BOHBTRLDCHQJDG-LLVKDONJSA-N -1 1 311.834 3.195 20 10 DGCDMM Cc1nn(C(C)C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760907 617657152 /nfs/dbraw/zinc/65/71/52/617657152.db2.gz DIPCDPOXJBGRMH-UHFFFAOYSA-N -1 1 307.781 3.061 20 10 DGCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1C(C)C ZINC000890760604 617657180 /nfs/dbraw/zinc/65/71/80/617657180.db2.gz VERWKUZPOOZGEN-UHFFFAOYSA-N -1 1 307.781 3.061 20 10 DGCDMM C[C@@H]1CCC[C@H](OCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890760554 617657232 /nfs/dbraw/zinc/65/72/32/617657232.db2.gz SXMJHTNPLMYZPH-YPMHNXCESA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@]12CCO[C@H]1CCCC2 ZINC000890763493 617659100 /nfs/dbraw/zinc/65/91/00/617659100.db2.gz XABPBDKSVXTGGK-BBRMVZONSA-N -1 1 309.793 3.011 20 10 DGCDMM CC(C)(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000113832386 620954215 /nfs/dbraw/zinc/95/42/15/620954215.db2.gz KBGIIHRRACFLRA-GHRIWEEISA-N -1 1 320.392 3.446 20 10 DGCDMM C[C@@H](NCc1ccon1)c1cc(Br)c(F)cc1[O-] ZINC000756637684 621654457 /nfs/dbraw/zinc/65/44/57/621654457.db2.gz ONMMBYJNNRTVKP-SSDOTTSWSA-N -1 1 315.142 3.133 20 10 DGCDMM C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1[O-] ZINC000756797142 621665376 /nfs/dbraw/zinc/66/53/76/621665376.db2.gz OQIQPYCFPKRBSW-MRVPVSSYSA-N -1 1 320.295 3.174 20 10 DGCDMM C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1[O-] ZINC000757614584 621728563 /nfs/dbraw/zinc/72/85/63/621728563.db2.gz VLXLRJZIIVGJPB-SECBINFHSA-N -1 1 318.323 3.129 20 10 DGCDMM CCOc1cc(C(=O)NCc2ccccc2O)cc(Cl)c1[O-] ZINC000762624189 622087571 /nfs/dbraw/zinc/08/75/71/622087571.db2.gz VHTMTTGXSRVVSV-UHFFFAOYSA-N -1 1 321.760 3.080 20 10 DGCDMM COc1ccc2c(c1)N(Cc1cccc(Cl)c1[O-])CCO2 ZINC000765650884 622279791 /nfs/dbraw/zinc/27/97/91/622279791.db2.gz HFUHLLZMLUJBLN-UHFFFAOYSA-N -1 1 305.761 3.453 20 10 DGCDMM O=C(C[C@H]1C=CCC1)NCc1cccc(Br)c1[O-] ZINC000765751236 622285258 /nfs/dbraw/zinc/28/52/58/622285258.db2.gz BNEYFDRSSJMNSQ-JTQLQIEISA-N -1 1 310.191 3.127 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC3(CCCC3)C2)c1[O-] ZINC000766124002 622307737 /nfs/dbraw/zinc/30/77/37/622307737.db2.gz ZNSVPSQVKFILKE-UHFFFAOYSA-N -1 1 323.820 3.393 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](O)Cc2ccccc21 ZINC000789761524 625563467 /nfs/dbraw/zinc/56/34/67/625563467.db2.gz IHRARDZOVMEBGL-NSHDSACASA-N -1 1 307.752 3.108 20 10 DGCDMM CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(F)(F)F ZINC000774841008 623198245 /nfs/dbraw/zinc/19/82/45/623198245.db2.gz QKYOLJZYXLHKAH-UHFFFAOYSA-N -1 1 322.283 3.083 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCc2ccccc2[C@H]1CO ZINC000775700247 623315727 /nfs/dbraw/zinc/31/57/27/623315727.db2.gz JMFYTCMDMPPKIV-MRXNPFEDSA-N -1 1 321.779 3.276 20 10 DGCDMM O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776473744 623434098 /nfs/dbraw/zinc/43/40/98/623434098.db2.gz LDUNRLFXABIONK-UHFFFAOYSA-N -1 1 311.259 3.047 20 10 DGCDMM CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877842919 624065861 /nfs/dbraw/zinc/06/58/61/624065861.db2.gz LULLXKGJZZXSNS-AWEZNQCLSA-N -1 1 306.724 3.063 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](OC(F)F)C1 ZINC000781531390 624087820 /nfs/dbraw/zinc/08/78/20/624087820.db2.gz AMRLATAGVOJMRG-JTQLQIEISA-N -1 1 309.715 3.388 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CCOC(C)(C)C2)c1 ZINC000781902220 624168044 /nfs/dbraw/zinc/16/80/44/624168044.db2.gz OIFATNWGBACTJX-UHFFFAOYSA-N -1 1 314.223 3.074 20 10 DGCDMM CC1(C)CCCC[C@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784336493 624503699 /nfs/dbraw/zinc/50/36/99/624503699.db2.gz FAYKZQHHGZDGKR-ZDUSSCGKSA-N -1 1 320.385 3.430 20 10 DGCDMM NC(=O)N1CCc2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000787315332 625000511 /nfs/dbraw/zinc/00/05/11/625000511.db2.gz VXRDRTNJWIMDMU-UHFFFAOYSA-N -1 1 317.776 3.099 20 10 DGCDMM O=C1CCN1c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000790943015 625719660 /nfs/dbraw/zinc/71/96/60/625719660.db2.gz GGEZOFQVHFUYMB-UHFFFAOYSA-N -1 1 302.761 3.394 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(OC2COC2)cc1 ZINC000883098578 625926856 /nfs/dbraw/zinc/92/68/56/625926856.db2.gz SMTMCMWAUCCBHD-UHFFFAOYSA-N -1 1 307.296 3.060 20 10 DGCDMM Cc1c(NCc2cc(F)cc(F)c2[O-])cnn1C1CCOCC1 ZINC000883131522 625936523 /nfs/dbraw/zinc/93/65/23/625936523.db2.gz GHHFNRPRLVMBGG-UHFFFAOYSA-N -1 1 323.343 3.139 20 10 DGCDMM CN1C(=O)COc2cc(NCc3cccc(Cl)c3[O-])ccc21 ZINC000798962762 626263204 /nfs/dbraw/zinc/26/32/04/626263204.db2.gz YSQBNKUDNLDPKS-UHFFFAOYSA-N -1 1 318.760 3.013 20 10 DGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000800837133 626378306 /nfs/dbraw/zinc/37/83/06/626378306.db2.gz PDIGNGBBIYZMOJ-UHFFFAOYSA-N -1 1 314.366 3.050 20 10 DGCDMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(N(C)C)cc1 ZINC000809777918 626951051 /nfs/dbraw/zinc/95/10/51/626951051.db2.gz IONCBZAUBQDPJK-JTQLQIEISA-N -1 1 320.339 3.227 20 10 DGCDMM C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1c(O)cccc1F ZINC000886641245 627178430 /nfs/dbraw/zinc/17/84/30/627178430.db2.gz DMCLSEIDKWFIFX-QMMMGPOBSA-N -1 1 317.286 3.134 20 10 DGCDMM CC[C@@H](NCc1nn(CC)nc1C)c1cccc(Cl)c1[O-] ZINC000818347191 628017222 /nfs/dbraw/zinc/01/72/22/628017222.db2.gz YBOQQXLAGJNSEO-CYBMUJFWSA-N -1 1 308.813 3.206 20 10 DGCDMM CC(C)(C)c1cnc(Sc2cccc(-c3nnn[n-]3)n2)s1 ZINC000824135463 628630325 /nfs/dbraw/zinc/63/03/25/628630325.db2.gz FIEZODKTJFLOER-UHFFFAOYSA-N -1 1 318.431 3.167 20 10 DGCDMM CC(C)(C)c1cnc(Sc2cccc(-c3nn[n-]n3)n2)s1 ZINC000824135463 628630327 /nfs/dbraw/zinc/63/03/27/628630327.db2.gz FIEZODKTJFLOER-UHFFFAOYSA-N -1 1 318.431 3.167 20 10 DGCDMM C[C@@]1(c2ccccc2)CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000826826406 628892078 /nfs/dbraw/zinc/89/20/78/628892078.db2.gz ZHWZXZZRHYBRJF-GOSISDBHSA-N -1 1 315.344 3.041 20 10 DGCDMM O=C([O-])N[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000832139864 629444942 /nfs/dbraw/zinc/44/49/42/629444942.db2.gz CUAYHZGXPQVLFQ-CQSZACIVSA-N -1 1 320.776 3.144 20 10 DGCDMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1c(F)ccc(O)c1[O-] ZINC000832826827 629519508 /nfs/dbraw/zinc/51/95/08/629519508.db2.gz ZHYCBTBZFOXUJW-ZDUSSCGKSA-N -1 1 315.344 3.161 20 10 DGCDMM O=C([O-])CCC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000833225933 629572662 /nfs/dbraw/zinc/57/26/62/629572662.db2.gz VMAJUGLTDXHTSI-UHFFFAOYSA-N -1 1 314.385 3.017 20 10 DGCDMM C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352280 632123053 /nfs/dbraw/zinc/12/30/53/632123053.db2.gz QYXZYWBWEHEYAH-HQJQHLMTSA-N -1 1 313.188 3.086 20 10 DGCDMM COc1ccnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1F ZINC000850537472 632185778 /nfs/dbraw/zinc/18/57/78/632185778.db2.gz VQBPJBYKMDHHBW-VIFPVBQESA-N -1 1 310.756 3.439 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCCC2 ZINC000792882427 660991288 /nfs/dbraw/zinc/99/12/88/660991288.db2.gz GDSBQDSNVVNDKX-AQTBWJFISA-N -1 1 318.376 3.027 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1ccc2c(c1)OCO2 ZINC000048794970 657301301 /nfs/dbraw/zinc/30/13/01/657301301.db2.gz UKJPSTNKDKLNPP-UHFFFAOYSA-N -1 1 322.158 3.496 20 10 DGCDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000156405292 658918794 /nfs/dbraw/zinc/91/87/94/658918794.db2.gz XCFSBULRTPZRMN-UHFFFAOYSA-N -1 1 319.382 3.094 20 10 DGCDMM CN(C)C(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000158056776 659135007 /nfs/dbraw/zinc/13/50/07/659135007.db2.gz CHMULVWJEWYKGJ-UHFFFAOYSA-N -1 1 304.777 3.360 20 10 DGCDMM CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000048915882 661897437 /nfs/dbraw/zinc/89/74/37/661897437.db2.gz PHOSUMITCAMHFP-YGRLFVJLSA-N -1 1 311.809 3.248 20 10 DGCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086757487 662219431 /nfs/dbraw/zinc/21/94/31/662219431.db2.gz GLLVVHMJLFLBEW-VIFPVBQESA-N -1 1 318.200 3.386 20 10 DGCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086757485 662219445 /nfs/dbraw/zinc/21/94/45/662219445.db2.gz GLLVVHMJLFLBEW-SECBINFHSA-N -1 1 318.200 3.386 20 10 DGCDMM CCCN(Cc1ccccc1O)C(=O)c1cc(F)ccc1[O-] ZINC000092602160 662332967 /nfs/dbraw/zinc/33/29/67/662332967.db2.gz LXUJURIEZLHURY-UHFFFAOYSA-N -1 1 303.333 3.289 20 10 DGCDMM CC(C)c1cc(NCc2cccc(Cl)c2[O-])n2ncnc2n1 ZINC000897392315 685311624 /nfs/dbraw/zinc/31/16/24/685311624.db2.gz WTYOYCRDEHHZSH-UHFFFAOYSA-N -1 1 317.780 3.219 20 10 DGCDMM C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccccc1O ZINC001587451137 1192400860 /nfs/dbraw/zinc/40/08/60/1192400860.db2.gz IXOWPQMACWIBBI-NSHDSACASA-N -1 1 308.337 3.137 20 10 DGCDMM COc1ccnc(CNCc2cc(Cl)cc(F)c2[O-])c1F ZINC001621010478 1192782961 /nfs/dbraw/zinc/78/29/61/1192782961.db2.gz PYXPYASYTLMWEU-UHFFFAOYSA-N -1 1 314.719 3.017 20 10 DGCDMM CCCC[C@@H](COC)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001343099605 1179233681 /nfs/dbraw/zinc/23/36/81/1179233681.db2.gz REGLPZSSOAUNQE-LBPRGKRZSA-N -1 1 314.813 3.050 20 10 DGCDMM O=C([O-])C[N@H+](CCCCCF)Cc1cc(Cl)ccc1[O-] ZINC001602055713 1192957417 /nfs/dbraw/zinc/95/74/17/1192957417.db2.gz UFYGXTPIIXAGCB-UHFFFAOYSA-N -1 1 303.761 3.072 20 10 DGCDMM O=C([O-])C[N@@H+](CCCCCF)Cc1cc(Cl)ccc1[O-] ZINC001602055713 1192957418 /nfs/dbraw/zinc/95/74/18/1192957418.db2.gz UFYGXTPIIXAGCB-UHFFFAOYSA-N -1 1 303.761 3.072 20 10 DGCDMM O=C(/C=C/c1ccnc(Cl)c1)NCc1cccc(Cl)c1[O-] ZINC001457036733 1182441080 /nfs/dbraw/zinc/44/10/80/1182441080.db2.gz NCBDPTGEQGDMEB-SNAWJCMRSA-N -1 1 323.179 3.424 20 10 DGCDMM COc1cccc(CCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001606860400 1193206265 /nfs/dbraw/zinc/20/62/65/1193206265.db2.gz KKGZQQBVPOSHDQ-UHFFFAOYSA-N -1 1 319.788 3.303 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1scnc1C(F)F ZINC001472316630 1183634000 /nfs/dbraw/zinc/63/40/00/1183634000.db2.gz AGXGQQYNQHPVTH-UHFFFAOYSA-N -1 1 318.732 3.370 20 10 DGCDMM Cc1cc(O)c(CNc2nc3cccc(C(=O)[O-])c3[nH]2)cc1C ZINC001607700112 1193249577 /nfs/dbraw/zinc/24/95/77/1193249577.db2.gz SWVKZPRSANMXEY-UHFFFAOYSA-N -1 1 311.341 3.196 20 10 DGCDMM CC(C)c1ncc2c(n1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001474638471 1183953634 /nfs/dbraw/zinc/95/36/34/1183953634.db2.gz GOFMJSDKXBMZDE-UHFFFAOYSA-N -1 1 319.355 3.142 20 10 DGCDMM O=C([O-])/C=C\c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC001608660524 1193298654 /nfs/dbraw/zinc/29/86/54/1193298654.db2.gz UJGAKKZXUSBKIT-XQRVVYSFSA-N -1 1 307.733 3.026 20 10 DGCDMM O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1O ZINC001608721869 1193301808 /nfs/dbraw/zinc/30/18/08/1193301808.db2.gz CLZQDLFPDXRMQH-UHFFFAOYSA-N -1 1 321.323 3.147 20 10 DGCDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(N(C)C)cc1 ZINC001609779537 1193356281 /nfs/dbraw/zinc/35/62/81/1193356281.db2.gz LMMMZOWNXCZSCR-GFCCVEGCSA-N -1 1 316.376 3.441 20 10 DGCDMM COC[C@@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249623 1193379801 /nfs/dbraw/zinc/37/98/01/1193379801.db2.gz RJVCKQFVZWPTCT-BXUZGUMPSA-N -1 1 319.357 3.030 20 10 DGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CC2CCC1CC2 ZINC001611538687 1193436821 /nfs/dbraw/zinc/43/68/21/1193436821.db2.gz ZUMWZWZDIQIFGL-XKGSQUFQSA-N -1 1 307.365 3.182 20 10 DGCDMM Cc1cccc([C@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001558938992 1189157343 /nfs/dbraw/zinc/15/73/43/1189157343.db2.gz DQEMECWUNVLTIH-LLVKDONJSA-N -1 1 303.333 3.079 20 10 DGCDMM CC[C@@H](CCc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001559014404 1189163007 /nfs/dbraw/zinc/16/30/07/1189163007.db2.gz BXBQALYLOSSMSF-ZDUSSCGKSA-N -1 1 317.360 3.378 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cn(-c2ccccc2)nn1 ZINC001560625978 1189351650 /nfs/dbraw/zinc/35/16/50/1189351650.db2.gz WTDVEDAXTKXYHD-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM O=C(NCc1csc2ccccc12)c1c(F)ccc(O)c1[O-] ZINC001638163526 1194705053 /nfs/dbraw/zinc/70/50/53/1194705053.db2.gz XZFOWNSMGVEVKY-UHFFFAOYSA-N -1 1 317.341 3.382 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1F ZINC001640404439 1194811689 /nfs/dbraw/zinc/81/16/89/1194811689.db2.gz AACVBALPVHPIAW-UHFFFAOYSA-N -1 1 324.695 3.023 20 10 DGCDMM Cc1ccc(O)c(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC001645800595 1195201668 /nfs/dbraw/zinc/20/16/68/1195201668.db2.gz LSTFFDUWHGDESM-UHFFFAOYSA-N -1 1 307.349 3.489 20 10 DGCDMM Cc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC001645800854 1195202260 /nfs/dbraw/zinc/20/22/60/1195202260.db2.gz WQFYVLVFMKIBJI-UHFFFAOYSA-N -1 1 307.349 3.489 20 10 DGCDMM CSCc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001648725115 1195325120 /nfs/dbraw/zinc/32/51/20/1195325120.db2.gz LHSDSLWPNSWSOU-UHFFFAOYSA-N -1 1 321.373 3.030 20 10 DGCDMM CN(CCc1ccc(Cl)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC001650914634 1195394702 /nfs/dbraw/zinc/39/47/02/1195394702.db2.gz AVJHVQVHNBBMPW-UHFFFAOYSA-N -1 1 323.751 3.205 20 10 DGCDMM O=C(N[C@H]1CCc2ccc(Cl)cc21)c1c(F)ccc(O)c1[O-] ZINC001651177173 1195423583 /nfs/dbraw/zinc/42/35/83/1195423583.db2.gz MRXCKQVGWGDIHK-LBPRGKRZSA-N -1 1 321.735 3.308 20 10 DGCDMM O=C(N[C@H]1CCCc2c(F)cccc21)c1c([O-])c(O)ccc1F ZINC001654618643 1195824088 /nfs/dbraw/zinc/82/40/88/1195824088.db2.gz HOCIGWHZZJGWQS-ZDUSSCGKSA-N -1 1 319.307 3.183 20 10 DGCDMM CC(=O)N1CCc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC001655356135 1195907100 /nfs/dbraw/zinc/90/71/00/1195907100.db2.gz LKWCFELXWQOWER-UHFFFAOYSA-N -1 1 318.323 3.192 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cc(Br)ccn1 ZINC001657966117 1196197123 /nfs/dbraw/zinc/19/71/23/1196197123.db2.gz ZWEFKHGOGYCINQ-UHFFFAOYSA-N -1 1 315.117 3.440 20 10 DGCDMM O=C1NCCc2c(NCc3cc(Cl)cc(F)c3[O-])cccc21 ZINC001658122389 1196214224 /nfs/dbraw/zinc/21/42/24/1196214224.db2.gz DDXIZBPHWLEIMJ-UHFFFAOYSA-N -1 1 320.751 3.083 20 10 DGCDMM Cc1nc2ccc(NCc3c([O-])ccc(Cl)c3F)cn2n1 ZINC001658174844 1196221518 /nfs/dbraw/zinc/22/15/18/1196221518.db2.gz LPFJVIVWAJCSJA-UHFFFAOYSA-N -1 1 306.728 3.148 20 10 DGCDMM COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001658512997 1196266948 /nfs/dbraw/zinc/26/69/48/1196266948.db2.gz CRBGCORBJQCIFJ-MRXNPFEDSA-N -1 1 321.323 3.017 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1cn(-c2ccccc2)nn1 ZINC001658790319 1196301670 /nfs/dbraw/zinc/30/16/70/1196301670.db2.gz NPSGQKUNYVFKIW-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM O=C1OCCN1c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001661044665 1196557061 /nfs/dbraw/zinc/55/70/61/1196557061.db2.gz KUVAJGPMQYSPBS-UHFFFAOYSA-N -1 1 320.295 3.239 20 10 DGCDMM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC001663314720 1196833181 /nfs/dbraw/zinc/83/31/81/1196833181.db2.gz AQTYQBYLTKWMRK-SECBINFHSA-N -1 1 308.284 3.429 20 10 DGCDMM COc1ncc(C)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001667734462 1197383708 /nfs/dbraw/zinc/38/37/08/1197383708.db2.gz XVZGNNFTOVUVIZ-UHFFFAOYSA-N -1 1 321.764 3.079 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@]12C[C@@H]1CCCC2 ZINC001685297621 1199464091 /nfs/dbraw/zinc/46/40/91/1199464091.db2.gz FRVQCRYXFGGWGB-BLLLJJGKSA-N -1 1 308.809 3.425 20 10 DGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc21 ZINC001594951297 954951279 /nfs/dbraw/zinc/95/12/79/954951279.db2.gz FUHHOAIZIUMEJI-CQSZACIVSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])Cc2ccccc21 ZINC001594951835 954960106 /nfs/dbraw/zinc/96/01/06/954960106.db2.gz PQHHVZLPOHJAHY-OAHLLOKOSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])Cc2ccccc21 ZINC001594951835 954960122 /nfs/dbraw/zinc/96/01/22/954960122.db2.gz PQHHVZLPOHJAHY-OAHLLOKOSA-N -1 1 317.772 3.230 20 10 DGCDMM Cc1cc([O-])c(C[NH2+]Cc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001605217016 972965886 /nfs/dbraw/zinc/96/58/86/972965886.db2.gz UZXMPKSPQDKDBB-UHFFFAOYSA-N -1 1 305.761 3.342 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCOC[C@H]1C1CC1 ZINC001236800582 1099792763 /nfs/dbraw/zinc/79/27/63/1099792763.db2.gz WHIPNUZQCZQGKU-ZDUSSCGKSA-N -1 1 302.201 3.310 20 10 DGCDMM O=C(CNc1cccc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC001170315157 1082344747 /nfs/dbraw/zinc/34/47/47/1082344747.db2.gz QVKXPKCBEBWFHD-UHFFFAOYSA-N -1 1 311.259 3.411 20 10 DGCDMM O=C(CNc1cncc(-c2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC001170315179 1082344855 /nfs/dbraw/zinc/34/48/55/1082344855.db2.gz SHGDAZVDPXJHTC-UHFFFAOYSA-N -1 1 320.348 3.455 20 10 DGCDMM [O-]c1c(CNCc2noc3ccc(F)cc23)ccc(F)c1F ZINC001183406032 1083939070 /nfs/dbraw/zinc/93/90/70/1083939070.db2.gz AZDXEEYMSNPBCP-UHFFFAOYSA-N -1 1 308.259 3.241 20 10 DGCDMM O=C(/C=C\COc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001159041508 1088155675 /nfs/dbraw/zinc/15/56/75/1088155675.db2.gz PXQMTTOBJGSLOZ-YHYXMXQVSA-N -1 1 317.772 3.297 20 10 DGCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc2ccccc12 ZINC001159276269 1088265471 /nfs/dbraw/zinc/26/54/71/1088265471.db2.gz GPESHHCGSGSLOB-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001161448572 1089249733 /nfs/dbraw/zinc/24/97/33/1089249733.db2.gz FZSHFWCKYKSIAZ-SNVBAGLBSA-N -1 1 319.332 3.045 20 10 DGCDMM O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001164342569 1090406141 /nfs/dbraw/zinc/40/61/41/1090406141.db2.gz RRUXSNSITDTMAV-UHFFFAOYSA-N -1 1 323.692 3.474 20 10 DGCDMM O=C1COc2cccc(NCc3cc(Cl)cc(F)c3[O-])c2N1 ZINC001203457520 1090738332 /nfs/dbraw/zinc/73/83/32/1090738332.db2.gz JVGGRAMVUOYHPR-UHFFFAOYSA-N -1 1 322.723 3.128 20 10 DGCDMM CN1CCN(Cc2c(F)ccc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001139685727 1091641157 /nfs/dbraw/zinc/64/11/57/1091641157.db2.gz VCYHCPCURYBQFW-KRWDZBQOSA-N -1 1 318.367 3.159 20 10 DGCDMM COc1ccc2c(c1)CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685690 1091641471 /nfs/dbraw/zinc/64/14/71/1091641471.db2.gz SXRISPMEWIJLNH-UHFFFAOYSA-N -1 1 305.324 3.237 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001139687641 1091643057 /nfs/dbraw/zinc/64/30/57/1091643057.db2.gz QAGLXJCKDMWIGH-UHFFFAOYSA-N -1 1 321.323 3.030 20 10 DGCDMM [O-]c1cc(Cl)ccc1CN1[C@@H](CO)CCC[C@@H]1C(F)(F)F ZINC001140461420 1091874244 /nfs/dbraw/zinc/87/42/44/1091874244.db2.gz LVVXMKDBJXULAU-DGCLKSJQSA-N -1 1 323.742 3.323 20 10 DGCDMM COC(=O)[C@@H](NCc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001207748603 1092088262 /nfs/dbraw/zinc/08/82/62/1092088262.db2.gz LSOAQVCPDDMPHJ-HNNXBMFYSA-N -1 1 305.761 3.050 20 10 DGCDMM O=C1CCCc2ccc(-c3noc(-c4cccc(O)c4[O-])n3)cc21 ZINC001215146006 1093926957 /nfs/dbraw/zinc/92/69/57/1093926957.db2.gz WOTOVSYCQSGVMP-UHFFFAOYSA-N -1 1 322.320 3.334 20 10 DGCDMM COc1cccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1 ZINC001216952085 1094283772 /nfs/dbraw/zinc/28/37/72/1094283772.db2.gz TUGFUAWPQXJZLK-UHFFFAOYSA-N -1 1 318.716 3.477 20 10 DGCDMM CN(C)c1ccc(CN(C)Cc2c(F)cc([O-])cc2F)cc1 ZINC001144560832 1095712531 /nfs/dbraw/zinc/71/25/31/1095712531.db2.gz AUXLOYCMOSMOFJ-UHFFFAOYSA-N -1 1 306.356 3.368 20 10 DGCDMM COc1cc2c(cc1OC)CN(Cc1cccc(F)c1[O-])C2 ZINC001138130771 1095897499 /nfs/dbraw/zinc/89/74/99/1095897499.db2.gz HNBQQQCEFZJNCJ-UHFFFAOYSA-N -1 1 303.333 3.064 20 10 DGCDMM [O-]c1c(CN2Cc3ccc(O)cc3C3(CC3)C2)ccc(F)c1F ZINC001119244310 1096143673 /nfs/dbraw/zinc/14/36/73/1096143673.db2.gz FCPDMELWIKGYTJ-UHFFFAOYSA-N -1 1 317.335 3.423 20 10 DGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CC=CC1 ZINC001227581059 1096954887 /nfs/dbraw/zinc/95/48/87/1096954887.db2.gz UZRQGDAWAQHSBS-UHFFFAOYSA-N -1 1 306.317 3.265 20 10 DGCDMM O=C([O-])c1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001231455617 1097752820 /nfs/dbraw/zinc/75/28/20/1097752820.db2.gz RVWZEPNPNJEDJK-UHFFFAOYSA-N -1 1 307.365 3.195 20 10 DGCDMM O=C([O-])c1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001231455617 1097752824 /nfs/dbraw/zinc/75/28/24/1097752824.db2.gz RVWZEPNPNJEDJK-UHFFFAOYSA-N -1 1 307.365 3.195 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001231565356 1097780746 /nfs/dbraw/zinc/78/07/46/1097780746.db2.gz UGDFJBQSEKYQBR-CYBMUJFWSA-N -1 1 315.344 3.219 20 10 DGCDMM [O-]c1cc(O)c(CN2CC[C@@H](CF)C(F)(F)C2)cc1Cl ZINC001232260997 1097985607 /nfs/dbraw/zinc/98/56/07/1097985607.db2.gz USGYGIWNMRTKJS-VIFPVBQESA-N -1 1 309.715 3.178 20 10 DGCDMM Cc1ccn2cc(CN(C)Cc3c([O-])ccc(F)c3F)nc2c1 ZINC001233336360 1098293587 /nfs/dbraw/zinc/29/35/87/1098293587.db2.gz JGYUDYSLABIXHI-UHFFFAOYSA-N -1 1 317.339 3.259 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CCC(C)(C)O1 ZINC001233494044 1098351085 /nfs/dbraw/zinc/35/10/85/1098351085.db2.gz DBRUBRDSJGZXAX-NSHDSACASA-N -1 1 308.374 3.417 20 10 DGCDMM CO[C@@H](COc1cc([O-])c(O)cc1C(C)=O)c1ccccc1 ZINC001234473984 1098565089 /nfs/dbraw/zinc/56/50/89/1098565089.db2.gz MJTATVIHWSOFAE-KRWDZBQOSA-N -1 1 302.326 3.067 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OCc1ccnc(OC(C)C)c1 ZINC001234477506 1098566863 /nfs/dbraw/zinc/56/68/63/1098566863.db2.gz SWYNYQXNWNGAQD-UHFFFAOYSA-N -1 1 317.341 3.062 20 10 DGCDMM Nc1ccc2c(c1)CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001236109684 1099398399 /nfs/dbraw/zinc/39/83/99/1099398399.db2.gz VRPCTNCJTFEOSB-UHFFFAOYSA-N -1 1 306.768 3.325 20 10 DGCDMM O=C(NCc1cccc(Cl)c1O)c1c([O-])cccc1Cl ZINC001180409865 1099411817 /nfs/dbraw/zinc/41/18/17/1099411817.db2.gz HENKWZCJVULNEW-UHFFFAOYSA-N -1 1 312.152 3.335 20 10 DGCDMM C/C(=C/c1cccnc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180420176 1099416207 /nfs/dbraw/zinc/41/62/07/1099416207.db2.gz HRVUHDIIJIAJMG-FLIBITNWSA-N -1 1 302.761 3.160 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCOCC12CCC2 ZINC001236800261 1099793744 /nfs/dbraw/zinc/79/37/44/1099793744.db2.gz UWZWXJHXERQFAW-UHFFFAOYSA-N -1 1 302.201 3.454 20 10 DGCDMM [O-]c1cc(Cl)c(Cl)cc1CN(CCO)CC(F)(F)F ZINC001236799842 1099793848 /nfs/dbraw/zinc/79/38/48/1099793848.db2.gz QJQYGWZSGCLNRJ-UHFFFAOYSA-N -1 1 318.122 3.056 20 10 DGCDMM CCOC(=O)CN(Cc1cc(Cl)c(Cl)cc1[O-])C1CC1 ZINC001236802970 1099798081 /nfs/dbraw/zinc/79/80/81/1099798081.db2.gz LDJMBRABGDHLIP-UHFFFAOYSA-N -1 1 318.200 3.227 20 10 DGCDMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(O)c([O-])c1Cl ZINC001193246727 1100720645 /nfs/dbraw/zinc/72/06/45/1100720645.db2.gz ARANTTLNCFBKIO-MRVPVSSYSA-N -1 1 319.735 3.307 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1scnc1C1CC1 ZINC001326037380 1103188474 /nfs/dbraw/zinc/18/84/74/1103188474.db2.gz GKVKYVRFIBEPJL-UHFFFAOYSA-N -1 1 320.761 3.462 20 10 DGCDMM O=[N+]([O-])c1cc(-c2nc3cc(F)cc(Cl)c3[nH]2)cc(O)c1[O-] ZINC001251027691 1105621678 /nfs/dbraw/zinc/62/16/78/1105621678.db2.gz SFLWLZRZNSPBJF-UHFFFAOYSA-N -1 1 323.667 3.342 20 10 DGCDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)c1cc(C)cc(C)c1 ZINC001253373679 1105931199 /nfs/dbraw/zinc/93/11/99/1105931199.db2.gz GMXGHHWEHGIHAQ-UHFFFAOYSA-N -1 1 317.410 3.296 20 10 DGCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cccc(Cl)c1 ZINC001256790173 1106483824 /nfs/dbraw/zinc/48/38/24/1106483824.db2.gz CYPSEUKUWGCSFV-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001260742002 1107309899 /nfs/dbraw/zinc/30/98/99/1107309899.db2.gz VNLBDSPIILLMIP-LLVKDONJSA-N -1 1 315.394 3.438 20 10 DGCDMM CN1Cc2cc(NCc3cc(F)cc(F)c3[O-])ccc2NC1=O ZINC001308377335 1111423555 /nfs/dbraw/zinc/42/35/55/1111423555.db2.gz DTHJNAQFAHMXDF-UHFFFAOYSA-N -1 1 319.311 3.260 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CNCc1nc(-c2ccccc2)no1 ZINC001308670521 1111458353 /nfs/dbraw/zinc/45/83/53/1111458353.db2.gz BKMWEEJYQZUELL-UHFFFAOYSA-N -1 1 317.295 3.010 20 10 DGCDMM CC[C@@H](NCc1nncn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287285987 280191218 /nfs/dbraw/zinc/19/12/18/280191218.db2.gz BTEHWCJTONNGJJ-LLVKDONJSA-N -1 1 315.204 3.068 20 10 DGCDMM C[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442923 432265548 /nfs/dbraw/zinc/26/55/48/432265548.db2.gz SJPKRNAHUGEQES-FZMZJTMJSA-N -1 1 323.799 3.464 20 10 DGCDMM Cc1noc([C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000271105414 432330790 /nfs/dbraw/zinc/33/07/90/432330790.db2.gz VLWOKDVKRYPVFR-NSHDSACASA-N -1 1 307.781 3.117 20 10 DGCDMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000276636170 432823005 /nfs/dbraw/zinc/82/30/05/432823005.db2.gz WZQMPKNMNKRXNC-WCQYABFASA-N -1 1 315.344 3.255 20 10 DGCDMM CCCC[N@@H+](Cc1nnc2n1CCCC2)Cc1ccccc1O ZINC000282398237 433593622 /nfs/dbraw/zinc/59/36/22/433593622.db2.gz HMFJOTONAUCHJO-UHFFFAOYSA-N -1 1 314.433 3.122 20 10 DGCDMM CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294847122 434148885 /nfs/dbraw/zinc/14/88/85/434148885.db2.gz ZOJIDPHQUWAQSO-HNNXBMFYSA-N -1 1 301.789 3.169 20 10 DGCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000729535539 575254860 /nfs/dbraw/zinc/25/48/60/575254860.db2.gz SXQMQYIWXTZAEK-SECBINFHSA-N -1 1 321.760 3.251 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1nc(-c2ccccc2)cs1 ZINC000726876648 576046653 /nfs/dbraw/zinc/04/66/53/576046653.db2.gz ZJGKWBKWUJSTSM-UXBLZVDNSA-N -1 1 304.421 3.299 20 10 DGCDMM O=C(COC(=O)c1cccc2ccccc21)c1ccc([O-])c(O)c1 ZINC000916589923 620637403 /nfs/dbraw/zinc/63/74/03/620637403.db2.gz IOIGWINHYTYEIV-UHFFFAOYSA-N -1 1 322.316 3.291 20 10 DGCDMM Cn1nc(C(C)(C)C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758222 617655845 /nfs/dbraw/zinc/65/58/45/617655845.db2.gz SHDLKIXQGTYSHX-UHFFFAOYSA-N -1 1 321.808 3.007 20 10 DGCDMM Cc1nc(C(C)C)oc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759268 617656323 /nfs/dbraw/zinc/65/63/23/617656323.db2.gz JBPRYTSFCVIXSM-UHFFFAOYSA-N -1 1 308.765 3.395 20 10 DGCDMM CCC[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759722 617656494 /nfs/dbraw/zinc/65/64/94/617656494.db2.gz PFEITYYMZVZFEO-YPMHNXCESA-N -1 1 311.809 3.257 20 10 DGCDMM CCCc1ncc(C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000890760361 617656965 /nfs/dbraw/zinc/65/69/65/617656965.db2.gz PLAGYKPXVIAJDK-UHFFFAOYSA-N -1 1 310.806 3.385 20 10 DGCDMM CC1(C)CCc2cc(C=C3SC(=S)[N-]C3=O)ccc2O1 ZINC000920241229 620792888 /nfs/dbraw/zinc/79/28/88/620792888.db2.gz OQBOSTPHXHJNQS-WQLSENKSSA-N -1 1 305.424 3.279 20 10 DGCDMM CCC(CC)(CNC(=O)NCc1cccc(Cl)c1[O-])OC ZINC000895035464 618516134 /nfs/dbraw/zinc/51/61/34/618516134.db2.gz KKJJHYKKBOJOGL-UHFFFAOYSA-N -1 1 314.813 3.050 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCCS1 ZINC000894128905 618716667 /nfs/dbraw/zinc/71/66/67/618716667.db2.gz KGLKUMKUJQKEHM-LLVKDONJSA-N -1 1 314.838 3.131 20 10 DGCDMM O=S(=O)(CC1CCCCC1)NCc1cccc(Cl)c1[O-] ZINC000908328191 620201836 /nfs/dbraw/zinc/20/18/36/620201836.db2.gz IKIRXAWNEYWMFZ-UHFFFAOYSA-N -1 1 317.838 3.045 20 10 DGCDMM CC(C)Cc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000755701907 621587058 /nfs/dbraw/zinc/58/70/58/621587058.db2.gz YYADFYHCRXJBBA-AQTBWJFISA-N -1 1 320.392 3.347 20 10 DGCDMM CC(C)Cn1ccnc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756596380 621651824 /nfs/dbraw/zinc/65/18/24/621651824.db2.gz CIWDXCRXMXZLGB-GFCCVEGCSA-N -1 1 318.377 3.004 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1cnn2c1CCCC2 ZINC000865709308 621981126 /nfs/dbraw/zinc/98/11/26/621981126.db2.gz FGYBEBKSARSVQJ-UHFFFAOYSA-N -1 1 322.206 3.300 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000867830518 622186745 /nfs/dbraw/zinc/18/67/45/622186745.db2.gz BBYNYTVLHRSFMD-NUGNTBJXSA-N -1 1 324.218 3.063 20 10 DGCDMM COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC=CCC1 ZINC000769381121 622522896 /nfs/dbraw/zinc/52/28/96/622522896.db2.gz LDEUYNWKPVERER-ZDUSSCGKSA-N -1 1 323.820 3.377 20 10 DGCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1F ZINC000789967553 625589024 /nfs/dbraw/zinc/58/90/24/625589024.db2.gz SAVKLBVGWVRVIU-UHFFFAOYSA-N -1 1 321.323 3.084 20 10 DGCDMM Cc1c(CNC(=O)c2c(F)ccc(O)c2[O-])oc2ccccc12 ZINC000789978680 625590042 /nfs/dbraw/zinc/59/00/42/625590042.db2.gz NPICLAJXPYFLKN-UHFFFAOYSA-N -1 1 315.300 3.222 20 10 DGCDMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(N(C)C)cc1 ZINC000775411032 623271128 /nfs/dbraw/zinc/27/11/28/623271128.db2.gz NQTAMRWADBWTHH-LLVKDONJSA-N -1 1 302.349 3.088 20 10 DGCDMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(F)c1[O-] ZINC000778519606 623663922 /nfs/dbraw/zinc/66/39/22/623663922.db2.gz JHRFUJRNVRYESC-AWEZNQCLSA-N -1 1 306.724 3.381 20 10 DGCDMM [O-]c1c(CNCc2ccn(C3CCCC3)n2)ccc(F)c1F ZINC000877099386 623791337 /nfs/dbraw/zinc/79/13/37/623791337.db2.gz FJUCMESXMBZVAD-UHFFFAOYSA-N -1 1 307.344 3.272 20 10 DGCDMM CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877845629 624066947 /nfs/dbraw/zinc/06/69/47/624066947.db2.gz WCXYEQDFDYBISA-AWEZNQCLSA-N -1 1 306.724 3.381 20 10 DGCDMM CC1(C)N[C@H](c2cccc(F)c2[O-])N(CC2CCCCC2)C1=O ZINC000877857006 624071429 /nfs/dbraw/zinc/07/14/29/624071429.db2.gz JYQOHAVOLBTDDM-INIZCTEOSA-N -1 1 320.408 3.321 20 10 DGCDMM C[C@@H]1CCC[C@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783339248 624338852 /nfs/dbraw/zinc/33/88/52/624338852.db2.gz BRZYAVAQGNGZHU-NEPJUHHUSA-N -1 1 306.358 3.040 20 10 DGCDMM C[C@@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783339254 624339068 /nfs/dbraw/zinc/33/90/68/624339068.db2.gz BRZYAVAQGNGZHU-VXGBXAGGSA-N -1 1 306.358 3.040 20 10 DGCDMM CCCCC[C@H](CC)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784543648 624546350 /nfs/dbraw/zinc/54/63/50/624546350.db2.gz HLMPMGVAALAZJX-LBPRGKRZSA-N -1 1 308.374 3.430 20 10 DGCDMM CC(=Cc1cccc([N+](=O)[O-])c1)C=C1SC(=S)[N-]C1=O ZINC000787166553 624984671 /nfs/dbraw/zinc/98/46/71/624984671.db2.gz ATXFFAWOTQUQJJ-XSIURBDDSA-N -1 1 306.368 3.030 20 10 DGCDMM COC[C@H](C)n1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000790988405 625731527 /nfs/dbraw/zinc/73/15/27/625731527.db2.gz OYDFDBLYVHDXCY-VIFPVBQESA-N -1 1 313.760 3.201 20 10 DGCDMM COCCOc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000882908280 625854027 /nfs/dbraw/zinc/85/40/27/625854027.db2.gz LHHWQULAMGFQDO-UHFFFAOYSA-N -1 1 309.312 3.308 20 10 DGCDMM COCCOc1ccccc1NCc1cc(F)cc(F)c1[O-] ZINC000883057683 625912926 /nfs/dbraw/zinc/91/29/26/625912926.db2.gz UVTPGKQKNXZOQF-UHFFFAOYSA-N -1 1 309.312 3.308 20 10 DGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135049158 626903456 /nfs/dbraw/zinc/90/34/56/626903456.db2.gz UCSHFIJCAOFQNK-LLVKDONJSA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135049158 626903457 /nfs/dbraw/zinc/90/34/57/626903457.db2.gz UCSHFIJCAOFQNK-LLVKDONJSA-N -1 1 311.809 3.368 20 10 DGCDMM O=C1NCc2c1cccc2NCc1cc(Cl)cc(F)c1[O-] ZINC000809721962 626940927 /nfs/dbraw/zinc/94/09/27/626940927.db2.gz HEHDNRUCGLNLFZ-UHFFFAOYSA-N -1 1 306.724 3.040 20 10 DGCDMM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc2C(=O)N1 ZINC000811508787 627284132 /nfs/dbraw/zinc/28/41/32/627284132.db2.gz CHAZQBXYDHLREP-LLVKDONJSA-N -1 1 316.788 3.184 20 10 DGCDMM Cc1ccc(C(N)=O)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525423 627802615 /nfs/dbraw/zinc/80/26/15/627802615.db2.gz SGDSPNJTMRPVQD-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM O=C(COC(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccc([O-])c(O)c1 ZINC000829746232 629187446 /nfs/dbraw/zinc/18/74/46/629187446.db2.gz PLCOODYOLKPGMQ-UONOGXRCSA-N -1 1 318.369 3.040 20 10 DGCDMM CC1(C)CC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000834476447 629715624 /nfs/dbraw/zinc/71/56/24/629715624.db2.gz YSKKGOSUKGIIHN-SNVBAGLBSA-N -1 1 312.207 3.207 20 10 DGCDMM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000840838694 630364965 /nfs/dbraw/zinc/36/49/65/630364965.db2.gz RSAPZEFQXAQYDV-HNNXBMFYSA-N -1 1 318.804 3.428 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000848640985 631715664 /nfs/dbraw/zinc/71/56/64/631715664.db2.gz XSXFEGDRMWGUEX-UHFFFAOYSA-N -1 1 304.173 3.138 20 10 DGCDMM CCn1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])nn1 ZINC000850522269 632178373 /nfs/dbraw/zinc/17/83/73/632178373.db2.gz KUWNKNWWZHCJHN-QMMMGPOBSA-N -1 1 315.204 3.161 20 10 DGCDMM CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000072748035 660217051 /nfs/dbraw/zinc/21/70/51/660217051.db2.gz CIWAQZLRJKGSHV-UHFFFAOYSA-N -1 1 318.804 3.384 20 10 DGCDMM Cc1ccncc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793342359 661025491 /nfs/dbraw/zinc/02/54/91/661025491.db2.gz ZKOMFYGNELLJJF-UHFFFAOYSA-N -1 1 321.764 3.289 20 10 DGCDMM CN(C)C(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195063854 656208406 /nfs/dbraw/zinc/20/84/06/656208406.db2.gz MKULPFFEHVNEPH-UHFFFAOYSA-N -1 1 322.767 3.499 20 10 DGCDMM Cc1cccc(C=C2SC(=S)[N-]C2=O)c1OC(F)F ZINC000182049668 660031471 /nfs/dbraw/zinc/03/14/71/660031471.db2.gz ZDQZCBBYJZTXAI-YVMONPNESA-N -1 1 301.339 3.085 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(n1)CCC2 ZINC000931674097 661496690 /nfs/dbraw/zinc/49/66/90/661496690.db2.gz YOIODPRPSTWACR-UHFFFAOYSA-N -1 1 317.776 3.251 20 10 DGCDMM C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])C=CCC1 ZINC000935662436 661800505 /nfs/dbraw/zinc/80/05/05/661800505.db2.gz FKVCYHQLMCTCQK-CQSZACIVSA-N -1 1 310.191 3.127 20 10 DGCDMM O=C1N[C@@H](c2cccc(Br)c2[O-])Nc2ccccc21 ZINC000048622095 661893482 /nfs/dbraw/zinc/89/34/82/661893482.db2.gz RKNNWEQEMYSHGH-ZDUSSCGKSA-N -1 1 319.158 3.009 20 10 DGCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1C(=O)[O-] ZINC000380164201 685151810 /nfs/dbraw/zinc/15/18/10/685151810.db2.gz ZYRZKXKSDMGCRH-GZMMTYOYSA-N -1 1 318.200 3.242 20 10 DGCDMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000399051357 685238967 /nfs/dbraw/zinc/23/89/67/685238967.db2.gz GOZOMAGYACPMGD-PSASIEDQSA-N -1 1 318.200 3.242 20 10 DGCDMM Cc1c(C(=O)[O-])cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1C ZINC001599995875 1192781140 /nfs/dbraw/zinc/78/11/40/1192781140.db2.gz VSRCFVVEBIQUDP-VIFPVBQESA-N -1 1 322.792 3.242 20 10 DGCDMM O=C(CNc1nccc2sccc21)c1ccc([O-])c(O)c1 ZINC001170314635 1177732827 /nfs/dbraw/zinc/73/28/27/1177732827.db2.gz VZNQGTSGEIKUJS-UHFFFAOYSA-N -1 1 300.339 3.002 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1csc([N+](=O)[O-])c1 ZINC001342952783 1179215152 /nfs/dbraw/zinc/21/51/52/1179215152.db2.gz SDRYTRDIQPCJGR-UHFFFAOYSA-N -1 1 324.705 3.098 20 10 DGCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC1 ZINC001603198972 1193010794 /nfs/dbraw/zinc/01/07/94/1193010794.db2.gz RIFKECUCFSSRRJ-MRVPVSSYSA-N -1 1 301.745 3.012 20 10 DGCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC001457035915 1182440582 /nfs/dbraw/zinc/44/05/82/1182440582.db2.gz LUGFBAODFMNNMW-UHFFFAOYSA-N -1 1 317.772 3.487 20 10 DGCDMM CCN(C)C(=O)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001461496113 1182819290 /nfs/dbraw/zinc/81/92/90/1182819290.db2.gz UEFXYAJEWGWGJK-UHFFFAOYSA-N -1 1 320.339 3.374 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC001606147478 1193191530 /nfs/dbraw/zinc/19/15/30/1193191530.db2.gz KQVHSQAHBBZWKU-OAHLLOKOSA-N -1 1 323.751 3.442 20 10 DGCDMM Cc1c(F)ccc(N)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001472316914 1183634028 /nfs/dbraw/zinc/63/40/28/1183634028.db2.gz MUSASKHLOZFNOE-UHFFFAOYSA-N -1 1 308.740 3.005 20 10 DGCDMM Cc1ccc(COCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001472317211 1183634559 /nfs/dbraw/zinc/63/45/59/1183634559.db2.gz ZUABQXYSCSQZRS-UHFFFAOYSA-N -1 1 319.788 3.187 20 10 DGCDMM CC[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC001472499474 1183649129 /nfs/dbraw/zinc/64/91/29/1183649129.db2.gz MNWXEQKEFGNHHZ-NSHDSACASA-N -1 1 303.333 3.161 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(OCC(F)F)n1 ZINC001474098519 1183867470 /nfs/dbraw/zinc/86/74/70/1183867470.db2.gz CLQJYWRMCDCNKB-UHFFFAOYSA-N -1 1 316.254 3.321 20 10 DGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1CC2CCC1CC2 ZINC001611538685 1193436784 /nfs/dbraw/zinc/43/67/84/1193436784.db2.gz ZUMWZWZDIQIFGL-HBIQZDMRSA-N -1 1 307.365 3.182 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1nc(C2CC2)cs1 ZINC001520804443 1186970230 /nfs/dbraw/zinc/97/02/30/1186970230.db2.gz YZNIOELNCXEDAU-UHFFFAOYSA-N -1 1 308.790 3.310 20 10 DGCDMM CCN(CC)c1ccc(CNC(=O)c2cccc([O-])c2F)cc1 ZINC001543179295 1188317884 /nfs/dbraw/zinc/31/78/84/1188317884.db2.gz FFPLDQGPYUVICZ-UHFFFAOYSA-N -1 1 316.376 3.308 20 10 DGCDMM CSc1cccnc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001563034246 1188890595 /nfs/dbraw/zinc/89/05/95/1188890595.db2.gz JMVKPXFDWNKGRY-UHFFFAOYSA-N -1 1 323.805 3.484 20 10 DGCDMM CCSc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001558756868 1189146218 /nfs/dbraw/zinc/14/62/18/1189146218.db2.gz FPEYYCULNIWMGJ-UHFFFAOYSA-N -1 1 322.817 3.483 20 10 DGCDMM COc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC001558757510 1189146446 /nfs/dbraw/zinc/14/64/46/1189146446.db2.gz HNLOJCVQRQMOER-UHFFFAOYSA-N -1 1 305.761 3.293 20 10 DGCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc2ccccc2o1 ZINC001558965901 1189159662 /nfs/dbraw/zinc/15/96/62/1189159662.db2.gz NZZCUOZCLZDNLP-VIFPVBQESA-N -1 1 315.300 3.474 20 10 DGCDMM CC[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1OC ZINC001559026633 1189163499 /nfs/dbraw/zinc/16/34/99/1189163499.db2.gz RRJKQFKPWUQMRJ-LBPRGKRZSA-N -1 1 319.332 3.127 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC001561006527 1189419851 /nfs/dbraw/zinc/41/98/51/1189419851.db2.gz UDWATOLFISJLNI-BBRMVZONSA-N -1 1 309.287 3.232 20 10 DGCDMM O=C(NCCc1ccccc1F)NCc1cccc(Cl)c1[O-] ZINC001563665608 1189526060 /nfs/dbraw/zinc/52/60/60/1189526060.db2.gz HNVWYZPFQNYQGD-UHFFFAOYSA-N -1 1 322.767 3.227 20 10 DGCDMM O=C(c1cc(NCc2cccc(Cl)c2[O-])c[nH]1)N1CCCC1 ZINC001621235555 1193820782 /nfs/dbraw/zinc/82/07/82/1193820782.db2.gz FWQSYXXPNAMKRJ-UHFFFAOYSA-N -1 1 319.792 3.222 20 10 DGCDMM Cc1ccc(O[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001637227322 1194658212 /nfs/dbraw/zinc/65/82/12/1194658212.db2.gz WVWOYNSWXWTLLK-GFCCVEGCSA-N -1 1 319.788 3.438 20 10 DGCDMM C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001637226979 1194658303 /nfs/dbraw/zinc/65/83/03/1194658303.db2.gz HWZQZWAEQWAETK-LLVKDONJSA-N -1 1 305.761 3.129 20 10 DGCDMM O=C(CCOCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001648605831 1195313162 /nfs/dbraw/zinc/31/31/62/1195313162.db2.gz AGEUIDQWIZQFTC-UHFFFAOYSA-N -1 1 319.788 3.269 20 10 DGCDMM COC(=O)[C@H](NCc1ccc(Cl)cc1[O-])c1cccs1 ZINC001652247697 1195568627 /nfs/dbraw/zinc/56/86/27/1195568627.db2.gz IOLXECWKFZJEAH-CYBMUJFWSA-N -1 1 311.790 3.111 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1c2ccccc2C[C@@H]1CO ZINC001652737261 1195642657 /nfs/dbraw/zinc/64/26/57/1195642657.db2.gz RHAGLFRURLWYTC-LLVKDONJSA-N -1 1 307.752 3.108 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1c2ccccc2C[C@H]1CO ZINC001652737201 1195642823 /nfs/dbraw/zinc/64/28/23/1195642823.db2.gz QBYWYDOVGATLCK-LBPRGKRZSA-N -1 1 307.752 3.108 20 10 DGCDMM CCc1ccc(O)c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001653567112 1195735438 /nfs/dbraw/zinc/73/54/38/1195735438.db2.gz LAFQHSGYJPNYOE-UHFFFAOYSA-N -1 1 305.761 3.244 20 10 DGCDMM CC(C)(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])o1 ZINC001654776735 1195839519 /nfs/dbraw/zinc/83/95/19/1195839519.db2.gz RCFZZPCMWVGSNC-UHFFFAOYSA-N -1 1 307.321 3.057 20 10 DGCDMM COc1cc(F)c(NCc2cc(F)cc(F)c2[O-])cc1OC ZINC001656040955 1195991376 /nfs/dbraw/zinc/99/13/76/1195991376.db2.gz OEURWYWOPACBHC-UHFFFAOYSA-N -1 1 313.275 3.439 20 10 DGCDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)cc(C(N)=O)c1 ZINC001657998603 1196200410 /nfs/dbraw/zinc/20/04/10/1196200410.db2.gz LAOWECQCMKQBPV-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1ccccc1-n1nccn1 ZINC001665683281 1197170752 /nfs/dbraw/zinc/17/07/52/1197170752.db2.gz RWUGOHJTPVSARD-UHFFFAOYSA-N -1 1 300.749 3.238 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc2c1OCO2 ZINC001668765059 1197428808 /nfs/dbraw/zinc/42/88/08/1197428808.db2.gz LFHWUIYXEBNNPV-UHFFFAOYSA-N -1 1 320.732 3.096 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc2c1CCO2 ZINC001671488835 1197542878 /nfs/dbraw/zinc/54/28/78/1197542878.db2.gz POMFCHXFPPELBA-UHFFFAOYSA-N -1 1 318.760 3.302 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001684056466 1199334853 /nfs/dbraw/zinc/33/48/53/1199334853.db2.gz XLXGEKQRLFSUEG-MDZLAQPJSA-N -1 1 308.809 3.281 20 10 DGCDMM C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2c1c(F)ccc2[O-] ZINC001589291462 953604021 /nfs/dbraw/zinc/60/40/21/953604021.db2.gz IVFRCODADDSPPC-ZUYNKMSQSA-N -1 1 307.365 3.313 20 10 DGCDMM C[C@@H]([NH2+]CCCCC(=O)[O-])c1cc(Br)ccc1[O-] ZINC001603248545 972413783 /nfs/dbraw/zinc/41/37/83/972413783.db2.gz GVJDHNQCYYMVNX-SECBINFHSA-N -1 1 316.195 3.060 20 10 DGCDMM C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593297888 994708560 /nfs/dbraw/zinc/70/85/60/994708560.db2.gz BPMNDRCSUKLKGM-CYBMUJFWSA-N -1 1 314.385 3.429 20 10 DGCDMM C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C(=O)[O-] ZINC000693494230 1082322453 /nfs/dbraw/zinc/32/24/53/1082322453.db2.gz HYOMNDODUQMEFA-GZMMTYOYSA-N -1 1 318.200 3.242 20 10 DGCDMM O=C(CNc1ccc2sccc2n1)c1ccc([O-])c(O)c1 ZINC001170316797 1082344819 /nfs/dbraw/zinc/34/48/19/1082344819.db2.gz OTFDSKRLCSBHQD-UHFFFAOYSA-N -1 1 300.339 3.002 20 10 DGCDMM Cc1ccc2cc(NCC(=O)c3ccc([O-])c(O)c3)ncc2c1 ZINC001170317072 1082344943 /nfs/dbraw/zinc/34/49/43/1082344943.db2.gz XPTRWMAUBFOJCJ-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM C=Cc1ccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc1 ZINC001155228831 1089015904 /nfs/dbraw/zinc/01/59/04/1089015904.db2.gz ZQTFTQHHHINDKO-UHFFFAOYSA-N -1 1 323.304 3.100 20 10 DGCDMM O=[N+]([O-])c1cncc(Cl)c1NCc1cccc(Cl)c1[O-] ZINC001164341476 1091405123 /nfs/dbraw/zinc/40/51/23/1091405123.db2.gz HJKGIKYRQBFRON-UHFFFAOYSA-N -1 1 314.128 3.036 20 10 DGCDMM [O-]c1cc(Cl)ccc1CN1[C@@H](C(F)(F)F)CCC[C@H]1CO ZINC001140461421 1091874956 /nfs/dbraw/zinc/87/49/56/1091874956.db2.gz LVVXMKDBJXULAU-WCQYABFASA-N -1 1 323.742 3.323 20 10 DGCDMM Cc1cc(C)c2c(c1)CCN(C(=O)c1c([O-])c(O)ccc1F)C2 ZINC001649153181 1095185395 /nfs/dbraw/zinc/18/53/95/1095185395.db2.gz BZXBLCBFQNSRGH-UHFFFAOYSA-N -1 1 315.344 3.052 20 10 DGCDMM [O-]c1c(F)cccc1CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001138129787 1095898212 /nfs/dbraw/zinc/89/82/12/1095898212.db2.gz WNLJXAWRZKSNEN-UHFFFAOYSA-N -1 1 323.371 3.411 20 10 DGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CCCC1 ZINC001227580402 1096954323 /nfs/dbraw/zinc/95/43/23/1096954323.db2.gz OUVNYSURTBJMTN-UHFFFAOYSA-N -1 1 308.333 3.489 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001231565606 1097780374 /nfs/dbraw/zinc/78/03/74/1097780374.db2.gz IDOUGZUYQXFBFS-HNNXBMFYSA-N -1 1 303.402 3.493 20 10 DGCDMM Cc1ccc2c(n1)N(C)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231910507 1097890367 /nfs/dbraw/zinc/89/03/67/1097890367.db2.gz RXKSBXYMGOKIAA-UHFFFAOYSA-N -1 1 317.820 3.201 20 10 DGCDMM [O-]c1cc(O)c(CN2CC(Oc3ccccc3F)C2)cc1Cl ZINC001232262569 1097984626 /nfs/dbraw/zinc/98/46/26/1097984626.db2.gz KFNDLQAUEUCDRP-UHFFFAOYSA-N -1 1 323.751 3.154 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCc2ncc(Cl)cc2C1 ZINC001233335793 1098291393 /nfs/dbraw/zinc/29/13/93/1098291393.db2.gz LWCISGZXAOXCML-UHFFFAOYSA-N -1 1 310.731 3.277 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CC(Oc2ccc(F)cc2)C1 ZINC001233334962 1098291571 /nfs/dbraw/zinc/29/15/71/1098291571.db2.gz BHUNKOKMACMWII-UHFFFAOYSA-N -1 1 309.287 3.073 20 10 DGCDMM [O-]c1c(CN2CCc3ncccc3C2)cccc1C(F)(F)F ZINC001233418407 1098325768 /nfs/dbraw/zinc/32/57/68/1098325768.db2.gz GCMKSSBOMFQETF-UHFFFAOYSA-N -1 1 308.303 3.364 20 10 DGCDMM [O-]c1c(CN2CCOC[C@H]2C2CC2)cccc1C(F)(F)F ZINC001233419484 1098325893 /nfs/dbraw/zinc/32/58/93/1098325893.db2.gz ZMOIEQLJDVEFQB-ZDUSSCGKSA-N -1 1 301.308 3.022 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOC(C)(C)C1 ZINC001233496376 1098351343 /nfs/dbraw/zinc/35/13/43/1098351343.db2.gz FUFLFRIMUNRKJC-NSHDSACASA-N -1 1 308.374 3.417 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)COCc1ccccc1 ZINC001234474963 1098564497 /nfs/dbraw/zinc/56/44/97/1098564497.db2.gz AYCZCSHIKNTULF-GFCCVEGCSA-N -1 1 316.353 3.285 20 10 DGCDMM Nc1cccc2c1CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001236365741 1099556472 /nfs/dbraw/zinc/55/64/72/1099556472.db2.gz UWFFBSIKMMNDIR-UHFFFAOYSA-N -1 1 306.768 3.325 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(F)c2ccccc21 ZINC001189349541 1100043274 /nfs/dbraw/zinc/04/32/74/1100043274.db2.gz XXDNWIMLFLOGSF-UHFFFAOYSA-N -1 1 317.341 3.485 20 10 DGCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)c2cc[nH]c2n1 ZINC001193219973 1100718589 /nfs/dbraw/zinc/71/85/89/1100718589.db2.gz OIWPICLNZNLUIH-UHFFFAOYSA-N -1 1 317.732 3.140 20 10 DGCDMM CC(=O)c1c(F)cccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193229004 1100722595 /nfs/dbraw/zinc/72/25/95/1100722595.db2.gz CERMBKNHPPEVRJ-UHFFFAOYSA-N -1 1 323.707 3.345 20 10 DGCDMM O=C(NCC[C@@H]1C[C@H]1C1CC1)NCc1cccc(Cl)c1[O-] ZINC001255405750 1106247162 /nfs/dbraw/zinc/24/71/62/1106247162.db2.gz WQRYBGBSOPLDTF-YPMHNXCESA-N -1 1 308.809 3.281 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc2ccccc2c1 ZINC000090662083 185308674 /nfs/dbraw/zinc/30/86/74/185308674.db2.gz BLYIIYKRANBINI-QGOAFFKASA-N -1 1 314.344 3.301 20 10 DGCDMM C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ncnn1C ZINC000276634596 299345379 /nfs/dbraw/zinc/34/53/79/299345379.db2.gz OBZRRQHXPMKTBH-YUMQZZPRSA-N -1 1 315.204 3.239 20 10 DGCDMM C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285724442 131196646 /nfs/dbraw/zinc/19/66/46/131196646.db2.gz QIDGRCZPAVYUMX-BDAKNGLRSA-N -1 1 323.299 3.385 20 10 DGCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287231335 131269947 /nfs/dbraw/zinc/26/99/47/131269947.db2.gz GQWXBFYLIZYQLZ-AMIZOPFISA-N -1 1 317.307 3.170 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ncc[nH]2)c1[O-] ZINC000376495651 433756068 /nfs/dbraw/zinc/75/60/68/433756068.db2.gz PSFIDRXKPTUCCK-AWEZNQCLSA-N -1 1 319.792 3.308 20 10 DGCDMM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529170894 340747504 /nfs/dbraw/zinc/74/75/04/340747504.db2.gz MAPQNCOENCBMRG-HJIKLVIJSA-N -1 1 324.218 3.063 20 10 DGCDMM CCc1cnc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273624091 536052300 /nfs/dbraw/zinc/05/23/00/536052300.db2.gz ZUZYXTSYMZQSAL-VIFPVBQESA-N -1 1 307.375 3.170 20 10 DGCDMM COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000728980875 575198907 /nfs/dbraw/zinc/19/89/07/575198907.db2.gz PCRUXIDBWWMPHL-VIFPVBQESA-N -1 1 321.760 3.251 20 10 DGCDMM CC[C@@H](C)Oc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC ZINC000749452932 576095785 /nfs/dbraw/zinc/09/57/85/576095785.db2.gz QMZOPILILVUZPV-PGEKAQRJSA-N -1 1 323.439 3.361 20 10 DGCDMM CC(=C\c1ccccc1)/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000728696739 576195760 /nfs/dbraw/zinc/19/57/60/576195760.db2.gz BPZSSABPRQNAQV-SWZGKVDCSA-N -1 1 304.349 3.094 20 10 DGCDMM CC(C)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590248 620637367 /nfs/dbraw/zinc/63/73/67/620637367.db2.gz RPILFTGXNFWYFC-UHFFFAOYSA-N -1 1 314.337 3.261 20 10 DGCDMM Cc1cc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000916591098 620637376 /nfs/dbraw/zinc/63/73/76/620637376.db2.gz PRZSHBVBKPKLLO-UHFFFAOYSA-N -1 1 314.337 3.063 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)ccc1O ZINC000227229600 604677598 /nfs/dbraw/zinc/67/75/98/604677598.db2.gz SZTXMRWUXIJTJZ-SWHYSGLUSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000227229600 604677600 /nfs/dbraw/zinc/67/76/00/604677600.db2.gz SZTXMRWUXIJTJZ-SWHYSGLUSA-N -1 1 309.793 3.263 20 10 DGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000227229600 604677603 /nfs/dbraw/zinc/67/76/03/604677603.db2.gz SZTXMRWUXIJTJZ-SWHYSGLUSA-N -1 1 309.793 3.263 20 10 DGCDMM CCC[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759720 617656440 /nfs/dbraw/zinc/65/64/40/617656440.db2.gz PFEITYYMZVZFEO-DGCLKSJQSA-N -1 1 311.809 3.257 20 10 DGCDMM Cc1csc([C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890759489 617656570 /nfs/dbraw/zinc/65/65/70/617656570.db2.gz LJAZADOAUBXMDY-VIFPVBQESA-N -1 1 310.806 3.230 20 10 DGCDMM CC(C)Oc1cncc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890760663 617657135 /nfs/dbraw/zinc/65/71/35/617657135.db2.gz VHQQURBUXUQKPG-UHFFFAOYSA-N -1 1 320.776 3.158 20 10 DGCDMM O=C(C[C@@H]1CCC2(CCC2)CO1)NCc1cccc(Cl)c1[O-] ZINC000890763204 617658381 /nfs/dbraw/zinc/65/83/81/617658381.db2.gz RNGMDQGNKVXFFQ-ZDUSSCGKSA-N -1 1 323.820 3.401 20 10 DGCDMM CC(C)[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890762871 617658481 /nfs/dbraw/zinc/65/84/81/617658481.db2.gz KNAWLXTTYQBSJY-RISCZKNCSA-N -1 1 311.809 3.113 20 10 DGCDMM Cn1nc(CNCc2cc(Cl)cc(F)c2[O-])cc1C1CC1 ZINC000897231415 619033262 /nfs/dbraw/zinc/03/32/62/619033262.db2.gz DSDKONHYRBXWES-UHFFFAOYSA-N -1 1 309.772 3.085 20 10 DGCDMM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000839132324 621338993 /nfs/dbraw/zinc/33/89/93/621338993.db2.gz YYFROEARBXINOP-PHIMTYICSA-N -1 1 300.185 3.395 20 10 DGCDMM CC(C)c1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756574594 621650296 /nfs/dbraw/zinc/65/02/96/621650296.db2.gz XUDOYRFNPCSIOV-SNVBAGLBSA-N -1 1 305.334 3.263 20 10 DGCDMM C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1[O-] ZINC000757614586 621728332 /nfs/dbraw/zinc/72/83/32/621728332.db2.gz VLXLRJZIIVGJPB-VIFPVBQESA-N -1 1 318.323 3.129 20 10 DGCDMM O=C(NCC1(c2ccccc2)CCC1)c1c(F)ccc(O)c1[O-] ZINC000789946866 625586299 /nfs/dbraw/zinc/58/62/99/625586299.db2.gz QVEQJJHWSQOKGR-UHFFFAOYSA-N -1 1 315.344 3.089 20 10 DGCDMM COc1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775291486 623249836 /nfs/dbraw/zinc/24/98/36/623249836.db2.gz JABVRGSLRZTILN-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM CCc1ccc([C@@H](COC)NCc2ccc(F)c(F)c2[O-])o1 ZINC000877043926 623774338 /nfs/dbraw/zinc/77/43/38/623774338.db2.gz SMROGNIQZNGBJV-CYBMUJFWSA-N -1 1 311.328 3.303 20 10 DGCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)CC(C)(C)C ZINC000783063930 624306160 /nfs/dbraw/zinc/30/61/60/624306160.db2.gz VZOAIOLOATWQGO-LLVKDONJSA-N -1 1 308.374 3.286 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCOCC2(CC2)C1 ZINC000783596382 624372712 /nfs/dbraw/zinc/37/27/12/624372712.db2.gz WWYDHXKJBZPIOT-UHFFFAOYSA-N -1 1 302.201 3.311 20 10 DGCDMM Cc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784352492 624509089 /nfs/dbraw/zinc/50/90/89/624509089.db2.gz QMFZYJQNCCOPOL-UHFFFAOYSA-N -1 1 320.728 3.099 20 10 DGCDMM CC[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000784861839 624589432 /nfs/dbraw/zinc/58/94/32/624589432.db2.gz NKHXIXVTWZYKAA-HAQNSBGRSA-N -1 1 306.358 3.040 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1cccc2c1OCC[C@@H]2O ZINC000883088302 625923703 /nfs/dbraw/zinc/92/37/03/625923703.db2.gz AHPHDQQDYOJTRB-AWEZNQCLSA-N -1 1 307.296 3.098 20 10 DGCDMM OCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1F ZINC000883152631 625945087 /nfs/dbraw/zinc/94/50/87/625945087.db2.gz BMISGFLYNUAKEF-OAHLLOKOSA-N -1 1 311.303 3.023 20 10 DGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000135050847 626903798 /nfs/dbraw/zinc/90/37/98/626903798.db2.gz ZWGMULXMXRFWQL-GFCCVEGCSA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000135050847 626903801 /nfs/dbraw/zinc/90/38/01/626903801.db2.gz ZWGMULXMXRFWQL-GFCCVEGCSA-N -1 1 311.809 3.368 20 10 DGCDMM [O-]c1c(Br)cccc1CNc1ccc(Cl)nn1 ZINC000811837129 627327558 /nfs/dbraw/zinc/32/75/58/627327558.db2.gz HLYODKWMKPUMAK-UHFFFAOYSA-N -1 1 314.570 3.210 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](CO)Cc2ccccc21 ZINC000814169761 627545672 /nfs/dbraw/zinc/54/56/72/627545672.db2.gz MNDYMCTYMHCHRD-LLVKDONJSA-N -1 1 321.779 3.356 20 10 DGCDMM Cc1ccc([C@H]2CCN(C(=O)c3c([O-])c(O)ccc3F)C2)cc1 ZINC000828316807 629044377 /nfs/dbraw/zinc/04/43/77/629044377.db2.gz NSLAJWIWSCLQSS-ZDUSSCGKSA-N -1 1 315.344 3.175 20 10 DGCDMM O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000840998763 630393253 /nfs/dbraw/zinc/39/32/53/630393253.db2.gz WHPLIORLNZQXRD-MRXNPFEDSA-N -1 1 317.360 3.097 20 10 DGCDMM O=C(COC(=O)C1CC2(C1)CCCCC2)c1ccc([O-])c(O)c1 ZINC000850072111 632047749 /nfs/dbraw/zinc/04/77/49/632047749.db2.gz KZVCRDINKZEFBX-UHFFFAOYSA-N -1 1 318.369 3.184 20 10 DGCDMM COc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])c(O)c1 ZINC000794380780 661081861 /nfs/dbraw/zinc/08/18/61/661081861.db2.gz CMKAEFBYIIAQFJ-UHFFFAOYSA-N -1 1 323.348 3.190 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(F)cc1C(F)(F)F ZINC000178764712 657043790 /nfs/dbraw/zinc/04/37/90/657043790.db2.gz PNZRBHWENXLRPE-BAQGIRSFSA-N -1 1 307.293 3.333 20 10 DGCDMM COc1ncccc1NCc1cccc(Br)c1[O-] ZINC000042412091 658772679 /nfs/dbraw/zinc/77/26/79/658772679.db2.gz ULLMEXWGIBWHNK-UHFFFAOYSA-N -1 1 309.163 3.170 20 10 DGCDMM Cc1nc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2[O-])sc1C ZINC000076904213 659373371 /nfs/dbraw/zinc/37/33/71/659373371.db2.gz NZWCNRPICAQGIT-UHFFFAOYSA-N -1 1 321.402 3.399 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCOCC23CCCC3)c1[O-] ZINC000388683182 685190373 /nfs/dbraw/zinc/19/03/73/685190373.db2.gz JDNUCNACGKCDHY-UHFFFAOYSA-N -1 1 323.820 3.393 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(-n2cncn2)cc1 ZINC001620842886 1192445339 /nfs/dbraw/zinc/44/53/39/1192445339.db2.gz XSIKHTPFOXUHAO-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(OC(F)F)nc1 ZINC001620913088 1192592903 /nfs/dbraw/zinc/59/29/03/1192592903.db2.gz SZCNWGVXGNLGFW-UHFFFAOYSA-N -1 1 302.227 3.279 20 10 DGCDMM CCc1csc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001670857833 1177304271 /nfs/dbraw/zinc/30/42/71/1177304271.db2.gz AJSGLGOXAQVHDM-UHFFFAOYSA-N -1 1 311.794 3.386 20 10 DGCDMM CC(C)(C)c1cnc(Sc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001603120659 1193008689 /nfs/dbraw/zinc/00/86/89/1193008689.db2.gz KKIUVFJCEDVUPZ-UHFFFAOYSA-N -1 1 318.431 3.167 20 10 DGCDMM CC(C)(C)c1cnc(Sc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001603120659 1193008692 /nfs/dbraw/zinc/00/86/92/1193008692.db2.gz KKIUVFJCEDVUPZ-UHFFFAOYSA-N -1 1 318.431 3.167 20 10 DGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001442339937 1182080695 /nfs/dbraw/zinc/08/06/95/1182080695.db2.gz CMSFBBSHDXHQKR-UHFFFAOYSA-N -1 1 316.376 3.260 20 10 DGCDMM CCCN(Cc1ccccc1O)[C@H](C(=O)[O-])c1ccsc1 ZINC001605320955 1193142977 /nfs/dbraw/zinc/14/29/77/1193142977.db2.gz XDBBXFXQOMEZSX-HNNXBMFYSA-N -1 1 305.399 3.492 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](c2ccccc2F)C1 ZINC001457832975 1182483674 /nfs/dbraw/zinc/48/36/74/1182483674.db2.gz JFYZSOBJWFTCQK-JTQLQIEISA-N -1 1 319.307 3.006 20 10 DGCDMM Cc1nocc1NCc1cc(Br)cc(F)c1[O-] ZINC001461731074 1182847407 /nfs/dbraw/zinc/84/74/07/1182847407.db2.gz QFAYMOSYLATCQJ-UHFFFAOYSA-N -1 1 301.115 3.202 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1Cc2ccccc2S1 ZINC001606860624 1193206370 /nfs/dbraw/zinc/20/63/70/1193206370.db2.gz OGDDXVZMDLHVRO-CQSZACIVSA-N -1 1 319.813 3.379 20 10 DGCDMM Cc1cccc(C)c1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC001606860990 1193206599 /nfs/dbraw/zinc/20/65/99/1193206599.db2.gz WCHTZOZRTWETMM-UHFFFAOYSA-N -1 1 319.788 3.358 20 10 DGCDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001471348758 1183557348 /nfs/dbraw/zinc/55/73/48/1183557348.db2.gz BDNCKNWUUYZAGI-FOUMNBMASA-N -1 1 308.809 3.137 20 10 DGCDMM Cc1cc([O-])c(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001607698719 1193249929 /nfs/dbraw/zinc/24/99/29/1193249929.db2.gz DUEDDUSNKSZFGX-HNNXBMFYSA-N -1 1 323.751 3.409 20 10 DGCDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610336234 1193383292 /nfs/dbraw/zinc/38/32/92/1193383292.db2.gz PSMOFVGHAJXYMT-MRXNPFEDSA-N -1 1 321.323 3.197 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cncc(Cl)c1 ZINC001563132731 1188510115 /nfs/dbraw/zinc/51/01/15/1188510115.db2.gz HJMLZBLIOOSPCG-UHFFFAOYSA-N -1 1 312.156 3.416 20 10 DGCDMM Cc1nc2cc(C(=O)NCc3cccc(Cl)c3[O-])ccc2o1 ZINC001558757840 1189146369 /nfs/dbraw/zinc/14/63/69/1189146369.db2.gz UVRNXCKPWGJHGF-UHFFFAOYSA-N -1 1 316.744 3.425 20 10 DGCDMM Cc1cccc([C@@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001558938995 1189157520 /nfs/dbraw/zinc/15/75/20/1189157520.db2.gz DQEMECWUNVLTIH-NSHDSACASA-N -1 1 303.333 3.079 20 10 DGCDMM CCNC(=O)c1ccc(C)c(NCc2cc(F)cc(F)c2[O-])c1 ZINC001560386237 1189321595 /nfs/dbraw/zinc/32/15/95/1189321595.db2.gz XGVLNQLDCWAVAG-UHFFFAOYSA-N -1 1 320.339 3.341 20 10 DGCDMM Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001637227323 1194658033 /nfs/dbraw/zinc/65/80/33/1194658033.db2.gz WVWOYNSWXWTLLK-LBPRGKRZSA-N -1 1 319.788 3.438 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCc2cccc(O)c21 ZINC001637226869 1194658059 /nfs/dbraw/zinc/65/80/59/1194658059.db2.gz CSPHTDKCTCVFPU-GFCCVEGCSA-N -1 1 317.772 3.097 20 10 DGCDMM Cc1ccccc1NCCC(=O)NCc1cccc(Cl)c1[O-] ZINC001648606159 1195312866 /nfs/dbraw/zinc/31/28/66/1195312866.db2.gz JSRBYSCTZWKODU-UHFFFAOYSA-N -1 1 318.804 3.472 20 10 DGCDMM O=C(CCc1ccccc1F)NCc1cccc(Cl)c1[O-] ZINC001648606754 1195313336 /nfs/dbraw/zinc/31/33/36/1195313336.db2.gz XQEHPXWDKDCEPZ-UHFFFAOYSA-N -1 1 307.752 3.434 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1-n1cccn1 ZINC001650712794 1195374032 /nfs/dbraw/zinc/37/40/32/1195374032.db2.gz DRFGLEFLQYQNNJ-UHFFFAOYSA-N -1 1 301.296 3.468 20 10 DGCDMM COC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001652216246 1195563088 /nfs/dbraw/zinc/56/30/88/1195563088.db2.gz WDHSVXIBKOZMNY-UHFFFAOYSA-N -1 1 323.295 3.078 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](C2CCCC2)C1 ZINC001654858826 1195847796 /nfs/dbraw/zinc/84/77/96/1195847796.db2.gz GZDNBIWAKXWVRH-LBPRGKRZSA-N -1 1 307.365 3.279 20 10 DGCDMM COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001658512995 1196267173 /nfs/dbraw/zinc/26/71/73/1196267173.db2.gz CRBGCORBJQCIFJ-INIZCTEOSA-N -1 1 321.323 3.017 20 10 DGCDMM COc1ccc(NCc2cc(F)cc(F)c2[O-])cc1NC(C)=O ZINC001661474389 1196609890 /nfs/dbraw/zinc/60/98/90/1196609890.db2.gz HYDSJGGMYLNLCN-UHFFFAOYSA-N -1 1 322.311 3.250 20 10 DGCDMM CCNC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001662601300 1196732830 /nfs/dbraw/zinc/73/28/30/1196732830.db2.gz VFXVNDBPISSOFQ-UHFFFAOYSA-N -1 1 306.312 3.032 20 10 DGCDMM O=C(NCCc1cccc(F)c1)NCc1cccc(Cl)c1[O-] ZINC001677778918 1198588023 /nfs/dbraw/zinc/58/80/23/1198588023.db2.gz OZUIYKAXAVOVFJ-UHFFFAOYSA-N -1 1 322.767 3.227 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@]12C[C@H]1CCCC2 ZINC001685297624 1199463289 /nfs/dbraw/zinc/46/32/89/1199463289.db2.gz FRVQCRYXFGGWGB-WBMJQRKESA-N -1 1 308.809 3.425 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1O ZINC000156401659 1202600569 /nfs/dbraw/zinc/60/05/69/1202600569.db2.gz MMFLSCIWZCPDFM-UHFFFAOYSA-N -1 1 314.366 3.050 20 10 DGCDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c1 ZINC000243977227 1203602334 /nfs/dbraw/zinc/60/23/34/1203602334.db2.gz SCOCTOKJYDFXSR-UHFFFAOYSA-N -1 1 304.415 3.170 20 10 DGCDMM CN(C)c1cc(F)c(CNCc2cccc(C(=O)[O-])c2)cc1F ZINC001573991202 961828702 /nfs/dbraw/zinc/82/87/02/961828702.db2.gz CQRRFKLPTAWRQQ-UHFFFAOYSA-N -1 1 320.339 3.019 20 10 DGCDMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001606126285 973370231 /nfs/dbraw/zinc/37/02/31/973370231.db2.gz XOZAHWXGRLBEPM-SNVBAGLBSA-N -1 1 315.772 3.262 20 10 DGCDMM CN(C)c1ccc(CN(Cc2occc2C(=O)[O-])C2CC2)cc1 ZINC001598317701 991306493 /nfs/dbraw/zinc/30/64/93/991306493.db2.gz KFHPDNDQWXAORM-UHFFFAOYSA-N -1 1 314.385 3.208 20 10 DGCDMM C[C@H](NCc1ccc(N2CCCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593297889 994708157 /nfs/dbraw/zinc/70/81/57/994708157.db2.gz BPMNDRCSUKLKGM-ZDUSSCGKSA-N -1 1 314.385 3.429 20 10 DGCDMM C[C@H](NCc1ccc2c(c1)CCCN2C)c1cc(C(=O)[O-])co1 ZINC001593304690 994752606 /nfs/dbraw/zinc/75/26/06/994752606.db2.gz PHVYVORBRPDPNU-LBPRGKRZSA-N -1 1 314.385 3.211 20 10 DGCDMM O=C(CNc1cncc2c(F)cccc12)c1ccc([O-])c(O)c1 ZINC001170321653 1082345297 /nfs/dbraw/zinc/34/52/97/1082345297.db2.gz BSLHNGTUNCCKFZ-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM COc1cc(Cl)cc(C)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315826 1082345349 /nfs/dbraw/zinc/34/53/49/1082345349.db2.gz HGVIHLSKFOOVBO-UHFFFAOYSA-N -1 1 321.760 3.363 20 10 DGCDMM O=C(CNc1cc(F)cc2cc[nH]c21)c1ccc([O-])c(O)c1 ZINC001170314892 1082345358 /nfs/dbraw/zinc/34/53/58/1082345358.db2.gz KCPVAJKGRWQCTK-UHFFFAOYSA-N -1 1 300.289 3.013 20 10 DGCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)cc2cccnc12 ZINC001170322144 1082346631 /nfs/dbraw/zinc/34/66/31/1082346631.db2.gz FUAOUQYOHXOVBG-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM NC(=O)N=Nc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625897240 1083520525 /nfs/dbraw/zinc/52/05/25/1083520525.db2.gz WNYMUFUCQBQLNE-UHFFFAOYSA-N -1 1 320.255 3.085 20 10 DGCDMM Cc1cccc2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc12 ZINC001159272028 1088266308 /nfs/dbraw/zinc/26/63/08/1088266308.db2.gz IQESNYVWQGQTAX-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM O=C(CNc1cc2ccsc2cn1)c1ccc([O-])c(O)c1 ZINC001159278946 1088268327 /nfs/dbraw/zinc/26/83/27/1088268327.db2.gz GSPMYYAUGKELFM-UHFFFAOYSA-N -1 1 300.339 3.002 20 10 DGCDMM O=C(CNc1ccc2cccc(F)c2n1)c1ccc([O-])c(O)c1 ZINC001159278837 1088268643 /nfs/dbraw/zinc/26/86/43/1088268643.db2.gz DHFZFUVUPVUUIJ-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM Cc1cc(Cl)c(C)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159279724 1088269465 /nfs/dbraw/zinc/26/94/65/1088269465.db2.gz WDBIIXVTSFXNAY-UHFFFAOYSA-N -1 1 306.749 3.058 20 10 DGCDMM [O-]c1c(F)ccc(F)c1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001139685763 1091641393 /nfs/dbraw/zinc/64/13/93/1091641393.db2.gz WDVXSZSAGDAVSI-VXNVDRBHSA-N -1 1 313.241 3.250 20 10 DGCDMM O=C(c1ccccc1)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688025 1091643593 /nfs/dbraw/zinc/64/35/93/1091643593.db2.gz WLYZPBCSNKTWLD-CYBMUJFWSA-N -1 1 317.335 3.375 20 10 DGCDMM CCOC(=O)c1coc2c1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465557 1091878899 /nfs/dbraw/zinc/87/88/99/1091878899.db2.gz NQQMLHVGFSRPNR-UHFFFAOYSA-N -1 1 321.760 3.331 20 10 DGCDMM O=C(c1ccccc1)[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585490 1091921282 /nfs/dbraw/zinc/92/12/82/1091921282.db2.gz KJIIMWKAXNQTCP-ZDUSSCGKSA-N -1 1 317.335 3.375 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC001137841778 1095759925 /nfs/dbraw/zinc/75/99/25/1095759925.db2.gz UYAHVUHEUZSVJC-INIZCTEOSA-N -1 1 305.324 3.244 20 10 DGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1C=CCC1 ZINC001227579999 1096954035 /nfs/dbraw/zinc/95/40/35/1096954035.db2.gz DJHCVOFQNRQBAB-NSHDSACASA-N -1 1 306.317 3.265 20 10 DGCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1C=CCC1 ZINC001228111534 1097052823 /nfs/dbraw/zinc/05/28/23/1097052823.db2.gz VHIRPXQYUXNSPG-CYBMUJFWSA-N -1 1 312.321 3.132 20 10 DGCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001228116307 1097054040 /nfs/dbraw/zinc/05/40/40/1097054040.db2.gz XVOTZEHNWOTZMC-SNVBAGLBSA-N -1 1 314.337 3.212 20 10 DGCDMM CN(Cc1ccc(C(=O)[O-])cc1O)Cc1ccccc1Cl ZINC001231451769 1097752143 /nfs/dbraw/zinc/75/21/43/1097752143.db2.gz UQVNTOBNMRLSAV-UHFFFAOYSA-N -1 1 305.761 3.376 20 10 DGCDMM CN(Cc1ccc(C(=O)[O-])cc1O)Cc1ccc(F)cc1F ZINC001231454137 1097753542 /nfs/dbraw/zinc/75/35/42/1097753542.db2.gz OJXRSMZVEWIULB-UHFFFAOYSA-N -1 1 307.296 3.001 20 10 DGCDMM O=C([O-])c1ccc(O)c(CN2CCc3ccc(Cl)cc3C2)c1 ZINC001231559351 1097779147 /nfs/dbraw/zinc/77/91/47/1097779147.db2.gz BFHNNGXZULRWSR-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001231565408 1097780183 /nfs/dbraw/zinc/78/01/83/1097780183.db2.gz VBRIUGRAOXLRAW-OAHLLOKOSA-N -1 1 311.381 3.155 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ncccn1 ZINC001233495622 1098350510 /nfs/dbraw/zinc/35/05/10/1098350510.db2.gz QCEMUNOMVCJJAI-JTQLQIEISA-N -1 1 302.330 3.011 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2cc[nH]c2c1 ZINC001180409910 1099411251 /nfs/dbraw/zinc/41/12/51/1099411251.db2.gz IIURIZBYDXGEEL-UHFFFAOYSA-N -1 1 300.745 3.457 20 10 DGCDMM COC(=O)[C@@]1(C)CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794073 1099786976 /nfs/dbraw/zinc/78/69/76/1099786976.db2.gz PBMWOGHBJAAGOY-CQSZACIVSA-N -1 1 318.200 3.227 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237124493 1099984267 /nfs/dbraw/zinc/98/42/67/1099984267.db2.gz MOWHFNROFHXRGJ-GFCCVEGCSA-N -1 1 322.767 3.233 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCOC[C@@H]1c1cccnc1 ZINC001237130507 1099986402 /nfs/dbraw/zinc/98/64/02/1099986402.db2.gz NCPVNBJLHVVMQO-CQSZACIVSA-N -1 1 322.767 3.153 20 10 DGCDMM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c([O-])ccc(F)c1Cl ZINC001237131869 1099986655 /nfs/dbraw/zinc/98/66/55/1099986655.db2.gz YAVSSOJSFWEZJW-VIFPVBQESA-N -1 1 317.788 3.347 20 10 DGCDMM Cc1noc([C@@H]2CCCN2Cc2cc(F)c(Cl)cc2[O-])n1 ZINC001237950231 1100301560 /nfs/dbraw/zinc/30/15/60/1100301560.db2.gz REMRZLDDKGELOR-LBPRGKRZSA-N -1 1 311.744 3.213 20 10 DGCDMM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(O)c([O-])c1Cl ZINC001193236468 1100719306 /nfs/dbraw/zinc/71/93/06/1100719306.db2.gz DPLFPPOFDZVJJZ-ZETCQYMHSA-N -1 1 305.708 3.059 20 10 DGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1cccc(Cl)c1 ZINC001256784662 1106482715 /nfs/dbraw/zinc/48/27/15/1106482715.db2.gz AETAOQKQLLTJLJ-UHFFFAOYSA-N -1 1 319.716 3.125 20 10 DGCDMM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001259203974 1107097875 /nfs/dbraw/zinc/09/78/75/1107097875.db2.gz BRDFHZKOSPLWDN-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259311512 1107123588 /nfs/dbraw/zinc/12/35/88/1107123588.db2.gz GZKSKSULXJJAIW-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM C[C@@H](CC1CCCCC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001320880305 1107174342 /nfs/dbraw/zinc/17/43/42/1107174342.db2.gz YUHWMMPMWXIIPC-LBPRGKRZSA-N -1 1 320.385 3.430 20 10 DGCDMM CC(C)c1nnc2n1CCN(Cc1ccc(Cl)cc1[O-])[C@H]2C ZINC001474762708 1107435767 /nfs/dbraw/zinc/43/57/67/1107435767.db2.gz UQEPJVRVCIWAPA-NSHDSACASA-N -1 1 320.824 3.337 20 10 DGCDMM O=C1CCN(Cc2cc(F)cc(F)c2[O-])c2ccccc2N1 ZINC001308795767 1111476459 /nfs/dbraw/zinc/47/64/59/1111476459.db2.gz AAEVFYGDLMDXCZ-UHFFFAOYSA-N -1 1 304.296 3.019 20 10 DGCDMM C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1nncn1C ZINC000273568653 296150340 /nfs/dbraw/zinc/15/03/40/296150340.db2.gz KDSLJHUWDRDUCR-JGVFFNPUSA-N -1 1 315.204 3.239 20 10 DGCDMM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1c(F)cncc1F ZINC000285724448 131196019 /nfs/dbraw/zinc/19/60/19/131196019.db2.gz QIDGRCZPAVYUMX-DTWKUNHWSA-N -1 1 323.299 3.385 20 10 DGCDMM CC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277582073 280115032 /nfs/dbraw/zinc/11/50/32/280115032.db2.gz RMEMWLKHSCZWJB-NXEZZACHSA-N -1 1 314.223 3.453 20 10 DGCDMM CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187754907 432683540 /nfs/dbraw/zinc/68/35/40/432683540.db2.gz DDANUTCSZLZXBW-JOYOIKCWSA-N -1 1 322.359 3.010 20 10 DGCDMM COc1ccccc1N(CCO)Cc1cccc(Cl)c1[O-] ZINC000290264088 433023780 /nfs/dbraw/zinc/02/37/80/433023780.db2.gz XANWVZRJSWOKSU-UHFFFAOYSA-N -1 1 307.777 3.053 20 10 DGCDMM CCCc1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000293903846 433916495 /nfs/dbraw/zinc/91/64/95/433916495.db2.gz ZTOCKMFCYBBPPJ-SNVBAGLBSA-N -1 1 319.361 3.400 20 10 DGCDMM [O-]c1c(Cl)cccc1CN1C[C@@H](CO)Cc2ccccc21 ZINC000367788526 434557597 /nfs/dbraw/zinc/55/75/97/434557597.db2.gz BIDBPVNXHFEYAW-LBPRGKRZSA-N -1 1 303.789 3.217 20 10 DGCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])c1cccs1 ZINC000276662266 535139404 /nfs/dbraw/zinc/13/94/04/535139404.db2.gz YFAQPZRRLLFMSX-UHFFFAOYSA-N -1 1 309.362 3.006 20 10 DGCDMM O=C([O-])c1ccc(CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000740132827 574925131 /nfs/dbraw/zinc/92/51/31/574925131.db2.gz LEYMRBBGGNJJTO-UHFFFAOYSA-N -1 1 314.385 3.258 20 10 DGCDMM CC[C@H](C)Oc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC ZINC000749452884 576095723 /nfs/dbraw/zinc/09/57/23/576095723.db2.gz QMZOPILILVUZPV-LMRAXHDRSA-N -1 1 323.439 3.361 20 10 DGCDMM CCS[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000890757892 617655751 /nfs/dbraw/zinc/65/57/51/617655751.db2.gz MBFNSUOININVKW-CYBMUJFWSA-N -1 1 301.839 3.440 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCCCC(=O)C1 ZINC000890759266 617656387 /nfs/dbraw/zinc/65/63/87/617656387.db2.gz IYMMXDCTWBCXIY-NSHDSACASA-N -1 1 309.793 3.201 20 10 DGCDMM Cc1nn(C(C)(C)C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759261 617656432 /nfs/dbraw/zinc/65/64/32/617656432.db2.gz IVQQALSCBMOKSG-UHFFFAOYSA-N -1 1 321.808 3.236 20 10 DGCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])c1ccccn1 ZINC000890759258 617656469 /nfs/dbraw/zinc/65/64/69/617656469.db2.gz IQSJPTLRZGNLJN-UHFFFAOYSA-N -1 1 304.777 3.035 20 10 DGCDMM CC[C@H](C)CC[C@H](O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759093 617656605 /nfs/dbraw/zinc/65/66/05/617656605.db2.gz BZIWSMOCLONTCQ-AAEUAGOBSA-N -1 1 313.825 3.239 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000890763153 617658354 /nfs/dbraw/zinc/65/83/54/617658354.db2.gz PGXXDGMZMMFEQJ-LLVKDONJSA-N -1 1 309.793 3.011 20 10 DGCDMM CC1=C(C(=O)NCc2cccc(Cl)c2[O-])CCN1C(C)C ZINC000890763285 617658858 /nfs/dbraw/zinc/65/88/58/617658858.db2.gz ROCGWKFPVRAJGN-UHFFFAOYSA-N -1 1 308.809 3.050 20 10 DGCDMM C[C@@H](CCc1ccco1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000891587665 617844948 /nfs/dbraw/zinc/84/49/48/617844948.db2.gz XNBUQOMDLCXAGU-NSHDSACASA-N -1 1 322.792 3.459 20 10 DGCDMM C[C@H](Cc1ccco1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000891909746 617925131 /nfs/dbraw/zinc/92/51/31/617925131.db2.gz YOQDLUQCYCFPTD-SNVBAGLBSA-N -1 1 308.765 3.069 20 10 DGCDMM O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(O)cc1[O-] ZINC000920007718 620777127 /nfs/dbraw/zinc/77/71/27/620777127.db2.gz LWSLZOJLSWJNRU-UHFFFAOYSA-N -1 1 312.369 3.340 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCC(F)(F)C1 ZINC000893750515 618658770 /nfs/dbraw/zinc/65/87/70/618658770.db2.gz UKOTVAVPJDVYOI-SNVBAGLBSA-N -1 1 318.751 3.423 20 10 DGCDMM CCc1nc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000756555650 621647588 /nfs/dbraw/zinc/64/75/88/621647588.db2.gz UHCZRVOFTGVIIL-SECBINFHSA-N -1 1 307.375 3.170 20 10 DGCDMM C[C@@H](NCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756777801 621663843 /nfs/dbraw/zinc/66/38/43/621663843.db2.gz LDRSVLOSMAHPFD-MRVPVSSYSA-N -1 1 300.189 3.283 20 10 DGCDMM C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)cc(F)c1[O-] ZINC000756857984 621668943 /nfs/dbraw/zinc/66/89/43/621668943.db2.gz ZKROGFFUKZGMPY-QMMMGPOBSA-N -1 1 320.295 3.288 20 10 DGCDMM O=C(NCC1(C(F)(F)F)CCCC1)c1c(F)ccc(O)c1[O-] ZINC000863943323 621720481 /nfs/dbraw/zinc/72/04/81/621720481.db2.gz XMTDJQLENRRBHB-UHFFFAOYSA-N -1 1 321.270 3.089 20 10 DGCDMM CCC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000759419257 621856144 /nfs/dbraw/zinc/85/61/44/621856144.db2.gz QKVCCYYZBXQHNL-AWEZNQCLSA-N -1 1 311.809 3.249 20 10 DGCDMM Cc1nc(C)c(C)c(NCc2cccc(Br)c2[O-])n1 ZINC000764933515 622234115 /nfs/dbraw/zinc/23/41/15/622234115.db2.gz DYFVIWCYFSNENN-UHFFFAOYSA-N -1 1 322.206 3.482 20 10 DGCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000765750722 622285223 /nfs/dbraw/zinc/28/52/23/622285223.db2.gz KVEAHBRDASVOEZ-SECBINFHSA-N -1 1 314.223 3.453 20 10 DGCDMM O=C(/C=C/c1ccco1)NCc1cccc(Br)c1[O-] ZINC000765765392 622285864 /nfs/dbraw/zinc/28/58/64/622285864.db2.gz RRZWNYQWPKCWFL-VOTSOKGWSA-N -1 1 322.158 3.077 20 10 DGCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1ccc([O-])c(F)c1 ZINC000768291682 622448876 /nfs/dbraw/zinc/44/88/76/622448876.db2.gz FABSIXJRJVTUBR-UHFFFAOYSA-N -1 1 315.344 3.046 20 10 DGCDMM C[C@H]1SCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000769445595 622528103 /nfs/dbraw/zinc/52/81/03/622528103.db2.gz HKJQVAKWLGOATB-RKDXNWHRSA-N -1 1 316.810 3.280 20 10 DGCDMM O=C(NCCCc1ccc(Cl)cc1)c1c([O-])c(O)ccc1F ZINC000789967512 625588723 /nfs/dbraw/zinc/58/87/23/625588723.db2.gz QUSHRAWKCITBPA-UHFFFAOYSA-N -1 1 323.751 3.253 20 10 DGCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)[C@H](C)c1ccccc1 ZINC000789991709 625591745 /nfs/dbraw/zinc/59/17/45/625591745.db2.gz ZLQFTAXGJRYLHH-WDEREUQCSA-N -1 1 303.333 3.159 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1cccc(-c2nc[nH]n2)c1 ZINC000775748616 623324389 /nfs/dbraw/zinc/32/43/89/623324389.db2.gz HUXCQVACZVJFCZ-UHFFFAOYSA-N -1 1 300.749 3.443 20 10 DGCDMM CC(C)c1ncc(CN(C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877499864 623913298 /nfs/dbraw/zinc/91/32/98/623913298.db2.gz VYCCQUGDMRZLSL-UHFFFAOYSA-N -1 1 307.344 3.216 20 10 DGCDMM CC1(C)CCc2onc(CNCc3ccc(F)c(F)c3[O-])c2C1 ZINC000877810576 624042121 /nfs/dbraw/zinc/04/21/21/624042121.db2.gz WSDSRENKMJFKNQ-UHFFFAOYSA-N -1 1 322.355 3.463 20 10 DGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)ccc1[O-] ZINC000877857402 624071520 /nfs/dbraw/zinc/07/15/20/624071520.db2.gz QPMDQKHZWILKJN-CYBMUJFWSA-N -1 1 310.825 3.301 20 10 DGCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)CC(C)(C)C ZINC000783063931 624306282 /nfs/dbraw/zinc/30/62/82/624306282.db2.gz VZOAIOLOATWQGO-NSHDSACASA-N -1 1 308.374 3.286 20 10 DGCDMM C[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783672655 624382013 /nfs/dbraw/zinc/38/20/13/624382013.db2.gz IVTWMQOVMOFSST-NSHDSACASA-N -1 1 306.358 3.040 20 10 DGCDMM CO[C@H]1Cc2ccc(NCc3cc(F)cc(F)c3[O-])cc2C1 ZINC000883086617 625922357 /nfs/dbraw/zinc/92/23/57/625922357.db2.gz AJVZYFVASLJTSY-HNNXBMFYSA-N -1 1 305.324 3.396 20 10 DGCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])nn1CC(F)(F)F ZINC000883147390 625942290 /nfs/dbraw/zinc/94/22/90/625942290.db2.gz TZZQVADKASKZBU-UHFFFAOYSA-N -1 1 321.249 3.350 20 10 DGCDMM C[C@H](O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1F ZINC000883157494 625946699 /nfs/dbraw/zinc/94/66/99/625946699.db2.gz AEBYVXNUVURICO-BJOHPYRUSA-N -1 1 311.303 3.021 20 10 DGCDMM C[C@H](N[C@H](CO)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886547886 627160854 /nfs/dbraw/zinc/16/08/54/627160854.db2.gz SZDWDYZZULCIBA-TVQRCGJNSA-N -1 1 311.303 3.194 20 10 DGCDMM COC(=O)c1cnc([C@H](C)N[C@@H](C)c2c([O-])cccc2F)s1 ZINC000886629539 627176663 /nfs/dbraw/zinc/17/66/63/627176663.db2.gz HRWDXTVXBZMKQD-IUCAKERBSA-N -1 1 324.377 3.186 20 10 DGCDMM O=C1OCc2c1cccc2NCc1cc(Cl)c(F)cc1[O-] ZINC000816613452 627815391 /nfs/dbraw/zinc/81/53/91/627815391.db2.gz VDNQTURQMKMSOL-UHFFFAOYSA-N -1 1 307.708 3.467 20 10 DGCDMM O=C(NC[C@H](c1ccccc1)C1CC1)c1c(F)ccc(O)c1[O-] ZINC000832826826 629519334 /nfs/dbraw/zinc/51/93/34/629519334.db2.gz ZHYCBTBZFOXUJW-CYBMUJFWSA-N -1 1 315.344 3.161 20 10 DGCDMM CC1(C)CC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000834476445 629715622 /nfs/dbraw/zinc/71/56/22/629715622.db2.gz YSKKGOSUKGIIHN-JTQLQIEISA-N -1 1 312.207 3.207 20 10 DGCDMM CCCc1ncc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000834899191 629802040 /nfs/dbraw/zinc/80/20/40/629802040.db2.gz JIMIZCJOYVOBCD-JTQLQIEISA-N -1 1 305.334 3.092 20 10 DGCDMM O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000840998762 630393226 /nfs/dbraw/zinc/39/32/26/630393226.db2.gz WHPLIORLNZQXRD-INIZCTEOSA-N -1 1 317.360 3.097 20 10 DGCDMM CC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CCCO1 ZINC000305961582 655572496 /nfs/dbraw/zinc/57/24/96/655572496.db2.gz PBSHMNPLLZSHCA-LBPRGKRZSA-N -1 1 314.223 3.156 20 10 DGCDMM CNC(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1C ZINC000158037611 659135650 /nfs/dbraw/zinc/13/56/50/659135650.db2.gz ZPIRMEOPGCUVNZ-UHFFFAOYSA-N -1 1 304.777 3.326 20 10 DGCDMM Cc1nc(-c2cccc(NCc3cc(F)cc(F)c3[O-])c2)n[nH]1 ZINC001620847630 1192451388 /nfs/dbraw/zinc/45/13/88/1192451388.db2.gz GHULXEQMUXNWJY-UHFFFAOYSA-N -1 1 316.311 3.376 20 10 DGCDMM CC(C)n1cc(NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001333472379 1178610399 /nfs/dbraw/zinc/61/03/99/1178610399.db2.gz SYJCIHMADFPAFF-UHFFFAOYSA-N -1 1 308.769 3.145 20 10 DGCDMM COc1ccc(CC(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001457036497 1182440461 /nfs/dbraw/zinc/44/04/61/1182440461.db2.gz IFLADPSULRLMHN-UHFFFAOYSA-N -1 1 323.751 3.052 20 10 DGCDMM O=C(CSc1ncc(Cl)s1)c1ccc([O-])c(O)c1 ZINC001459202530 1182573417 /nfs/dbraw/zinc/57/34/17/1182573417.db2.gz WETDTGYRSDTTSK-UHFFFAOYSA-N -1 1 301.776 3.183 20 10 DGCDMM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001461977873 1182890067 /nfs/dbraw/zinc/89/00/67/1182890067.db2.gz SXWPQORNCYVJLE-UHFFFAOYSA-N -1 1 320.295 3.137 20 10 DGCDMM C[C@@H]1Cc2cccc(C(=O)NCc3cccc(Cl)c3[O-])c2O1 ZINC001472316973 1183634238 /nfs/dbraw/zinc/63/42/38/1183634238.db2.gz PLVGARUDVJQUEM-SNVBAGLBSA-N -1 1 317.772 3.299 20 10 DGCDMM CO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001472317014 1183634372 /nfs/dbraw/zinc/63/43/72/1183634372.db2.gz QYNBGXADBSGHJW-OAHLLOKOSA-N -1 1 305.761 3.050 20 10 DGCDMM CCn1cc(Cl)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001653567317 1195734887 /nfs/dbraw/zinc/73/48/87/1195734887.db2.gz ULGJYMKUDCEWJN-UHFFFAOYSA-N -1 1 313.184 3.450 20 10 DGCDMM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])c2ccccc2NC1=O ZINC001474523210 1183935030 /nfs/dbraw/zinc/93/50/30/1183935030.db2.gz SFBRLUNPFRHMII-JTQLQIEISA-N -1 1 318.323 3.265 20 10 DGCDMM Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811283 1193259891 /nfs/dbraw/zinc/25/98/91/1193259891.db2.gz OYVNHSDMFYKYSY-NXEZZACHSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C([O-])c1ccc(Cl)c(CNCc2ccc3c(c2)CCO3)c1 ZINC001608892067 1193311244 /nfs/dbraw/zinc/31/12/44/1193311244.db2.gz BOLNHDGJWQLHLY-UHFFFAOYSA-N -1 1 317.772 3.263 20 10 DGCDMM CC(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001609850369 1193361010 /nfs/dbraw/zinc/36/10/10/1193361010.db2.gz HGHKYDMNUVDNDF-UHFFFAOYSA-N -1 1 303.333 3.290 20 10 DGCDMM O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001610741883 1193406330 /nfs/dbraw/zinc/40/63/30/1193406330.db2.gz IWYAGRPEWWBUBV-GFCCVEGCSA-N -1 1 301.745 3.014 20 10 DGCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1c(F)cccc1F ZINC001611666827 1193439896 /nfs/dbraw/zinc/43/98/96/1193439896.db2.gz CQINUPJMAXMEEM-SSDOTTSWSA-N -1 1 311.259 3.006 20 10 DGCDMM COc1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(C)c1 ZINC001558757077 1189146711 /nfs/dbraw/zinc/14/67/11/1189146711.db2.gz NYDCGDWGFMWKIA-UHFFFAOYSA-N -1 1 305.761 3.293 20 10 DGCDMM O=C(NC1CCC(C2CCC2)CC1)c1c(F)ccc(O)c1[O-] ZINC001559017584 1189163027 /nfs/dbraw/zinc/16/30/27/1189163027.db2.gz RWNPXDYBIJSBLC-UHFFFAOYSA-N -1 1 307.365 3.326 20 10 DGCDMM Cn1cc(-c2cccc(NCc3cc(F)cc(F)c3[O-])c2)nn1 ZINC001560539072 1189338552 /nfs/dbraw/zinc/33/85/52/1189338552.db2.gz NXARWQRMAJZTAB-UHFFFAOYSA-N -1 1 316.311 3.078 20 10 DGCDMM C[S@](=N)(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001621078221 1193799658 /nfs/dbraw/zinc/79/96/58/1193799658.db2.gz HATUAEGKQDPKAZ-NRFANRHFSA-N -1 1 312.341 3.318 20 10 DGCDMM O=C(Nc1ccc(Br)c([O-])c1)C1=CC(=O)CS1 ZINC001638628531 1194728966 /nfs/dbraw/zinc/72/89/66/1194728966.db2.gz TYHDRURLFXOSBS-UHFFFAOYSA-N -1 1 314.160 3.174 20 10 DGCDMM COc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001640405519 1194811486 /nfs/dbraw/zinc/81/14/86/1194811486.db2.gz WBLXXUTUJPFIIF-YFHOEESVSA-N -1 1 317.772 3.384 20 10 DGCDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC001647830420 1195257083 /nfs/dbraw/zinc/25/70/83/1195257083.db2.gz VXHYHFZUWJBJQA-JTQLQIEISA-N -1 1 305.761 3.171 20 10 DGCDMM CCO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001648606544 1195313202 /nfs/dbraw/zinc/31/32/02/1195313202.db2.gz SCROJXFURBTVQD-MRXNPFEDSA-N -1 1 319.788 3.440 20 10 DGCDMM C[C@H]1Cc2cc(C(=O)NCc3cccc(Cl)c3[O-])ccc2O1 ZINC001648609161 1195313314 /nfs/dbraw/zinc/31/33/14/1195313314.db2.gz SEQOGKHCEOHRBI-JTQLQIEISA-N -1 1 317.772 3.299 20 10 DGCDMM NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1F ZINC001651489755 1195470042 /nfs/dbraw/zinc/47/00/42/1195470042.db2.gz FYSYKDJXMQCLGK-UHFFFAOYSA-N -1 1 312.703 3.035 20 10 DGCDMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654717214 1195832590 /nfs/dbraw/zinc/83/25/90/1195832590.db2.gz WVZRXGCNIAEQGX-GFCCVEGCSA-N -1 1 321.323 3.127 20 10 DGCDMM Cc1cccc2c1CCC[C@H]2NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654747701 1195834945 /nfs/dbraw/zinc/83/49/45/1195834945.db2.gz RCVHIZYNEFVUPT-CQSZACIVSA-N -1 1 315.344 3.353 20 10 DGCDMM COC(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001656205220 1196017367 /nfs/dbraw/zinc/01/73/67/1196017367.db2.gz OPHKNHMHRGBWMQ-UHFFFAOYSA-N -1 1 322.311 3.485 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCOc2cc(F)ccc2C1 ZINC001658660434 1196285136 /nfs/dbraw/zinc/28/51/36/1196285136.db2.gz JMRNXSIZQRVJON-UHFFFAOYSA-N -1 1 309.287 3.204 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H](c2ccccc2F)C1 ZINC001658973086 1196327180 /nfs/dbraw/zinc/32/71/80/1196327180.db2.gz ZMGSQRSYIWSPTI-KRWDZBQOSA-N -1 1 323.314 3.383 20 10 DGCDMM CCOc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001663402618 1196858030 /nfs/dbraw/zinc/85/80/30/1196858030.db2.gz ISWALGBCMFPXNY-UHFFFAOYSA-N -1 1 321.764 3.161 20 10 DGCDMM Cc1noc([C@@H]2CCCCN2Cc2cc(F)c(F)cc2[O-])n1 ZINC001664664792 1197029946 /nfs/dbraw/zinc/02/99/46/1197029946.db2.gz ZNANIOQDZHVUEK-ZDUSSCGKSA-N -1 1 309.316 3.089 20 10 DGCDMM CN(C)c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001667099245 1197317808 /nfs/dbraw/zinc/31/78/08/1197317808.db2.gz QKOMWBSAAZWJMP-UHFFFAOYSA-N -1 1 319.792 3.433 20 10 DGCDMM O=C(NCc1ccc(F)cc1)NCc1cccc(Cl)c1[O-] ZINC001674268801 1197754842 /nfs/dbraw/zinc/75/48/42/1197754842.db2.gz WBLARPSSEAEUKA-UHFFFAOYSA-N -1 1 308.740 3.184 20 10 DGCDMM O=C([O-])c1cccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC001602448678 971202693 /nfs/dbraw/zinc/20/26/93/971202693.db2.gz JMJTWKALUJMEFW-UHFFFAOYSA-N -1 1 313.140 3.404 20 10 DGCDMM Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001594327276 958185048 /nfs/dbraw/zinc/18/50/48/958185048.db2.gz VQXRLPHBMAXIIE-GFCCVEGCSA-N -1 1 311.809 3.431 20 10 DGCDMM Cc1cc([O-])c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001594327276 958185050 /nfs/dbraw/zinc/18/50/50/958185050.db2.gz VQXRLPHBMAXIIE-GFCCVEGCSA-N -1 1 311.809 3.431 20 10 DGCDMM CN(Cc1c(O)ccc(Cl)c1F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598505050 992491951 /nfs/dbraw/zinc/49/19/51/992491951.db2.gz FTXGPITVTGYOCQ-HNNXBMFYSA-N -1 1 323.751 3.442 20 10 DGCDMM O=C(CNc1ccc(F)c2cnccc12)c1ccc([O-])c(O)c1 ZINC001170315386 1082345139 /nfs/dbraw/zinc/34/51/39/1082345139.db2.gz WTYZZHHCUROSDX-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM Cc1cnc(NCC(=O)c2ccc([O-])c(O)c2)c2ccccc12 ZINC001170316813 1082345286 /nfs/dbraw/zinc/34/52/86/1082345286.db2.gz PNQVEYSHVCAGHU-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1Cc2ccc(Cl)cc2C1 ZINC001183671331 1083995568 /nfs/dbraw/zinc/99/55/68/1083995568.db2.gz YGDMWMUHDLLVHX-UHFFFAOYSA-N -1 1 307.708 3.046 20 10 DGCDMM O=C(c1c([O-])ccc2ccccc21)N1CCc2cccc(O)c2C1 ZINC001153505474 1088267809 /nfs/dbraw/zinc/26/78/09/1088267809.db2.gz MEEIEKXSONCCDV-UHFFFAOYSA-N -1 1 319.360 3.450 20 10 DGCDMM COc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1C ZINC001649026238 1088429489 /nfs/dbraw/zinc/42/94/89/1088429489.db2.gz UVEAGRDDBSTTAR-JTQLQIEISA-N -1 1 319.332 3.045 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@]2(CCO2)C1 ZINC001203582247 1090761772 /nfs/dbraw/zinc/76/17/72/1090761772.db2.gz ZJRFXVJMTGMXLO-CQSZACIVSA-N -1 1 302.201 3.454 20 10 DGCDMM Cc1cnc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)s1 ZINC001140467240 1091878701 /nfs/dbraw/zinc/87/87/01/1091878701.db2.gz REZSSQKLEYVUNM-UHFFFAOYSA-N -1 1 323.849 3.133 20 10 DGCDMM C[N@@H+](Cc1ccccc1O)Cc1cccc(O)c1Br ZINC001140553035 1091908018 /nfs/dbraw/zinc/90/80/18/1091908018.db2.gz QLIAZSWNHJIEGF-UHFFFAOYSA-N -1 1 322.202 3.492 20 10 DGCDMM CC(=O)c1ccc(F)c(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145897 1093927196 /nfs/dbraw/zinc/92/71/96/1093927196.db2.gz PYARLBATSQLZDF-UHFFFAOYSA-N -1 1 314.272 3.157 20 10 DGCDMM Cc1cc(C)c(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cn1 ZINC001216953131 1094283330 /nfs/dbraw/zinc/28/33/30/1094283330.db2.gz BWUKISRZBGOOHU-UHFFFAOYSA-N -1 1 317.732 3.480 20 10 DGCDMM C[C@@H](CC(F)(F)F)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001121916113 1094824897 /nfs/dbraw/zinc/82/48/97/1094824897.db2.gz PXWAOIASEOYIMM-ZETCQYMHSA-N -1 1 310.703 3.186 20 10 DGCDMM Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001222546422 1095661870 /nfs/dbraw/zinc/66/18/70/1095661870.db2.gz KXYSESBBGUBEBO-UHFFFAOYSA-N -1 1 310.806 3.415 20 10 DGCDMM Cc1c([O-])cc2c(c1OC1CCC1)C(=O)c1ccccc1C2=O ZINC001229829225 1097394844 /nfs/dbraw/zinc/39/48/44/1097394844.db2.gz OUGKOEGATNJFFS-UHFFFAOYSA-N -1 1 308.333 3.407 20 10 DGCDMM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001231451840 1097751725 /nfs/dbraw/zinc/75/17/25/1097751725.db2.gz WPESBVQNUGIIPW-MRXNPFEDSA-N -1 1 311.381 3.470 20 10 DGCDMM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001231451840 1097751727 /nfs/dbraw/zinc/75/17/27/1097751727.db2.gz WPESBVQNUGIIPW-MRXNPFEDSA-N -1 1 311.381 3.470 20 10 DGCDMM COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454948 1097752908 /nfs/dbraw/zinc/75/29/08/1097752908.db2.gz LBNOPEXCWFYFBV-GFCCVEGCSA-N -1 1 315.369 3.292 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001231565763 1097780060 /nfs/dbraw/zinc/78/00/60/1097780060.db2.gz JMPSSWQJRFUEAG-UHFFFAOYSA-N -1 1 307.365 3.195 20 10 DGCDMM [O-]c1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001232789262 1098136857 /nfs/dbraw/zinc/13/68/57/1098136857.db2.gz ZQFWIGHWRCGLHI-UHFFFAOYSA-N -1 1 319.788 3.405 20 10 DGCDMM C[C@]1(CF)CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029137 1098207180 /nfs/dbraw/zinc/20/71/80/1098207180.db2.gz ZOEFUXGWDRKVMV-CYBMUJFWSA-N -1 1 320.177 3.475 20 10 DGCDMM [O-]c1c(CN2CCOC[C@@H]2C2CCCCC2)ccc(F)c1F ZINC001233078894 1098220542 /nfs/dbraw/zinc/22/05/42/1098220542.db2.gz NHAGSWRRPHUENU-OAHLLOKOSA-N -1 1 311.372 3.452 20 10 DGCDMM Cc1nc([C@H]2CCCCN2Cc2c([O-])ccc(F)c2F)no1 ZINC001233334337 1098292291 /nfs/dbraw/zinc/29/22/91/1098292291.db2.gz CCJPHEIRYPCXEF-GFCCVEGCSA-N -1 1 309.316 3.089 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@H](c2ccccc2)C1 ZINC001233334570 1098292550 /nfs/dbraw/zinc/29/25/50/1098292550.db2.gz MECFWDUOFHSWCK-INIZCTEOSA-N -1 1 305.324 3.244 20 10 DGCDMM CC(C)[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001233419256 1098324417 /nfs/dbraw/zinc/32/44/17/1098324417.db2.gz PZTXDJDSVKTLLN-CYBMUJFWSA-N -1 1 303.324 3.268 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cncnc1 ZINC001233497118 1098351320 /nfs/dbraw/zinc/35/13/20/1098351320.db2.gz NCZLUKRTOPJAEC-SNVBAGLBSA-N -1 1 302.330 3.011 20 10 DGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOC(C)(C)C1 ZINC001233496374 1098351521 /nfs/dbraw/zinc/35/15/21/1098351521.db2.gz FUFLFRIMUNRKJC-LLVKDONJSA-N -1 1 308.374 3.417 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H](C)OCc1ccccc1 ZINC001234476068 1098564164 /nfs/dbraw/zinc/56/41/64/1098564164.db2.gz KHRNTYXGZXSPHT-GFCCVEGCSA-N -1 1 316.353 3.285 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1OCc1cccnc1OC(C)C ZINC001234476058 1098564440 /nfs/dbraw/zinc/56/44/40/1098564440.db2.gz KFKFFKPTENHYOL-UHFFFAOYSA-N -1 1 317.341 3.062 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C(=O)OC(C)(C)C)C(C)C ZINC001234475677 1098565217 /nfs/dbraw/zinc/56/52/17/1098565217.db2.gz IIVBRGMHXAMKGM-HNNXBMFYSA-N -1 1 324.373 3.046 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)COc1ccccc1C ZINC001234477368 1098565935 /nfs/dbraw/zinc/56/59/35/1098565935.db2.gz SEVULQMXBCSEAC-GFCCVEGCSA-N -1 1 316.353 3.455 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C(C)=O)c1ccccc1 ZINC001234476892 1098566257 /nfs/dbraw/zinc/56/62/57/1098566257.db2.gz PMJLIWDBYBTNSC-QGZVFWFLSA-N -1 1 300.310 3.010 20 10 DGCDMM [O-]c1c(F)cc(Br)cc1CN1CC2(CCC2)C1 ZINC001235058551 1098779609 /nfs/dbraw/zinc/77/96/09/1098779609.db2.gz NWZCPBAWHCSFNK-UHFFFAOYSA-N -1 1 300.171 3.280 20 10 DGCDMM O=C(NC1CC1)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001178359331 1098808897 /nfs/dbraw/zinc/80/88/97/1098808897.db2.gz AJWHUMMOKZUXMJ-UHFFFAOYSA-N -1 1 318.323 3.175 20 10 DGCDMM O=C1CSc2cc(NCc3cc(F)cc(F)c3[O-])ccc2N1 ZINC001179407106 1099096531 /nfs/dbraw/zinc/09/65/31/1099096531.db2.gz WBIGQQNILUETDL-UHFFFAOYSA-N -1 1 322.336 3.327 20 10 DGCDMM CCCOC1CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236666684 1099732710 /nfs/dbraw/zinc/73/27/10/1099732710.db2.gz UEORGCJEPILSSB-UHFFFAOYSA-N -1 1 314.223 3.074 20 10 DGCDMM COc1ccc(CN2CCc3c(O)cccc3C2)c([O-])c1Cl ZINC001236804469 1099797433 /nfs/dbraw/zinc/79/74/33/1099797433.db2.gz ZVLKXBKQCPCRPB-UHFFFAOYSA-N -1 1 319.788 3.318 20 10 DGCDMM [O-]c1ccc(F)c(Cl)c1CN1CCOC[C@H]1c1cccnc1 ZINC001237130506 1099986262 /nfs/dbraw/zinc/98/62/62/1099986262.db2.gz NCPVNBJLHVVMQO-AWEZNQCLSA-N -1 1 322.767 3.153 20 10 DGCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190505615 1100282147 /nfs/dbraw/zinc/28/21/47/1100282147.db2.gz FXVDEAAWCRPHDI-UHFFFAOYSA-N -1 1 316.426 3.431 20 10 DGCDMM CCCCN(CC(=O)OCC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237941626 1100298885 /nfs/dbraw/zinc/29/88/85/1100298885.db2.gz ZOYZNWKYPGMMCS-UHFFFAOYSA-N -1 1 317.788 3.350 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOC[C@H]1c1cccnc1 ZINC001237941177 1100299357 /nfs/dbraw/zinc/29/93/57/1100299357.db2.gz QZPGEAHCMFMPBS-HNNXBMFYSA-N -1 1 322.767 3.153 20 10 DGCDMM Cc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)c2n[nH]cc21 ZINC001193231919 1100719645 /nfs/dbraw/zinc/71/96/45/1100719645.db2.gz BDTYJWQPOFIKSZ-UHFFFAOYSA-N -1 1 317.732 3.188 20 10 DGCDMM Cc1cccc(C2(NC(=O)c3ccc(O)c([O-])c3Cl)CC2)c1 ZINC001193247277 1100720666 /nfs/dbraw/zinc/72/06/66/1100720666.db2.gz RPKQBCDMRQBSIK-UHFFFAOYSA-N -1 1 317.772 3.479 20 10 DGCDMM Cc1cccc(C)c1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001194642411 1100980146 /nfs/dbraw/zinc/98/01/46/1100980146.db2.gz DZKZPVLMYRYZQK-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM CC(C)(C)c1cc(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1Cl ZINC001248884181 1105186527 /nfs/dbraw/zinc/18/65/27/1105186527.db2.gz YWAKFHPABAXMKC-AWEZNQCLSA-N -1 1 324.852 3.183 20 10 DGCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC001251496579 1105664085 /nfs/dbraw/zinc/66/40/85/1105664085.db2.gz JKHMGBQTPWIVBX-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)cc1F ZINC001259480417 1107147332 /nfs/dbraw/zinc/14/73/32/1107147332.db2.gz DWTLLEJHXNPKEZ-UHFFFAOYSA-N -1 1 308.378 3.001 20 10 DGCDMM COc1csc(C(=O)[N-]c2c3nonc3ccc2Cl)c1 ZINC001261140288 1107351144 /nfs/dbraw/zinc/35/11/44/1107351144.db2.gz NNYPGEWJYBBWRA-UHFFFAOYSA-N -1 1 309.734 3.199 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001262350493 1107683145 /nfs/dbraw/zinc/68/31/45/1107683145.db2.gz VJPSSVLWSGCEIZ-DVVUODLYSA-N -1 1 315.747 3.343 20 10 DGCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1cccc2ccccc21 ZINC000389560172 1108656284 /nfs/dbraw/zinc/65/62/84/1108656284.db2.gz BFYVBPRGUFGWMC-UHFFFAOYSA-N -1 1 317.341 3.485 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc2c1CCC2 ZINC001305069538 1111192803 /nfs/dbraw/zinc/19/28/03/1111192803.db2.gz JAMRTJNFYZCVHK-UHFFFAOYSA-N -1 1 301.773 3.464 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1scnc1Cl ZINC001305069854 1111192983 /nfs/dbraw/zinc/19/29/83/1111192983.db2.gz RVZQLIXPYXZXLQ-UHFFFAOYSA-N -1 1 303.170 3.086 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccccc1-n1nccn1 ZINC001308941742 1111497165 /nfs/dbraw/zinc/49/71/65/1111497165.db2.gz AEXMNOLMNMJILE-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM C[C@@H](NCc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273520630 130132224 /nfs/dbraw/zinc/13/22/24/130132224.db2.gz UGOVYPGMDUVHMY-SECBINFHSA-N -1 1 319.386 3.485 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nccs2)c1[O-] ZINC000177363416 278244039 /nfs/dbraw/zinc/24/40/39/278244039.db2.gz UCOKRYBURHYUTK-UHFFFAOYSA-N -1 1 310.806 3.337 20 10 DGCDMM CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](C)c2nccs2)c1[O-] ZINC000184001426 432344335 /nfs/dbraw/zinc/34/43/35/432344335.db2.gz QHHAIGHLRCBVDC-JTQLQIEISA-N -1 1 322.405 3.426 20 10 DGCDMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000276636175 432822891 /nfs/dbraw/zinc/82/28/91/432822891.db2.gz WZQMPKNMNKRXNC-YPMHNXCESA-N -1 1 315.344 3.255 20 10 DGCDMM O=C([O-])c1coc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000277007784 432827896 /nfs/dbraw/zinc/82/78/96/432827896.db2.gz MJIMGJIEIVWLLL-UHFFFAOYSA-N -1 1 314.385 3.258 20 10 DGCDMM CCN(CC)c1ccc(CNCc2cc(C(=O)[O-])co2)cc1F ZINC000277104909 432830370 /nfs/dbraw/zinc/83/03/70/432830370.db2.gz ZMAINNVITJKEKH-UHFFFAOYSA-N -1 1 320.364 3.253 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC000277585503 432862163 /nfs/dbraw/zinc/86/21/63/432862163.db2.gz RVZVRZYSGACAGZ-UHFFFAOYSA-N -1 1 312.207 3.351 20 10 DGCDMM C[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793774 432901539 /nfs/dbraw/zinc/90/15/39/432901539.db2.gz QNPZHNXNXJXAGZ-SFYZADRCSA-N -1 1 315.204 3.239 20 10 DGCDMM COc1ccc(O)c(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000734015680 574648015 /nfs/dbraw/zinc/64/80/15/574648015.db2.gz WBGZXMWNXSNNHL-UHFFFAOYSA-N -1 1 323.348 3.190 20 10 DGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2C3CCC2CC3)c1[O-] ZINC000728195919 576167809 /nfs/dbraw/zinc/16/78/09/576167809.db2.gz UHGTYJBUKNTPJZ-UHFFFAOYSA-N -1 1 323.392 3.456 20 10 DGCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086748389 604643265 /nfs/dbraw/zinc/64/32/65/604643265.db2.gz VRBPLUCEVNHDIU-UHFFFAOYSA-N -1 1 306.189 3.384 20 10 DGCDMM Cc1cc(C)n([C@@H](C)CC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890757768 617656044 /nfs/dbraw/zinc/65/60/44/617656044.db2.gz LBYIFFYPIRUPOK-LBPRGKRZSA-N -1 1 321.808 3.126 20 10 DGCDMM C[C@H]1C(=O)CC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC000890760049 617656501 /nfs/dbraw/zinc/65/65/01/617656501.db2.gz ZJXDDPGJXDHBSQ-JQWIXIFHSA-N -1 1 323.820 3.303 20 10 DGCDMM CC[C@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759726 617656529 /nfs/dbraw/zinc/65/65/29/617656529.db2.gz PHEUGXHCZYJTPI-YPMHNXCESA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC12CCSCC2 ZINC000890760862 617656941 /nfs/dbraw/zinc/65/69/41/617656941.db2.gz BOHBTRLDCHQJDG-NSHDSACASA-N -1 1 311.834 3.195 20 10 DGCDMM C[C@H]1CCC[C@H](OCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890760551 617657055 /nfs/dbraw/zinc/65/70/55/617657055.db2.gz SXMJHTNPLMYZPH-AAEUAGOBSA-N -1 1 311.809 3.257 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CC1(Cl)Cl ZINC000891565587 617836992 /nfs/dbraw/zinc/83/69/92/617836992.db2.gz JPGYUEJBYOXJAZ-MRVPVSSYSA-N -1 1 323.607 3.039 20 10 DGCDMM CS[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893288575 618498220 /nfs/dbraw/zinc/49/82/20/618498220.db2.gz AQTJSCJOSRUEMM-GHMZBOCLSA-N -1 1 314.838 3.129 20 10 DGCDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccn1 ZINC000895636713 618810672 /nfs/dbraw/zinc/81/06/72/618810672.db2.gz YRTRLJYIXBUAHB-NSHDSACASA-N -1 1 319.792 3.044 20 10 DGCDMM CC1(C)[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1(F)F ZINC000895839345 618836910 /nfs/dbraw/zinc/83/69/10/618836910.db2.gz NWJXXPNHXKSRFZ-SNVBAGLBSA-N -1 1 318.751 3.136 20 10 DGCDMM CCC[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])OCC ZINC000895953627 618854831 /nfs/dbraw/zinc/85/48/31/618854831.db2.gz ZRGCFRFDSPQDNO-GFCCVEGCSA-N -1 1 314.813 3.050 20 10 DGCDMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCS1 ZINC000896706559 618946672 /nfs/dbraw/zinc/94/66/72/618946672.db2.gz VDSBEXCLHRFPBY-MWLCHTKSSA-N -1 1 314.838 3.129 20 10 DGCDMM Oc1cc(F)c(Cl)cc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897036810 619004946 /nfs/dbraw/zinc/00/49/46/619004946.db2.gz MRMFUTPVSWWTRC-UHFFFAOYSA-N -1 1 313.800 3.312 20 10 DGCDMM Cc1csc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756537103 621646097 /nfs/dbraw/zinc/64/60/97/621646097.db2.gz VWKCQFGJZKYOAV-NXEZZACHSA-N -1 1 307.375 3.477 20 10 DGCDMM C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)cc(F)c1[O-] ZINC000756857981 621669085 /nfs/dbraw/zinc/66/90/85/621669085.db2.gz ZKROGFFUKZGMPY-MRVPVSSYSA-N -1 1 320.295 3.288 20 10 DGCDMM CCC(F)(F)C(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000863939516 621719888 /nfs/dbraw/zinc/71/98/88/621719888.db2.gz BKCYPGMJNHPXPE-UHFFFAOYSA-N -1 1 305.296 3.038 20 10 DGCDMM CC(=O)NCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757605187 621727880 /nfs/dbraw/zinc/72/78/80/621727880.db2.gz UNIMBVRGWJJAOT-JTQLQIEISA-N -1 1 320.339 3.480 20 10 DGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc2ccccc2s1 ZINC000758433281 621781761 /nfs/dbraw/zinc/78/17/61/621781761.db2.gz GXROUZDWTSUCOI-RVDMUPIBSA-N -1 1 320.373 3.363 20 10 DGCDMM CC(C)(C)c1c[nH]c(SCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000865380662 621906564 /nfs/dbraw/zinc/90/65/64/621906564.db2.gz BEKGPNUCGYLTSS-UHFFFAOYSA-N -1 1 306.387 3.093 20 10 DGCDMM CC[C@]1(C)COCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000761110444 621987557 /nfs/dbraw/zinc/98/75/57/621987557.db2.gz OZPAZIOFXGIHRB-MRXNPFEDSA-N -1 1 311.809 3.249 20 10 DGCDMM Cc1cc(NCc2cccc(Br)c2[O-])nnc1C ZINC000762651142 622089587 /nfs/dbraw/zinc/08/95/87/622089587.db2.gz HLGOUOHGQDYVAB-UHFFFAOYSA-N -1 1 308.179 3.174 20 10 DGCDMM C[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765770967 622286506 /nfs/dbraw/zinc/28/65/06/622286506.db2.gz UGFRFIIDNWRBIY-ZJUUUORDSA-N -1 1 312.207 3.207 20 10 DGCDMM CN(Cc1ccc(Cl)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000789939930 625585422 /nfs/dbraw/zinc/58/54/22/625585422.db2.gz SBQKIXDYMZYTBN-UHFFFAOYSA-N -1 1 309.724 3.163 20 10 DGCDMM Cc1ccc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC000789975732 625589977 /nfs/dbraw/zinc/58/99/77/625589977.db2.gz CGPKFASVACPWSH-LBPRGKRZSA-N -1 1 317.360 3.215 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCc2ccccc2[C@@H]1CO ZINC000775700246 623316199 /nfs/dbraw/zinc/31/61/99/623316199.db2.gz JMFYTCMDMPPKIV-INIZCTEOSA-N -1 1 321.779 3.276 20 10 DGCDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776744877 623459150 /nfs/dbraw/zinc/45/91/50/623459150.db2.gz QAUHSFOETVREHA-UHFFFAOYSA-N -1 1 314.366 3.050 20 10 DGCDMM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(F)c1[O-] ZINC000778525204 623663752 /nfs/dbraw/zinc/66/37/52/623663752.db2.gz JZTNCVBPUYWDDR-INIZCTEOSA-N -1 1 320.408 3.465 20 10 DGCDMM CN(Cc1cc(Cl)cn1C)Cc1ccc(F)c(F)c1[O-] ZINC000876806869 623710824 /nfs/dbraw/zinc/71/08/24/623710824.db2.gz VXAZMBQJCWKYDI-UHFFFAOYSA-N -1 1 300.736 3.294 20 10 DGCDMM O=C1N[C@@H](c2cc(Cl)c(F)cc2[O-])Nc2cc(F)ccc21 ZINC000877849224 624068302 /nfs/dbraw/zinc/06/83/02/624068302.db2.gz SAPUFVVBGINOGS-ZDUSSCGKSA-N -1 1 310.687 3.178 20 10 DGCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000786972598 624969360 /nfs/dbraw/zinc/96/93/60/624969360.db2.gz DYYCYCPOUUJKSE-ZANVPECISA-N -1 1 319.323 3.416 20 10 DGCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)c1 ZINC000882798839 625819608 /nfs/dbraw/zinc/81/96/08/625819608.db2.gz GBAZFCIHUWJYDM-UHFFFAOYSA-N -1 1 321.398 3.325 20 10 DGCDMM COC(=O)c1cnc([C@H](C)N[C@H](C)c2c([O-])cccc2F)s1 ZINC000886629537 627176601 /nfs/dbraw/zinc/17/66/01/627176601.db2.gz HRWDXTVXBZMKQD-BDAKNGLRSA-N -1 1 324.377 3.186 20 10 DGCDMM CC(C)Oc1ccc(NCc2c([O-])ccc(Cl)c2F)nn1 ZINC000811839792 627328459 /nfs/dbraw/zinc/32/84/59/627328459.db2.gz QMQVLEBOSWGQLU-UHFFFAOYSA-N -1 1 311.744 3.374 20 10 DGCDMM CNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816598078 627813178 /nfs/dbraw/zinc/81/31/78/627813178.db2.gz OWJALUCWTVICQF-UHFFFAOYSA-N -1 1 308.740 3.156 20 10 DGCDMM Cc1ccc(C)n1-c1ccsc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820403768 628253620 /nfs/dbraw/zinc/25/36/20/628253620.db2.gz YXKAHVLJFBUKQV-UHFFFAOYSA-N -1 1 316.386 3.145 20 10 DGCDMM COc1c([O-])c(CNCC(F)(F)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000827722561 628985411 /nfs/dbraw/zinc/98/54/11/628985411.db2.gz MYTBGYRUXTUCAK-UHFFFAOYSA-N -1 1 318.320 3.080 20 10 DGCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCC1 ZINC000837581511 630279153 /nfs/dbraw/zinc/27/91/53/630279153.db2.gz JOISUOSPVOCATD-SECBINFHSA-N -1 1 312.207 3.207 20 10 DGCDMM CCCN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000840824433 630362801 /nfs/dbraw/zinc/36/28/01/630362801.db2.gz MDFYACDFLJSJKJ-INIZCTEOSA-N -1 1 304.777 3.039 20 10 DGCDMM O=C(COC(=O)C1CCC(C2CC2)CC1)c1ccc([O-])c(O)c1 ZINC000850310158 632110486 /nfs/dbraw/zinc/11/04/86/632110486.db2.gz PXLWDWJSXPPLFI-UHFFFAOYSA-N -1 1 318.369 3.040 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@](C)(C3CC3)C2)c1[O-] ZINC000852322405 632586068 /nfs/dbraw/zinc/58/60/68/632586068.db2.gz IULQPQGIYCHOIY-QGZVFWFLSA-N -1 1 323.820 3.249 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnc(C2CC2)nc1 ZINC000930201452 661377227 /nfs/dbraw/zinc/37/72/27/661377227.db2.gz DVHNKBXVGIOFGO-UHFFFAOYSA-N -1 1 318.764 3.035 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnn1C1CCC1 ZINC000934730419 661731052 /nfs/dbraw/zinc/73/10/52/661731052.db2.gz RFOPWLBYLLTDGE-UHFFFAOYSA-N -1 1 320.780 3.289 20 10 DGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000189424477 661978115 /nfs/dbraw/zinc/97/81/15/661978115.db2.gz XJYXHQXYHNTNGG-UHFFFAOYSA-N -1 1 309.362 3.203 20 10 DGCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1CO ZINC001620850810 1192454665 /nfs/dbraw/zinc/45/46/65/1192454665.db2.gz NUPJRGJGNWWFQD-UHFFFAOYSA-N -1 1 311.740 3.298 20 10 DGCDMM Cc1cc([O-])c(C[NH2+]CC2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC001600286844 1192827510 /nfs/dbraw/zinc/82/75/10/1192827510.db2.gz XJHFUKFSAYLRKR-UHFFFAOYSA-N -1 1 311.809 3.479 20 10 DGCDMM C[N@H+](CCCF)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC001332185689 1178384916 /nfs/dbraw/zinc/38/49/16/1178384916.db2.gz BZEFEKSINMLESY-UHFFFAOYSA-N -1 1 317.360 3.120 20 10 DGCDMM C[N@@H+](CCCF)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC001332185689 1178384926 /nfs/dbraw/zinc/38/49/26/1178384926.db2.gz BZEFEKSINMLESY-UHFFFAOYSA-N -1 1 317.360 3.120 20 10 DGCDMM C[C@H](OC1CCCCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001333625852 1178640987 /nfs/dbraw/zinc/64/09/87/1178640987.db2.gz OHAUDKVKUNXJLE-NSHDSACASA-N -1 1 311.809 3.400 20 10 DGCDMM Cc1oc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1C(=O)[O-] ZINC001350598781 1180091411 /nfs/dbraw/zinc/09/14/11/1180091411.db2.gz CMNKDZSTPJEZCO-UHFFFAOYSA-N -1 1 320.364 3.123 20 10 DGCDMM C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cc(C(=O)[O-])ccc1O ZINC001604322983 1193064307 /nfs/dbraw/zinc/06/43/07/1193064307.db2.gz STGCDZMNSBTXAE-IUCAKERBSA-N -1 1 322.311 3.175 20 10 DGCDMM CC(C)Oc1cccc(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001457036386 1182440673 /nfs/dbraw/zinc/44/06/73/1182440673.db2.gz MMHMCDPWBLMBAM-UHFFFAOYSA-N -1 1 320.776 3.158 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(C(F)F)nc1 ZINC001457038687 1182441109 /nfs/dbraw/zinc/44/11/09/1182441109.db2.gz ZAPMUZGOYGJZPV-UHFFFAOYSA-N -1 1 312.703 3.308 20 10 DGCDMM Cc1ccncc1/C=C\C(=O)NCc1cccc(Cl)c1[O-] ZINC001606860747 1193206350 /nfs/dbraw/zinc/20/63/50/1193206350.db2.gz RIGCTKCZSZOPHF-WAYWQWQTSA-N -1 1 302.761 3.079 20 10 DGCDMM Cc1cc(CNCc2c(O)cc(C)cc2Cl)oc1C(=O)[O-] ZINC001607700161 1193249426 /nfs/dbraw/zinc/24/94/26/1193249426.db2.gz VBYMZDOTXGDBLC-UHFFFAOYSA-N -1 1 309.749 3.243 20 10 DGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1C1CC1 ZINC001608809182 1193305038 /nfs/dbraw/zinc/30/50/38/1193305038.db2.gz NINLTPFLWXNXQT-DLBZAZTESA-N -1 1 311.381 3.088 20 10 DGCDMM O=C([O-])[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C1CC1 ZINC001608809182 1193305039 /nfs/dbraw/zinc/30/50/39/1193305039.db2.gz NINLTPFLWXNXQT-DLBZAZTESA-N -1 1 311.381 3.088 20 10 DGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C1CC1 ZINC001608809182 1193305041 /nfs/dbraw/zinc/30/50/41/1193305041.db2.gz NINLTPFLWXNXQT-DLBZAZTESA-N -1 1 311.381 3.088 20 10 DGCDMM COC[C@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(C)o1 ZINC001610249625 1193380025 /nfs/dbraw/zinc/38/00/25/1193380025.db2.gz RJVCKQFVZWPTCT-FZMZJTMJSA-N -1 1 319.357 3.030 20 10 DGCDMM Cc1cc(Cl)nc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001558757597 1189146419 /nfs/dbraw/zinc/14/64/19/1189146419.db2.gz LCCRBJLTGVBKGN-UHFFFAOYSA-N -1 1 311.168 3.332 20 10 DGCDMM Cn1ccc2c1cccc2C(=O)NCc1cccc(Cl)c1[O-] ZINC001558757213 1189146548 /nfs/dbraw/zinc/14/65/48/1189146548.db2.gz UXRKBCNQRXCHKX-UHFFFAOYSA-N -1 1 314.772 3.467 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2[nH]ccc2c1 ZINC001558756948 1189146585 /nfs/dbraw/zinc/14/65/85/1189146585.db2.gz IVRPMSVVWPDGBM-UHFFFAOYSA-N -1 1 300.745 3.457 20 10 DGCDMM O=C(Nc1cccc([O-])c1Br)C1=CC(=O)CS1 ZINC001636029992 1194588446 /nfs/dbraw/zinc/58/84/46/1194588446.db2.gz MMTKSIRCEBGQQF-UHFFFAOYSA-N -1 1 314.160 3.174 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(F)c(F)c1F ZINC001637227137 1194657831 /nfs/dbraw/zinc/65/78/31/1194657831.db2.gz OZEIZUYJUJVXBV-UHFFFAOYSA-N -1 1 315.678 3.393 20 10 DGCDMM CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001637227319 1194658047 /nfs/dbraw/zinc/65/80/47/1194658047.db2.gz WTDMPNWYAOTLAS-UHFFFAOYSA-N -1 1 322.767 3.181 20 10 DGCDMM Cc1ccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001638303951 1194711581 /nfs/dbraw/zinc/71/15/81/1194711581.db2.gz HRQNZJLZVVNDIT-UHFFFAOYSA-N -1 1 317.360 3.253 20 10 DGCDMM O=C(NCc1cccc2ccccc21)c1c([O-])c(O)ccc1F ZINC001650789303 1195382868 /nfs/dbraw/zinc/38/28/68/1195382868.db2.gz SLRBVIMGIHRTMS-UHFFFAOYSA-N -1 1 311.312 3.320 20 10 DGCDMM CCn1c2ccccc2nc1CNCc1ccc(F)c(F)c1[O-] ZINC001652146468 1195553211 /nfs/dbraw/zinc/55/32/11/1195553211.db2.gz NRSKTQUVFPMGKV-UHFFFAOYSA-N -1 1 317.339 3.330 20 10 DGCDMM O=C(CCNc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001653563867 1195734329 /nfs/dbraw/zinc/73/43/29/1195734329.db2.gz QLATYMIVHVUNQX-UHFFFAOYSA-N -1 1 304.777 3.164 20 10 DGCDMM Cc1ccc([C@H]2COCCN2Cc2cc(F)c(F)cc2[O-])o1 ZINC001658895128 1196316036 /nfs/dbraw/zinc/31/60/36/1196316036.db2.gz NGUWOUAHPZUDMP-CQSZACIVSA-N -1 1 309.312 3.145 20 10 DGCDMM COc1nc(C)cc(C)c1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC001665341398 1197125112 /nfs/dbraw/zinc/12/51/12/1197125112.db2.gz ZXGWKOGIIKSDOZ-UHFFFAOYSA-N -1 1 322.355 3.323 20 10 DGCDMM Cc1ccc(CCNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001684498701 1199389368 /nfs/dbraw/zinc/38/93/68/1199389368.db2.gz BSIKXTNJBJSJAU-UHFFFAOYSA-N -1 1 318.804 3.396 20 10 DGCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C)cc1O ZINC000235888368 1202605105 /nfs/dbraw/zinc/60/51/05/1202605105.db2.gz KUYMAPPLPDIFOU-UHFFFAOYSA-N -1 1 309.362 3.257 20 10 DGCDMM CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086778476 957988071 /nfs/dbraw/zinc/98/80/71/957988071.db2.gz HSMXREUZTSZCDJ-UHFFFAOYSA-N -1 1 306.189 3.242 20 10 DGCDMM C[C@@H](NCc1ccc(Cl)cc1O)c1ncc(C(=O)[O-])s1 ZINC001593300067 994728002 /nfs/dbraw/zinc/72/80/02/994728002.db2.gz ZOKWXCYTRKHSBO-SSDOTTSWSA-N -1 1 312.778 3.051 20 10 DGCDMM C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ncc(C(=O)[O-])s1 ZINC001593300067 994728012 /nfs/dbraw/zinc/72/80/12/994728012.db2.gz ZOKWXCYTRKHSBO-SSDOTTSWSA-N -1 1 312.778 3.051 20 10 DGCDMM CC(C)Oc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315330 1082345209 /nfs/dbraw/zinc/34/52/09/1082345209.db2.gz VANQCVSIRMRRPU-UHFFFAOYSA-N -1 1 301.342 3.180 20 10 DGCDMM O=C(CNc1ccccc1-c1cnco1)c1ccc([O-])c(O)c1 ZINC001170314933 1082345308 /nfs/dbraw/zinc/34/53/08/1082345308.db2.gz LQYQQZITTRAUKL-UHFFFAOYSA-N -1 1 310.309 3.048 20 10 DGCDMM CSc1ccc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170317023 1082345617 /nfs/dbraw/zinc/34/56/17/1082345617.db2.gz VNBSSSYBJFGKNN-UHFFFAOYSA-N -1 1 324.789 3.163 20 10 DGCDMM C[C@H](NCc1cc(F)c(F)cc1[O-])c1nc(C(C)(C)C)no1 ZINC001181435188 1083475011 /nfs/dbraw/zinc/47/50/11/1083475011.db2.gz AHSHNTAWAMTQDE-QMMMGPOBSA-N -1 1 311.332 3.202 20 10 DGCDMM O=C(CNc1c(Cl)ccnc1Cl)c1ccc([O-])c(O)c1 ZINC001159277295 1088264338 /nfs/dbraw/zinc/26/43/38/1088264338.db2.gz TUDIQSXEGRJMFO-UHFFFAOYSA-N -1 1 313.140 3.094 20 10 DGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cc(F)ccc1F ZINC001116836678 1090694647 /nfs/dbraw/zinc/69/46/47/1090694647.db2.gz GROYESZPAGUJCF-UHFFFAOYSA-N -1 1 309.659 3.407 20 10 DGCDMM C[C@H]1CN(Cc2c([O-])cccc2F)[C@@H](c2ccccc2)CO1 ZINC001137841815 1091226082 /nfs/dbraw/zinc/22/60/82/1091226082.db2.gz WHLOMFQCIAPYMS-SUMWQHHRSA-N -1 1 301.361 3.493 20 10 DGCDMM O=C(c1ccccc1)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688026 1091643411 /nfs/dbraw/zinc/64/34/11/1091643411.db2.gz WLYZPBCSNKTWLD-ZDUSSCGKSA-N -1 1 317.335 3.375 20 10 DGCDMM [O-]c1cccc(Cl)c1CN1C[C@H](CO)CC[C@@H]1C(F)(F)F ZINC001140337850 1091833275 /nfs/dbraw/zinc/83/32/75/1091833275.db2.gz JMVDYSZRJJZFQR-NOZJJQNGSA-N -1 1 323.742 3.181 20 10 DGCDMM Cc1cccnc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216953966 1094283271 /nfs/dbraw/zinc/28/32/71/1094283271.db2.gz LLRMDXOGSYMVPD-UHFFFAOYSA-N -1 1 303.705 3.172 20 10 DGCDMM O=C1CN(Cc2c([O-])cccc2F)Cc2ccc(Cl)cc21 ZINC001137841446 1095758020 /nfs/dbraw/zinc/75/80/20/1095758020.db2.gz FFXGWBPEBAYSKK-UHFFFAOYSA-N -1 1 305.736 3.383 20 10 DGCDMM [O-]c1cccc(F)c1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001137837612 1095758283 /nfs/dbraw/zinc/75/82/83/1095758283.db2.gz NOPXLCJIRQFOSJ-UHFFFAOYSA-N -1 1 309.287 3.073 20 10 DGCDMM [O-]c1cccc(F)c1CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001137840047 1095759050 /nfs/dbraw/zinc/75/90/50/1095759050.db2.gz QBOXPWHOJFVJHO-UHFFFAOYSA-N -1 1 323.371 3.411 20 10 DGCDMM Oc1c(F)cccc1C[NH+]1CCN(c2ccc(F)c(F)c2)CC1 ZINC001138122644 1095894766 /nfs/dbraw/zinc/89/47/66/1095894766.db2.gz RRELTGOVCTWMJY-UHFFFAOYSA-N -1 1 322.330 3.132 20 10 DGCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CC=CC1 ZINC001228114647 1097053699 /nfs/dbraw/zinc/05/36/99/1097053699.db2.gz JLEQXBNVLCTBHQ-UHFFFAOYSA-N -1 1 312.321 3.132 20 10 DGCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001231565357 1097780472 /nfs/dbraw/zinc/78/04/72/1097780472.db2.gz UGDFJBQSEKYQBR-ZDUSSCGKSA-N -1 1 315.344 3.219 20 10 DGCDMM O=C([O-])c1ccc(O)c(CN2CCc3cccc(Cl)c3C2)c1 ZINC001231566034 1097780628 /nfs/dbraw/zinc/78/06/28/1097780628.db2.gz OAPYWZAGMUPZPO-UHFFFAOYSA-N -1 1 317.772 3.302 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@H](CF)C1 ZINC001233032306 1098208150 /nfs/dbraw/zinc/20/81/50/1098208150.db2.gz ZDNPWSHSGDGPKE-SECBINFHSA-N -1 1 320.177 3.475 20 10 DGCDMM C[C@H]1C(=O)CCN(Cc2c([O-])ccc(F)c2F)C12CCCC2 ZINC001233336363 1098293744 /nfs/dbraw/zinc/29/37/44/1098293744.db2.gz JJELYBJEPGHTKW-NSHDSACASA-N -1 1 309.356 3.394 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](CC(C)C)C(=O)OC(C)C ZINC001234473881 1098563945 /nfs/dbraw/zinc/56/39/45/1098563945.db2.gz LIBJKZYUQPQPSD-MRXNPFEDSA-N -1 1 324.373 3.046 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cnc2ccccn21 ZINC001234473408 1098564348 /nfs/dbraw/zinc/56/43/48/1098564348.db2.gz GIXQGWHYQWNBKG-NSHDSACASA-N -1 1 312.325 3.088 20 10 DGCDMM COc1ccc([C@@H](C)Oc2cc([O-])c(O)cc2C(C)=O)cc1 ZINC001234473345 1098564935 /nfs/dbraw/zinc/56/49/35/1098564935.db2.gz DQXWIINXYOARPI-LLVKDONJSA-N -1 1 302.326 3.449 20 10 DGCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC001180399166 1099395707 /nfs/dbraw/zinc/39/57/07/1099395707.db2.gz ASHUBLHRCMXZMU-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM CN(C)c1ccc2c(c1)OCCN2Cc1ccc([O-])c(F)c1F ZINC001180646727 1099482249 /nfs/dbraw/zinc/48/22/49/1099482249.db2.gz PJSLPWHAZHSGKG-UHFFFAOYSA-N -1 1 320.339 3.135 20 10 DGCDMM CN(Cc1cnc2ccccn12)Cc1cc(Cl)cc(F)c1[O-] ZINC001237617121 1100190479 /nfs/dbraw/zinc/19/04/79/1100190479.db2.gz KWJCUOJQUREPQY-UHFFFAOYSA-N -1 1 319.767 3.464 20 10 DGCDMM [O-]c1cc(Cl)c(F)cc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001237950176 1100301011 /nfs/dbraw/zinc/30/10/11/1100301011.db2.gz QUKHXHHUPOLNHI-SECBINFHSA-N -1 1 305.777 3.214 20 10 DGCDMM CCN(CC(=O)OC(C)(C)C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237948699 1100301122 /nfs/dbraw/zinc/30/11/22/1100301122.db2.gz GSYPGVQSVVENOI-UHFFFAOYSA-N -1 1 317.788 3.348 20 10 DGCDMM Cc1c(C)c(NC(=O)c2ccc(O)c([O-])c2Cl)ccc1O ZINC001193230582 1100722632 /nfs/dbraw/zinc/72/26/32/1100722632.db2.gz WJFAYOGJMOSKON-UHFFFAOYSA-N -1 1 307.733 3.326 20 10 DGCDMM CC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])nc1 ZINC001327869028 1103747170 /nfs/dbraw/zinc/74/71/70/1103747170.db2.gz QEKGNKBPZVUYBT-UHFFFAOYSA-N -1 1 309.728 3.150 20 10 DGCDMM CC(C)(C)c1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC001248884182 1105186784 /nfs/dbraw/zinc/18/67/84/1105186784.db2.gz YWAKFHPABAXMKC-CQSZACIVSA-N -1 1 324.852 3.183 20 10 DGCDMM [O-]c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nn1 ZINC001256970398 1106518461 /nfs/dbraw/zinc/51/84/61/1106518461.db2.gz OSDGKBXBIAFQGG-UHFFFAOYSA-N -1 1 305.297 3.251 20 10 DGCDMM [O-]c1cnccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256974428 1106519343 /nfs/dbraw/zinc/51/93/43/1106519343.db2.gz BMYNLVLROIQLSA-UHFFFAOYSA-N -1 1 304.309 3.295 20 10 DGCDMM CC(C)c1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001306828957 1111243408 /nfs/dbraw/zinc/24/34/08/1111243408.db2.gz FBMPWJUXPCREMG-UHFFFAOYSA-N -1 1 303.333 3.290 20 10 DGCDMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000277587661 432862247 /nfs/dbraw/zinc/86/22/47/432862247.db2.gz VHPZCWJQVSMKHM-UHFFFAOYSA-N -1 1 321.398 3.127 20 10 DGCDMM CCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277470011 432852682 /nfs/dbraw/zinc/85/26/82/432852682.db2.gz HTIVJJXPBFJRSE-UHFFFAOYSA-N -1 1 300.196 3.351 20 10 DGCDMM CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccc(F)cc2[O-])no1 ZINC000290034569 432983143 /nfs/dbraw/zinc/98/31/43/432983143.db2.gz DCQVDKYKMDZPJG-MFKMUULPSA-N -1 1 323.368 3.253 20 10 DGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000375333998 433431544 /nfs/dbraw/zinc/43/15/44/433431544.db2.gz AYWFQAOLQHAIGB-HOTGVXAUSA-N -1 1 323.820 3.392 20 10 DGCDMM Cc1cccc([C@H]2CCN(C(=O)c3c([O-])c(O)ccc3F)C2)c1 ZINC000294962902 434156474 /nfs/dbraw/zinc/15/64/74/434156474.db2.gz NOOMUSYSMFYBBT-ZDUSSCGKSA-N -1 1 315.344 3.175 20 10 DGCDMM CN(CCCCc1ccccc1)C(=O)c1c([O-])c(O)ccc1F ZINC000294991747 434159993 /nfs/dbraw/zinc/15/99/93/434159993.db2.gz ZARDMXCQDDNNHL-UHFFFAOYSA-N -1 1 317.360 3.332 20 10 DGCDMM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000734406100 574659746 /nfs/dbraw/zinc/65/97/46/574659746.db2.gz OKOZUNSOHIRNAH-UHFFFAOYSA-N -1 1 318.804 3.350 20 10 DGCDMM COc1ccc(O)c([C@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000729535541 575254769 /nfs/dbraw/zinc/25/47/69/575254769.db2.gz SXQMQYIWXTZAEK-VIFPVBQESA-N -1 1 321.760 3.251 20 10 DGCDMM O=C(COC(=O)c1ccc2ccccc2c1)c1ccc([O-])c(O)c1 ZINC000916590006 620637374 /nfs/dbraw/zinc/63/73/74/620637374.db2.gz WJXFVAUECUFAKQ-UHFFFAOYSA-N -1 1 322.316 3.291 20 10 DGCDMM CC[C@H](NCc1cnn(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806167114 617646324 /nfs/dbraw/zinc/64/63/24/617646324.db2.gz KXTVNXIOVOHCAW-LBPRGKRZSA-N -1 1 315.204 3.068 20 10 DGCDMM CCCC(O)(CCC)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760157 617656371 /nfs/dbraw/zinc/65/63/71/617656371.db2.gz KAXZTEZUCFUVSG-UHFFFAOYSA-N -1 1 313.825 3.383 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCCC1(F)F ZINC000890761362 617657026 /nfs/dbraw/zinc/65/70/26/617657026.db2.gz PNUNBNHDEONYBO-SNVBAGLBSA-N -1 1 303.736 3.487 20 10 DGCDMM C[C@@H]1CCCc2ncc(C(=O)NCc3cccc(Cl)c3[O-])n21 ZINC000890761252 617657045 /nfs/dbraw/zinc/65/70/45/617657045.db2.gz NVVTVFVFLWYRTB-SNVBAGLBSA-N -1 1 319.792 3.069 20 10 DGCDMM O=C(Cc1csc(C2CC2)n1)NCc1cccc(Cl)c1[O-] ZINC000890762415 617657991 /nfs/dbraw/zinc/65/79/91/617657991.db2.gz BVAZRTJIRMFJHL-UHFFFAOYSA-N -1 1 322.817 3.238 20 10 DGCDMM O=C(C[C@@H]1CCCC1(F)F)NCc1cccc(Cl)c1[O-] ZINC000890762579 617658005 /nfs/dbraw/zinc/65/80/05/617658005.db2.gz GMKGGIBAIVTFRZ-JTQLQIEISA-N -1 1 303.736 3.487 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000890762781 617658517 /nfs/dbraw/zinc/65/85/17/617658517.db2.gz INDHVBIZMYQLEI-GFCCVEGCSA-N -1 1 323.820 3.401 20 10 DGCDMM CC(C)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(=O)[nH]1 ZINC000890763575 617659078 /nfs/dbraw/zinc/65/90/78/617659078.db2.gz YLDJFAIDVAOPEN-UHFFFAOYSA-N -1 1 320.776 3.200 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000890763494 617659197 /nfs/dbraw/zinc/65/91/97/617659197.db2.gz XABPBDKSVXTGGK-CJNGLKHVSA-N -1 1 309.793 3.011 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2CC(C(F)(F)F)C2)c1 ZINC000894892199 618489567 /nfs/dbraw/zinc/48/95/67/618489567.db2.gz ZHFDVQGUNKMOIY-UHFFFAOYSA-N -1 1 324.140 3.457 20 10 DGCDMM CCSCC[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893345244 618523725 /nfs/dbraw/zinc/52/37/25/618523725.db2.gz YSYDNOYRUHYMLG-SNVBAGLBSA-N -1 1 316.854 3.377 20 10 DGCDMM [O-]c1c(F)cc(F)cc1CNc1nnc(CC2CCCC2)o1 ZINC000905407630 619994592 /nfs/dbraw/zinc/99/45/92/619994592.db2.gz GTQSGYRDIQGJOK-UHFFFAOYSA-N -1 1 309.316 3.398 20 10 DGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC(Cc3ccco3)C2)c1[O-] ZINC000862487172 621595303 /nfs/dbraw/zinc/59/53/03/621595303.db2.gz NWIUXIGODPENKR-UHFFFAOYSA-N -1 1 322.748 3.221 20 10 DGCDMM [O-]c1c(Cl)cccc1CNc1cccc(-n2nccn2)c1 ZINC000864043433 621730949 /nfs/dbraw/zinc/73/09/49/621730949.db2.gz KFKVIPRPSBTIOY-UHFFFAOYSA-N -1 1 300.749 3.238 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CC3(C2)CC(F)(F)C3)c1[O-] ZINC000761115343 621987910 /nfs/dbraw/zinc/98/79/10/621987910.db2.gz RJZVHALTBPMCLI-UHFFFAOYSA-N -1 1 315.747 3.479 20 10 DGCDMM CC/C=C(\F)C(=O)NCc1cccc(Br)c1[O-] ZINC000867831294 622187046 /nfs/dbraw/zinc/18/70/46/622187046.db2.gz TWKULZRQUPFJCX-WMZJFQQLSA-N -1 1 302.143 3.034 20 10 DGCDMM O=[N+]([O-])c1ncccc1NCc1cccc(Br)c1[O-] ZINC000764935488 622233993 /nfs/dbraw/zinc/23/39/93/622233993.db2.gz VESHNJJLXHIJNX-UHFFFAOYSA-N -1 1 324.134 3.070 20 10 DGCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc([O-])c(F)c1 ZINC000768252598 622447557 /nfs/dbraw/zinc/44/75/57/622447557.db2.gz BLAOSYZHOSXJGT-UHFFFAOYSA-N -1 1 303.333 3.289 20 10 DGCDMM Cc1cccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000769480402 622532348 /nfs/dbraw/zinc/53/23/48/622532348.db2.gz NMZQOIIUYHNOLM-UHFFFAOYSA-N -1 1 321.764 3.289 20 10 DGCDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])Sc1ccccc1 ZINC000789987043 625591275 /nfs/dbraw/zinc/59/12/75/625591275.db2.gz PTIXDTCYYMMNHF-SNVBAGLBSA-N -1 1 321.373 3.148 20 10 DGCDMM COc1cc(Cl)c(C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000124651207 623211621 /nfs/dbraw/zinc/21/16/21/623211621.db2.gz SVGQCJKUJZRYCN-YCRREMRBSA-N -1 1 320.222 3.491 20 10 DGCDMM CC[C@H](C)c1nnc([C@H](C)NCc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877475120 623899284 /nfs/dbraw/zinc/89/92/84/623899284.db2.gz MBJWBIMVHKMFAO-IUCAKERBSA-N -1 1 310.348 3.153 20 10 DGCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000781896040 624166855 /nfs/dbraw/zinc/16/68/55/624166855.db2.gz GMJHFZOKHPYCSJ-WDEREUQCSA-N -1 1 314.223 3.072 20 10 DGCDMM CC[C@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000785492372 624676032 /nfs/dbraw/zinc/67/60/32/624676032.db2.gz AXDNWNLKCZRTSS-MRXNPFEDSA-N -1 1 311.809 3.249 20 10 DGCDMM C[C@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1F ZINC000883157497 625946448 /nfs/dbraw/zinc/94/64/48/625946448.db2.gz AEBYVXNUVURICO-VFZGTOFNSA-N -1 1 311.303 3.021 20 10 DGCDMM CC[C@@H](NCc1cnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806168660 626703495 /nfs/dbraw/zinc/70/34/95/626703495.db2.gz WGZZNSZRCCSULR-LLVKDONJSA-N -1 1 315.204 3.068 20 10 DGCDMM C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1c([O-])cccc1F ZINC000886547884 627160783 /nfs/dbraw/zinc/16/07/83/627160783.db2.gz SZDWDYZZULCIBA-NOZJJQNGSA-N -1 1 311.303 3.194 20 10 DGCDMM C[C@H](NCc1nccc(C(F)(F)F)n1)c1c([O-])cccc1F ZINC000886625306 627176238 /nfs/dbraw/zinc/17/62/38/627176238.db2.gz NEWHYVQJSKBNFM-QMMMGPOBSA-N -1 1 315.270 3.191 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](CO)Cc2ccccc21 ZINC000814169725 627545975 /nfs/dbraw/zinc/54/59/75/627545975.db2.gz LTTKDVLFNKUPIA-NSHDSACASA-N -1 1 321.779 3.356 20 10 DGCDMM Cn1c(=O)oc2c1cccc2NCc1cc(Cl)c(F)cc1[O-] ZINC000816558588 627807728 /nfs/dbraw/zinc/80/77/28/627807728.db2.gz FJVPFMVOBWEAEN-UHFFFAOYSA-N -1 1 322.723 3.242 20 10 DGCDMM Cn1c(=O)oc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC000816563672 627808359 /nfs/dbraw/zinc/80/83/59/627808359.db2.gz GLKPRAOZNRWFMM-UHFFFAOYSA-N -1 1 322.723 3.242 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](CO)Cc2ccccc21 ZINC000816617017 627815216 /nfs/dbraw/zinc/81/52/16/627815216.db2.gz MALGINHXYWGYKQ-NSHDSACASA-N -1 1 321.779 3.356 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818230256 628007336 /nfs/dbraw/zinc/00/73/36/628007336.db2.gz OXLKQMOHEOUWOH-CVEARBPZSA-N -1 1 302.305 3.027 20 10 DGCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC000820402275 628253743 /nfs/dbraw/zinc/25/37/43/628253743.db2.gz JJYJPKSYGUYYCM-UHFFFAOYSA-N -1 1 324.384 3.392 20 10 DGCDMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cccc(Br)c1[O-] ZINC000830529107 629281375 /nfs/dbraw/zinc/28/13/75/629281375.db2.gz DBCSLFHCVLMVOZ-SCVCMEIPSA-N -1 1 324.218 3.207 20 10 DGCDMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1cccc(Br)c1[O-] ZINC000830529103 629281393 /nfs/dbraw/zinc/28/13/93/629281393.db2.gz DBCSLFHCVLMVOZ-JBLDHEPKSA-N -1 1 324.218 3.207 20 10 DGCDMM O=C(NCC1CC(c2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000831438771 629377896 /nfs/dbraw/zinc/37/78/96/629377896.db2.gz PZJVGPLZIYIUSO-UHFFFAOYSA-N -1 1 315.344 3.161 20 10 DGCDMM O=C([O-])N1CCC([N@H+](Cc2cc(Cl)ccc2[O-])C2CC2)CC1 ZINC000834081171 629669152 /nfs/dbraw/zinc/66/91/52/629669152.db2.gz DSQILRGJPKOUIA-UHFFFAOYSA-N -1 1 324.808 3.152 20 10 DGCDMM O=C([O-])N1CCC([N@@H+](Cc2cc(Cl)ccc2[O-])C2CC2)CC1 ZINC000834081171 629669156 /nfs/dbraw/zinc/66/91/56/629669156.db2.gz DSQILRGJPKOUIA-UHFFFAOYSA-N -1 1 324.808 3.152 20 10 DGCDMM CCC[C@@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837831617 630316396 /nfs/dbraw/zinc/31/63/96/630316396.db2.gz HBPPCLHANMBNBA-DGCLKSJQSA-N -1 1 306.358 3.040 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000846013979 631206097 /nfs/dbraw/zinc/20/60/97/631206097.db2.gz GLTOLYMXPLFMER-NWDGAFQWSA-N -1 1 324.218 3.207 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C\c1cc(F)ccc1Br ZINC000179499040 655893963 /nfs/dbraw/zinc/89/39/63/655893963.db2.gz APDSUAPJQXIPBX-YWEYNIOJSA-N -1 1 318.192 3.077 20 10 DGCDMM CC(C)(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000165400757 655987871 /nfs/dbraw/zinc/98/78/71/655987871.db2.gz KBGIIHRRACFLRA-LGMDPLHJSA-N -1 1 320.392 3.446 20 10 DGCDMM CCn1cc(NCc2cc(Br)cc(F)c2[O-])cn1 ZINC000715814264 661215281 /nfs/dbraw/zinc/21/52/81/661215281.db2.gz QVIXJIDUFSCZRK-UHFFFAOYSA-N -1 1 314.158 3.122 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1cc(F)cc(C(F)(F)F)c1 ZINC000157201379 659028773 /nfs/dbraw/zinc/02/87/73/659028773.db2.gz LRYLMMRKCWTHGL-FPYGCLRLSA-N -1 1 307.293 3.333 20 10 DGCDMM CCCc1cc(NC(=O)NCc2cccc(Cl)c2[O-])n(C)n1 ZINC000930682677 661421318 /nfs/dbraw/zinc/42/13/18/661421318.db2.gz VFSGZBWVCHRDGU-UHFFFAOYSA-N -1 1 322.796 3.053 20 10 DGCDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000192155461 662089362 /nfs/dbraw/zinc/08/93/62/662089362.db2.gz OTMDRWGZFNYXLD-UHFFFAOYSA-N -1 1 323.439 3.477 20 10 DGCDMM O=C([O-])[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086729851 662219240 /nfs/dbraw/zinc/21/92/40/662219240.db2.gz ABRVQHIPVOTENS-LLVKDONJSA-N -1 1 304.173 3.138 20 10 DGCDMM CCn1ccnc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000385355346 685173691 /nfs/dbraw/zinc/17/36/91/685173691.db2.gz VEXBSOGBASCCSI-UHFFFAOYSA-N -1 1 300.189 3.205 20 10 DGCDMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000397128401 685229286 /nfs/dbraw/zinc/22/92/86/685229286.db2.gz XIFKUOJOSMANDN-DTWKUNHWSA-N -1 1 318.200 3.384 20 10 DGCDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000399051362 685239448 /nfs/dbraw/zinc/23/94/48/685239448.db2.gz GOZOMAGYACPMGD-SCZZXKLOSA-N -1 1 318.200 3.242 20 10 DGCDMM Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001600236018 1192817021 /nfs/dbraw/zinc/81/70/21/1192817021.db2.gz FQIPXDIGIUVSTH-LBPRGKRZSA-N -1 1 302.374 3.203 20 10 DGCDMM Cc1cc([O-])c(C[NH2+]CCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001600286651 1192827370 /nfs/dbraw/zinc/82/73/70/1192827370.db2.gz USVPLAYAHJHJGQ-UHFFFAOYSA-N -1 1 319.788 3.385 20 10 DGCDMM O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001601869457 1192948812 /nfs/dbraw/zinc/94/88/12/1192948812.db2.gz WFZLHVZFYPHRJA-HNNXBMFYSA-N -1 1 317.772 3.230 20 10 DGCDMM O=C([O-])C[N@@H+](CCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC001602056657 1192957046 /nfs/dbraw/zinc/95/70/46/1192957046.db2.gz CHTCGECGOBIAAK-UHFFFAOYSA-N -1 1 319.788 3.175 20 10 DGCDMM CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001603832311 1193034713 /nfs/dbraw/zinc/03/47/13/1193034713.db2.gz PLTFTRKEOVQZQM-LBPRGKRZSA-N -1 1 303.761 3.116 20 10 DGCDMM C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc(N(C)C)cc1 ZINC001447968434 1182199589 /nfs/dbraw/zinc/19/95/89/1182199589.db2.gz JACFXYLQHHDHDZ-NSHDSACASA-N -1 1 302.349 3.088 20 10 DGCDMM Cc1cccc(OCCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001457039334 1182441154 /nfs/dbraw/zinc/44/11/54/1182441154.db2.gz WJXAELOEQQUZPV-UHFFFAOYSA-N -1 1 319.788 3.439 20 10 DGCDMM CCc1ccc(CN(C)C(=O)c2c([O-])c(O)ccc2F)cc1 ZINC001457502767 1182468703 /nfs/dbraw/zinc/46/87/03/1182468703.db2.gz ABLZQIQPZCQAHF-UHFFFAOYSA-N -1 1 303.333 3.072 20 10 DGCDMM COc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1C ZINC001458028094 1182491533 /nfs/dbraw/zinc/49/15/33/1182491533.db2.gz UVEAGRDDBSTTAR-SNVBAGLBSA-N -1 1 319.332 3.045 20 10 DGCDMM NC(=O)Nc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001461305016 1182793570 /nfs/dbraw/zinc/79/35/70/1182793570.db2.gz WDWSRGHQHSIZKH-UHFFFAOYSA-N -1 1 309.728 3.287 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC001461905620 1182875254 /nfs/dbraw/zinc/87/52/54/1182875254.db2.gz ANPKMVWNSBXBFI-KRWDZBQOSA-N -1 1 323.314 3.383 20 10 DGCDMM O=C(/C=C\c1ccc(Cl)nc1)NCc1cccc(Cl)c1[O-] ZINC001606868389 1193206260 /nfs/dbraw/zinc/20/62/60/1193206260.db2.gz NYSRASZWKQUOLR-ALCCZGGFSA-N -1 1 323.179 3.424 20 10 DGCDMM O=C(Cc1cc(F)ccc1F)NCc1cccc(Cl)c1[O-] ZINC001606860685 1193206390 /nfs/dbraw/zinc/20/63/90/1193206390.db2.gz PTUHRTBVPRRBOY-UHFFFAOYSA-N -1 1 311.715 3.183 20 10 DGCDMM Cc1cc(N(C)C)ccc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC001607667847 1193246573 /nfs/dbraw/zinc/24/65/73/1193246573.db2.gz VWAZNJGQHBVIDN-UHFFFAOYSA-N -1 1 310.397 3.275 20 10 DGCDMM CC(=O)N(C)c1ccc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC001474186182 1183878483 /nfs/dbraw/zinc/87/84/83/1183878483.db2.gz VNHHHQBDVHKXEC-UHFFFAOYSA-N -1 1 323.755 3.175 20 10 DGCDMM COc1ccc(C)nc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001476371035 1184037168 /nfs/dbraw/zinc/03/71/68/1184037168.db2.gz GNDQFFBKYSDUEQ-UHFFFAOYSA-N -1 1 321.764 3.079 20 10 DGCDMM O=C([O-])c1cccc2[nH]c(NCc3c(O)cccc3Cl)[nH+]c21 ZINC001610849871 1193412922 /nfs/dbraw/zinc/41/29/22/1193412922.db2.gz FGEBZQVSPNWADY-UHFFFAOYSA-N -1 1 317.732 3.232 20 10 DGCDMM O=C([O-])c1cncc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC001610865970 1193414150 /nfs/dbraw/zinc/41/41/50/1193414150.db2.gz WZVVVATWVCSWGI-UHFFFAOYSA-N -1 1 313.140 3.404 20 10 DGCDMM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([O-])c(CC)c1 ZINC001568737908 1190584311 /nfs/dbraw/zinc/58/43/11/1190584311.db2.gz SBNDDJSXNJTDSZ-UHFFFAOYSA-N -1 1 320.385 3.076 20 10 DGCDMM Cc1ccc(C(=O)Nc2ccc(C(=O)C(C)C)cc2)c([O-])c1O ZINC001570908833 1190974927 /nfs/dbraw/zinc/97/49/27/1190974927.db2.gz UGTUPFNUWFDVRQ-UHFFFAOYSA-N -1 1 313.353 3.497 20 10 DGCDMM CN(C)c1nccc2c1CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001621568293 1193860073 /nfs/dbraw/zinc/86/00/73/1193860073.db2.gz JBJIHWPXRUBVRI-UHFFFAOYSA-N -1 1 317.820 3.065 20 10 DGCDMM Cc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC001637227157 1194657919 /nfs/dbraw/zinc/65/79/19/1194657919.db2.gz PQVHRZVVLPXQTB-UHFFFAOYSA-N -1 1 320.732 3.192 20 10 DGCDMM COCc1cccc(CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001637226978 1194657975 /nfs/dbraw/zinc/65/79/75/1194657975.db2.gz HSGJMDQSAULLIP-UHFFFAOYSA-N -1 1 319.788 3.051 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC001637226836 1194658246 /nfs/dbraw/zinc/65/82/46/1194658246.db2.gz BJYVHMROCCXQHG-UONOGXRCSA-N -1 1 301.773 3.466 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2c(c1)CCOC2 ZINC001637232731 1194658567 /nfs/dbraw/zinc/65/85/67/1194658567.db2.gz XANCGUCTQBFJHY-UHFFFAOYSA-N -1 1 317.772 3.048 20 10 DGCDMM Cc1cc(C)c(C(=O)NCc2cccc(Cl)c2[O-])cc1C=O ZINC001640405265 1194811495 /nfs/dbraw/zinc/81/14/95/1194811495.db2.gz OQUZKKYBHCLXPQ-UHFFFAOYSA-N -1 1 317.772 3.405 20 10 DGCDMM Cc1cnccc1/C=C/C(=O)NCc1cccc(Cl)c1[O-] ZINC001640405267 1194811836 /nfs/dbraw/zinc/81/18/36/1194811836.db2.gz OSLMNWALJCDTHG-AATRIKPKSA-N -1 1 302.761 3.079 20 10 DGCDMM O=C(Cc1ccc2c(c1)CCC2)NCc1cccc(Cl)c1[O-] ZINC001647827049 1195256278 /nfs/dbraw/zinc/25/62/78/1195256278.db2.gz UNXSMGLKYORMOJ-UHFFFAOYSA-N -1 1 315.800 3.393 20 10 DGCDMM C[C@@H](CCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC001648745806 1195327940 /nfs/dbraw/zinc/32/79/40/1195327940.db2.gz VPYBXULCNNIYDY-NSHDSACASA-N -1 1 303.333 3.161 20 10 DGCDMM C[C@@H](NCc1ccc(F)c(F)c1[O-])c1c(F)cncc1F ZINC001652430117 1195597181 /nfs/dbraw/zinc/59/71/81/1195597181.db2.gz PBNVUQJZTOEYPA-SSDOTTSWSA-N -1 1 300.255 3.194 20 10 DGCDMM CCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(O)c1 ZINC001653567355 1195735034 /nfs/dbraw/zinc/73/50/34/1195735034.db2.gz VZRUBWLRFXWFTG-UHFFFAOYSA-N -1 1 305.761 3.244 20 10 DGCDMM CCCOc1cccnc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001653567117 1195735311 /nfs/dbraw/zinc/73/53/11/1195735311.db2.gz LFLMKLDHMKAIFP-UHFFFAOYSA-N -1 1 320.776 3.159 20 10 DGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](C2CCCC2)C1 ZINC001654858825 1195847990 /nfs/dbraw/zinc/84/79/90/1195847990.db2.gz GZDNBIWAKXWVRH-GFCCVEGCSA-N -1 1 307.365 3.279 20 10 DGCDMM Cn1cc(NCc2cc(F)cc(F)c2[O-])c(-c2ccco2)n1 ZINC001658312850 1196240769 /nfs/dbraw/zinc/24/07/69/1196240769.db2.gz WYQXHTQPFGGTFN-UHFFFAOYSA-N -1 1 305.284 3.276 20 10 DGCDMM COc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC001659926995 1196429445 /nfs/dbraw/zinc/42/94/45/1196429445.db2.gz ISHUJGDPWWNGCY-UHFFFAOYSA-N -1 1 321.764 3.079 20 10 DGCDMM COc1ccc(N(C)Cc2cc(F)cc(F)c2[O-])cc1OC ZINC001665102179 1197097374 /nfs/dbraw/zinc/09/73/74/1197097374.db2.gz NZHXTOZKUIMDCH-UHFFFAOYSA-N -1 1 309.312 3.324 20 10 DGCDMM [O-]c1c(F)cc(Cl)cc1CN1c2ccccc2C[C@H]1CO ZINC001665101382 1197098206 /nfs/dbraw/zinc/09/82/06/1197098206.db2.gz CTXSKZYVMZVNDG-ZDUSSCGKSA-N -1 1 307.752 3.108 20 10 DGCDMM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001603609406 973875544 /nfs/dbraw/zinc/87/55/44/973875544.db2.gz JJDMAIABLHLDLR-MRXNPFEDSA-N -1 1 311.809 3.431 20 10 DGCDMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001603609406 973875552 /nfs/dbraw/zinc/87/55/52/973875552.db2.gz JJDMAIABLHLDLR-MRXNPFEDSA-N -1 1 311.809 3.431 20 10 DGCDMM CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(F)c(F)c1[O-])CC1CC1 ZINC001594787335 981817611 /nfs/dbraw/zinc/81/76/11/981817611.db2.gz APJIFYYFYFUPCZ-INIZCTEOSA-N -1 1 313.344 3.136 20 10 DGCDMM COc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1C ZINC001599572979 998395171 /nfs/dbraw/zinc/39/51/71/998395171.db2.gz OGMPREDWAXBJID-UHFFFAOYSA-N -1 1 303.333 3.131 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1CCC(CF)CC1 ZINC001233032220 1098208559 /nfs/dbraw/zinc/20/85/59/1098208559.db2.gz WKWHTDITHYGOMI-UHFFFAOYSA-N -1 1 320.177 3.475 20 10 DGCDMM Cc1csc2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc12 ZINC001170316838 1082345586 /nfs/dbraw/zinc/34/55/86/1082345586.db2.gz QQQMRNXVIYQACI-UHFFFAOYSA-N -1 1 314.366 3.311 20 10 DGCDMM COCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001159033477 1088152834 /nfs/dbraw/zinc/15/28/34/1088152834.db2.gz JFCHJAQKGNAITJ-UHFFFAOYSA-N -1 1 305.761 3.122 20 10 DGCDMM Cc1nc(Cl)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159033159 1088153474 /nfs/dbraw/zinc/15/34/74/1088153474.db2.gz CJBLPRGPOVXTQJ-UHFFFAOYSA-N -1 1 311.168 3.332 20 10 DGCDMM Cc1ccc2nc(NCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC001159273473 1088266084 /nfs/dbraw/zinc/26/60/84/1088266084.db2.gz WWTXYIRMHSLRLH-UHFFFAOYSA-N -1 1 308.337 3.249 20 10 DGCDMM O=C(CNc1ncc(F)c2ccccc21)c1ccc([O-])c(O)c1 ZINC001159278738 1088268984 /nfs/dbraw/zinc/26/89/84/1088268984.db2.gz AHHATMZJCWIEDF-UHFFFAOYSA-N -1 1 312.300 3.080 20 10 DGCDMM COC(=O)c1cccc(CN(C)Cc2c(F)ccc(F)c2[O-])c1 ZINC001139686316 1091642873 /nfs/dbraw/zinc/64/28/73/1091642873.db2.gz UPXNMXAIEONCFF-UHFFFAOYSA-N -1 1 321.323 3.089 20 10 DGCDMM Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)nc1 ZINC001140466184 1091878483 /nfs/dbraw/zinc/87/84/83/1091878483.db2.gz AJNVCRXDRLLQOR-UHFFFAOYSA-N -1 1 317.820 3.071 20 10 DGCDMM COc1ccccc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216951639 1094283366 /nfs/dbraw/zinc/28/33/66/1094283366.db2.gz IVYJYFDEFKWOFX-UHFFFAOYSA-N -1 1 318.716 3.477 20 10 DGCDMM O=C(NCCc1ccc(F)cc1)NCc1cccc(Cl)c1[O-] ZINC001222100195 1095434712 /nfs/dbraw/zinc/43/47/12/1095434712.db2.gz KZJQGGKXTAOIDP-UHFFFAOYSA-N -1 1 322.767 3.227 20 10 DGCDMM Cc1oc(CN(C)Cc2ccc(N(C)C)cc2C)cc1C(=O)[O-] ZINC001339117670 1095503777 /nfs/dbraw/zinc/50/37/77/1095503777.db2.gz IWZSNBJDMOQRLS-UHFFFAOYSA-N -1 1 316.401 3.293 20 10 DGCDMM CSc1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)o1 ZINC001117547831 1095781600 /nfs/dbraw/zinc/78/16/00/1095781600.db2.gz MNNWVHVHJMRBMI-UHFFFAOYSA-N -1 1 309.734 3.443 20 10 DGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1C=CCC1 ZINC001227579998 1096953958 /nfs/dbraw/zinc/95/39/58/1096953958.db2.gz DJHCVOFQNRQBAB-LLVKDONJSA-N -1 1 306.317 3.265 20 10 DGCDMM CCN(Cc1ccc(C(=O)[O-])cc1O)Cc1cccc(F)c1F ZINC001231454140 1097753452 /nfs/dbraw/zinc/75/34/52/1097753452.db2.gz OLMOAQMYGCDGHM-UHFFFAOYSA-N -1 1 321.323 3.391 20 10 DGCDMM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233030093 1098206974 /nfs/dbraw/zinc/20/69/74/1098206974.db2.gz MXXQWEPCMDIDDB-ARENWVFISA-N -1 1 318.161 3.226 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC001233334571 1098292500 /nfs/dbraw/zinc/29/25/00/1098292500.db2.gz MECFWDUOFHSWCK-MRXNPFEDSA-N -1 1 305.324 3.244 20 10 DGCDMM [O-]c1ccc(F)c(F)c1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC001233336521 1098294075 /nfs/dbraw/zinc/29/40/75/1098294075.db2.gz OMOWKKYVFXWOPH-HNNXBMFYSA-N -1 1 323.314 3.383 20 10 DGCDMM [O-]c1c(CN2CCc3cnccc3C2)cccc1C(F)(F)F ZINC001233415663 1098323197 /nfs/dbraw/zinc/32/31/97/1098323197.db2.gz DTLQUEKYXMPJBC-UHFFFAOYSA-N -1 1 308.303 3.364 20 10 DGCDMM CCCCOC1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418111 1098324444 /nfs/dbraw/zinc/32/44/44/1098324444.db2.gz UNMCQHWNFSJXQO-UHFFFAOYSA-N -1 1 303.324 3.412 20 10 DGCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)COc1cccc(C)c1 ZINC001234476724 1098566387 /nfs/dbraw/zinc/56/63/87/1098566387.db2.gz OQLUKTCRUGYTQK-GFCCVEGCSA-N -1 1 316.353 3.455 20 10 DGCDMM Cc1cncc(/C=C\C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001180410834 1099411278 /nfs/dbraw/zinc/41/12/78/1099411278.db2.gz RJNWGILQBPGCLB-WAYWQWQTSA-N -1 1 302.761 3.079 20 10 DGCDMM CCCN(CC(=O)OCC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236799404 1099794651 /nfs/dbraw/zinc/79/46/51/1099794651.db2.gz OGIFBYVTLJWXCK-UHFFFAOYSA-N -1 1 320.216 3.474 20 10 DGCDMM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@H]1F ZINC001236794843 1099790299 /nfs/dbraw/zinc/79/02/99/1099790299.db2.gz VQXRMAFFOMUZAQ-NSHDSACASA-N -1 1 306.164 3.202 20 10 DGCDMM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001237079628 1099957438 /nfs/dbraw/zinc/95/74/38/1099957438.db2.gz MZBYMKUPOCFYIX-KCJUWKMLSA-N -1 1 324.154 3.165 20 10 DGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCc2cc(CO)ccc2C1 ZINC001237809005 1100252873 /nfs/dbraw/zinc/25/28/73/1100252873.db2.gz YBAXPJWSPMZCDJ-UHFFFAOYSA-N -1 1 321.779 3.235 20 10 DGCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237806373 1100254252 /nfs/dbraw/zinc/25/42/52/1100254252.db2.gz VBIRCVAOAJCXQT-ZDUSSCGKSA-N -1 1 321.726 3.185 20 10 DGCDMM Cc1cnc2c(c1)CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237939255 1100298240 /nfs/dbraw/zinc/29/82/40/1100298240.db2.gz AGXOSQBWVLUMAE-UHFFFAOYSA-N -1 1 306.768 3.446 20 10 DGCDMM CC(=O)Nc1ccc(NCc2c([O-])ccc(Cl)c2F)nc1 ZINC001326248751 1103246212 /nfs/dbraw/zinc/24/62/12/1103246212.db2.gz KXHOHHGFLJYJBH-UHFFFAOYSA-N -1 1 309.728 3.150 20 10 DGCDMM Cc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1C ZINC001259167124 1107088107 /nfs/dbraw/zinc/08/81/07/1107088107.db2.gz YHXOJVPISBXCTB-UHFFFAOYSA-N -1 1 313.325 3.088 20 10 DGCDMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c1 ZINC001259524513 1107160055 /nfs/dbraw/zinc/16/00/55/1107160055.db2.gz VVCFSMKCGLYYPD-UHFFFAOYSA-N -1 1 304.415 3.170 20 10 DGCDMM C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001305070046 1111192926 /nfs/dbraw/zinc/19/29/26/1111192926.db2.gz XGVCTFDLQPBXBK-SNVBAGLBSA-N -1 1 323.751 3.268 20 10 DGCDMM O=C(CCOc1ccc(F)cc1)NCc1cccc(Cl)c1[O-] ZINC001305069466 1111192993 /nfs/dbraw/zinc/19/29/93/1111192993.db2.gz GBSZKDZLFYVCIZ-UHFFFAOYSA-N -1 1 323.751 3.270 20 10 DGCDMM [O-]c1cc(F)c(F)cc1CN1CCC=C(Br)C1 ZINC001308717445 1111465017 /nfs/dbraw/zinc/46/50/17/1111465017.db2.gz FHTLIJZNKWCCTO-UHFFFAOYSA-N -1 1 304.134 3.155 20 10 DGCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000041371759 183187454 /nfs/dbraw/zinc/18/74/54/183187454.db2.gz BLEMEIKVAKOVLB-UHFFFAOYSA-N -1 1 316.426 3.396 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3CCC[C@@H]32)c1[O-] ZINC000043426175 431868631 /nfs/dbraw/zinc/86/86/31/431868631.db2.gz KPVKPOHRXDEQQL-LSDHHAIUSA-N -1 1 309.793 3.002 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccn2)c1[O-] ZINC000050134243 431946679 /nfs/dbraw/zinc/94/66/79/431946679.db2.gz AZYQUFWVKRAMNZ-UHFFFAOYSA-N -1 1 304.777 3.275 20 10 DGCDMM CCn1cnnc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273435797 432599548 /nfs/dbraw/zinc/59/95/48/432599548.db2.gz WZGBFDDPXDOTDW-QMMMGPOBSA-N -1 1 315.204 3.161 20 10 DGCDMM O=C(C1CCN(Cc2cccc(Cl)c2[O-])CC1)C(F)(F)F ZINC000187654561 432675303 /nfs/dbraw/zinc/67/53/03/432675303.db2.gz RGMWIYRHVNWTDJ-UHFFFAOYSA-N -1 1 321.726 3.389 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H](CO)c1ccccc1 ZINC000295039714 434163600 /nfs/dbraw/zinc/16/36/00/434163600.db2.gz MMJJHQAVQWOFRR-OAHLLOKOSA-N -1 1 309.768 3.350 20 10 DGCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1[O-] ZINC000748023672 575556501 /nfs/dbraw/zinc/55/65/01/575556501.db2.gz HTTHVQHANKEQPS-UHFFFAOYSA-N -1 1 314.360 3.062 20 10 DGCDMM CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890756443 617655924 /nfs/dbraw/zinc/65/59/24/617655924.db2.gz DDRZGUJMBZXTLX-UHFFFAOYSA-N -1 1 320.776 3.123 20 10 DGCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1c([O-])ccc(Cl)c1F ZINC000854243981 620787571 /nfs/dbraw/zinc/78/75/71/620787571.db2.gz KCBBOABXDBKVBZ-UHFFFAOYSA-N -1 1 303.761 3.117 20 10 DGCDMM CC1(C)CCc2cc(C=C3SC(=S)[N-]C3=O)ccc2O1 ZINC000920241230 620793157 /nfs/dbraw/zinc/79/31/57/620793157.db2.gz OQBOSTPHXHJNQS-XYOKQWHBSA-N -1 1 305.424 3.279 20 10 DGCDMM Oc1c(F)cc(F)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000894474820 618349290 /nfs/dbraw/zinc/34/92/90/618349290.db2.gz YRUXULXYZJFFHQ-UHFFFAOYSA-N -1 1 319.351 3.154 20 10 DGCDMM CS[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893288577 618498145 /nfs/dbraw/zinc/49/81/45/618498145.db2.gz AQTJSCJOSRUEMM-MNOVXSKESA-N -1 1 314.838 3.129 20 10 DGCDMM COC(C)(C)c1nsc(NCc2cccc(Cl)c2[O-])n1 ZINC000897391887 619102427 /nfs/dbraw/zinc/10/24/27/619102427.db2.gz DOIZDPYTZPTDAK-UHFFFAOYSA-N -1 1 313.810 3.391 20 10 DGCDMM CC(C)(CCS(=O)(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000901684599 619533615 /nfs/dbraw/zinc/53/36/15/619533615.db2.gz VWICLLRHPRFUEK-UHFFFAOYSA-N -1 1 319.373 3.238 20 10 DGCDMM O=C1[N-]C(=S)S/C1=C/c1c(F)cccc1OC(F)(F)F ZINC000789128424 625368577 /nfs/dbraw/zinc/36/85/77/625368577.db2.gz SXMNEVREDXVGBV-XBXARRHUSA-N -1 1 323.292 3.213 20 10 DGCDMM COc1cc(N[C@H](C)c2cc(F)cc(F)c2[O-])cnc1OC ZINC000858482896 621196947 /nfs/dbraw/zinc/19/69/47/621196947.db2.gz VYPGBJOWLKRQDI-MRVPVSSYSA-N -1 1 310.300 3.256 20 10 DGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(C1)CCCOC2 ZINC000839138160 621339543 /nfs/dbraw/zinc/33/95/43/621339543.db2.gz IZDUZCMYCVNCEC-UHFFFAOYSA-N -1 1 302.201 3.311 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(-n2nccn2)c1 ZINC000864043628 621730926 /nfs/dbraw/zinc/73/09/26/621730926.db2.gz MSVYAMVTFLZURO-UHFFFAOYSA-N -1 1 318.739 3.378 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C1(F)CCCC1 ZINC000765755122 622285336 /nfs/dbraw/zinc/28/53/36/622285336.db2.gz FWKLVWBJKOTLSA-UHFFFAOYSA-N -1 1 316.170 3.053 20 10 DGCDMM Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)cc(F)c1[O-])N2 ZINC000768265259 622448212 /nfs/dbraw/zinc/44/82/12/622448212.db2.gz ASYOWESKZSQQCZ-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM O=C(N[C@H]1CCSc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000789944662 625585408 /nfs/dbraw/zinc/58/54/08/625585408.db2.gz VJUOLNIKMJFCLF-NSHDSACASA-N -1 1 319.357 3.204 20 10 DGCDMM CCOc1cccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789964280 625588551 /nfs/dbraw/zinc/58/85/51/625588551.db2.gz VCRRGCXTURPJHL-JTQLQIEISA-N -1 1 319.332 3.127 20 10 DGCDMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c([O-])c(O)ccc1F ZINC000789991708 625591852 /nfs/dbraw/zinc/59/18/52/625591852.db2.gz ZLQFTAXGJRYLHH-QWRGUYRKSA-N -1 1 303.333 3.159 20 10 DGCDMM CCCc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000774138664 623111470 /nfs/dbraw/zinc/11/14/70/623111470.db2.gz LRBUXBYBGCIDIH-GHRIWEEISA-N -1 1 306.365 3.101 20 10 DGCDMM [O-]c1c(CNCc2nc(C(F)(F)F)cs2)ccc(F)c1F ZINC000877057505 623778611 /nfs/dbraw/zinc/77/86/11/623778611.db2.gz GNHAMOUCXSOIQM-UHFFFAOYSA-N -1 1 324.274 3.436 20 10 DGCDMM [O-]c1c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541524 623934306 /nfs/dbraw/zinc/93/43/06/623934306.db2.gz PKAGPYXRTBZAFF-XJKSGUPXSA-N -1 1 309.356 3.204 20 10 DGCDMM Cc1cccc2c1N[C@@H](c1cc(Cl)c(F)cc1[O-])NC2=O ZINC000877846016 624067204 /nfs/dbraw/zinc/06/72/04/624067204.db2.gz OIOYXVYYTUTQTC-CQSZACIVSA-N -1 1 306.724 3.347 20 10 DGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000877857403 624071453 /nfs/dbraw/zinc/07/14/53/624071453.db2.gz QPMDQKHZWILKJN-ZDUSSCGKSA-N -1 1 310.825 3.301 20 10 DGCDMM CCCC[C@@H](CC)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783713246 624386148 /nfs/dbraw/zinc/38/61/48/624386148.db2.gz ZUEGULRQPIJGQY-GFCCVEGCSA-N -1 1 308.374 3.430 20 10 DGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(OCCO)cc1 ZINC000790983003 625729738 /nfs/dbraw/zinc/72/97/38/625729738.db2.gz ZEUQPKFQDLOZEI-UHFFFAOYSA-N -1 1 311.740 3.168 20 10 DGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883382200 626667651 /nfs/dbraw/zinc/66/76/51/626667651.db2.gz BGBGYBDFZBFJDL-NVXWUHKLSA-N -1 1 316.332 3.416 20 10 DGCDMM CC[C@@H](NCc1cn(C)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157419 626703193 /nfs/dbraw/zinc/70/31/93/626703193.db2.gz FSWPCMZYFQCVLC-GFCCVEGCSA-N -1 1 315.204 3.068 20 10 DGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135049175 626903628 /nfs/dbraw/zinc/90/36/28/626903628.db2.gz UCSHFIJCAOFQNK-NSHDSACASA-N -1 1 311.809 3.368 20 10 DGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000135049175 626903632 /nfs/dbraw/zinc/90/36/32/626903632.db2.gz UCSHFIJCAOFQNK-NSHDSACASA-N -1 1 311.809 3.368 20 10 DGCDMM Cc1ccoc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814175389 627546292 /nfs/dbraw/zinc/54/62/92/627546292.db2.gz UROKDFAPEGPECX-UHFFFAOYSA-N -1 1 310.737 3.487 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(OCCO)cc1 ZINC000816526411 627802151 /nfs/dbraw/zinc/80/21/51/627802151.db2.gz CZDZOHQKFWDDKB-UHFFFAOYSA-N -1 1 311.740 3.168 20 10 DGCDMM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000816594271 627812860 /nfs/dbraw/zinc/81/28/60/627812860.db2.gz WJTVEIWDIKARSN-LBPRGKRZSA-N -1 1 307.752 3.108 20 10 DGCDMM O=C1OCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816612997 627814685 /nfs/dbraw/zinc/81/46/85/627814685.db2.gz DWWAXMPLTPHXPU-UHFFFAOYSA-N -1 1 307.708 3.467 20 10 DGCDMM C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C(=O)[O-] ZINC000818631948 628045436 /nfs/dbraw/zinc/04/54/36/628045436.db2.gz WQSXVSYPHHDRGM-QPUJVOFHSA-N -1 1 318.200 3.384 20 10 DGCDMM C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C(=O)[O-] ZINC000818631947 628045586 /nfs/dbraw/zinc/04/55/86/628045586.db2.gz WQSXVSYPHHDRGM-PRHODGIISA-N -1 1 318.200 3.384 20 10 DGCDMM O=C(NCc1cccc(Br)c1[O-])C(F)=C1CCC1 ZINC000819515180 628165806 /nfs/dbraw/zinc/16/58/06/628165806.db2.gz VRINFUNWROHRDK-UHFFFAOYSA-N -1 1 314.154 3.178 20 10 DGCDMM CO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1(C)C ZINC000824820212 628697669 /nfs/dbraw/zinc/69/76/69/628697669.db2.gz BNQCTBSUTDALPC-ZDUSSCGKSA-N -1 1 301.789 3.432 20 10 DGCDMM C[C@]1(c2ccccc2)CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000826826407 628891977 /nfs/dbraw/zinc/89/19/77/628891977.db2.gz ZHWZXZZRHYBRJF-SFHVURJKSA-N -1 1 315.344 3.041 20 10 DGCDMM O=C(NCC[C@H]1CCc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000833398751 629597980 /nfs/dbraw/zinc/59/79/80/629597980.db2.gz KKXDJVJJAOTBPN-GFCCVEGCSA-N -1 1 315.344 3.087 20 10 DGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000833418791 629601987 /nfs/dbraw/zinc/60/19/87/629601987.db2.gz APAROUJBWFRLHU-LBPRGKRZSA-N -1 1 311.809 3.368 20 10 DGCDMM C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833694540 629641866 /nfs/dbraw/zinc/64/18/66/629641866.db2.gz LSYUAIDQHRVMQW-AWEZNQCLSA-N -1 1 323.751 3.442 20 10 DGCDMM CCC[C@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837831616 630316465 /nfs/dbraw/zinc/31/64/65/630316465.db2.gz HBPPCLHANMBNBA-AAEUAGOBSA-N -1 1 306.358 3.040 20 10 DGCDMM C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[O-])c2ncnn21 ZINC000850352279 632123001 /nfs/dbraw/zinc/12/30/01/632123001.db2.gz QYXZYWBWEHEYAH-CPCISQLKSA-N -1 1 313.188 3.086 20 10 DGCDMM CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)OC[C@@H]2C)c1[O-] ZINC000852441999 632603586 /nfs/dbraw/zinc/60/35/86/632603586.db2.gz VVDHRPYMSSMZKM-NSHDSACASA-N -1 1 323.820 3.392 20 10 DGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000192155348 657416577 /nfs/dbraw/zinc/41/65/77/657416577.db2.gz AQODBYXKLLIWSX-UHFFFAOYSA-N -1 1 313.375 3.054 20 10 DGCDMM CCNC(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000158054902 659134371 /nfs/dbraw/zinc/13/43/71/659134371.db2.gz AKKGUKXVKHCUPA-UHFFFAOYSA-N -1 1 304.777 3.407 20 10 DGCDMM CCO[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000155447500 661847114 /nfs/dbraw/zinc/84/71/14/661847114.db2.gz BRJYBWPTCLPVAT-LBPRGKRZSA-N -1 1 314.223 3.156 20 10 DGCDMM O=C(CSc1ncc(Cl)s1)c1ccc([O-])cc1O ZINC001641310973 1194848021 /nfs/dbraw/zinc/84/80/21/1194848021.db2.gz BSQYAOXPRSLAQF-UHFFFAOYSA-N -1 1 301.776 3.183 20 10 DGCDMM Cc1csc([C@H](C)N[C@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001600654042 1192889446 /nfs/dbraw/zinc/88/94/46/1192889446.db2.gz DAGFMZSXJYAIJA-ZJUUUORDSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CC=CCC1 ZINC001602056950 1192957621 /nfs/dbraw/zinc/95/76/21/1192957621.db2.gz FAQZICMYAKFJFF-GFCCVEGCSA-N -1 1 309.793 3.289 20 10 DGCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CC=CCC1 ZINC001602056950 1192957624 /nfs/dbraw/zinc/95/76/24/1192957624.db2.gz FAQZICMYAKFJFF-GFCCVEGCSA-N -1 1 309.793 3.289 20 10 DGCDMM O=C([O-])c1ccc2c(c1)CN(Cc1c(O)ccc(Cl)c1F)C2 ZINC001602421410 1192978638 /nfs/dbraw/zinc/97/86/38/1192978638.db2.gz GDTCMIKIKHPJTM-UHFFFAOYSA-N -1 1 321.735 3.399 20 10 DGCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC1 ZINC001603199028 1193010376 /nfs/dbraw/zinc/01/03/76/1193010376.db2.gz UNQJNHLMIPITNU-QMMMGPOBSA-N -1 1 301.745 3.012 20 10 DGCDMM CCSc1cccnc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001457034437 1182441067 /nfs/dbraw/zinc/44/10/67/1182441067.db2.gz GBWQNXXAZFMVDT-UHFFFAOYSA-N -1 1 322.817 3.483 20 10 DGCDMM Cc1cc(C(N)=O)ccc1NCc1c([O-])ccc(Cl)c1F ZINC001461789437 1182855066 /nfs/dbraw/zinc/85/50/66/1182855066.db2.gz JZGSJRJCBQAOOV-UHFFFAOYSA-N -1 1 308.740 3.204 20 10 DGCDMM C[N@@H+](Cc1ccc(Cl)cc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC001606157416 1193192626 /nfs/dbraw/zinc/19/26/26/1193192626.db2.gz OITWNMJYAAVFIP-HNNXBMFYSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@H+](Cc1ccc(Cl)cc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001606157416 1193192628 /nfs/dbraw/zinc/19/26/28/1193192628.db2.gz OITWNMJYAAVFIP-HNNXBMFYSA-N -1 1 305.761 3.303 20 10 DGCDMM C[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001606157416 1193192629 /nfs/dbraw/zinc/19/26/29/1193192629.db2.gz OITWNMJYAAVFIP-HNNXBMFYSA-N -1 1 305.761 3.303 20 10 DGCDMM CC(C)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])nc1 ZINC001606860797 1193206095 /nfs/dbraw/zinc/20/60/95/1193206095.db2.gz UGSVFBZMHGMXNN-UHFFFAOYSA-N -1 1 304.777 3.494 20 10 DGCDMM COc1cccc(F)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001472316817 1183634151 /nfs/dbraw/zinc/63/41/51/1183634151.db2.gz ILRYOGDXNSFTJX-UHFFFAOYSA-N -1 1 309.724 3.123 20 10 DGCDMM O=C(NCc1cccc(C(F)F)c1)c1c([O-])c(O)ccc1F ZINC001472545526 1183651851 /nfs/dbraw/zinc/65/18/51/1183651851.db2.gz KKJVRIBIXHRVTQ-UHFFFAOYSA-N -1 1 311.259 3.105 20 10 DGCDMM Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)ccc(O)c1[O-])CCC2 ZINC001472568974 1183652844 /nfs/dbraw/zinc/65/28/44/1183652844.db2.gz MFYOJMMHJNHCMV-CQSZACIVSA-N -1 1 315.344 3.353 20 10 DGCDMM Cc1cc([O-])c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001607700105 1193249490 /nfs/dbraw/zinc/24/94/90/1193249490.db2.gz SOPPEUZYEPLWIK-UHFFFAOYSA-N -1 1 305.761 3.342 20 10 DGCDMM Cc1cc([O-])c(C[NH+]2CCC(CCC(=O)[O-])CC2)cc1Cl ZINC001607700075 1193249515 /nfs/dbraw/zinc/24/95/15/1193249515.db2.gz RPBVKEFAOSJAJH-UHFFFAOYSA-N -1 1 311.809 3.431 20 10 DGCDMM COC(=O)[C@@](C)(NCc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001474657008 1183957051 /nfs/dbraw/zinc/95/70/51/1183957051.db2.gz PPAQMMMSSYQUCU-KRWDZBQOSA-N -1 1 319.788 3.224 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccn2ccnc2c1 ZINC001476536027 1184042549 /nfs/dbraw/zinc/04/25/49/1184042549.db2.gz VXAQUYJVPJFHNH-UHFFFAOYSA-N -1 1 316.748 3.015 20 10 DGCDMM Cc1ccc(O)c([C@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607811285 1193259667 /nfs/dbraw/zinc/25/96/67/1193259667.db2.gz OYVNHSDMFYKYSY-VHSXEESVSA-N -1 1 306.387 3.267 20 10 DGCDMM O=C([O-])C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC001608748157 1193302953 /nfs/dbraw/zinc/30/29/53/1193302953.db2.gz SBCLWZMLRJNIRV-UHFFFAOYSA-N -1 1 322.364 3.027 20 10 DGCDMM O=C([O-])C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC001608748157 1193302955 /nfs/dbraw/zinc/30/29/55/1193302955.db2.gz SBCLWZMLRJNIRV-UHFFFAOYSA-N -1 1 322.364 3.027 20 10 DGCDMM O=C([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC001608903531 1193312366 /nfs/dbraw/zinc/31/23/66/1193312366.db2.gz QREFBWDTCPZBDW-UHFFFAOYSA-N -1 1 313.140 3.404 20 10 DGCDMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])CCC2 ZINC001611423958 1193433182 /nfs/dbraw/zinc/43/31/82/1193433182.db2.gz MFYOJMMHJNHCMV-AWEZNQCLSA-N -1 1 315.344 3.353 20 10 DGCDMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(N(C)C)cc1 ZINC001616842628 1193549232 /nfs/dbraw/zinc/54/92/32/1193549232.db2.gz DSIZRVPMKIBYCT-LLVKDONJSA-N -1 1 302.349 3.088 20 10 DGCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([O-])cc1F ZINC001540729435 1188257834 /nfs/dbraw/zinc/25/78/34/1188257834.db2.gz XROQGXLUMXICGY-UHFFFAOYSA-N -1 1 314.360 3.062 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCC12CC2 ZINC001565166093 1189627652 /nfs/dbraw/zinc/62/76/52/1189627652.db2.gz IASHHPMASVQABI-GFCCVEGCSA-N -1 1 308.809 3.425 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1Cc2ccccc21 ZINC001629925941 1194259020 /nfs/dbraw/zinc/25/90/20/1194259020.db2.gz VETGUKVRZMXIPC-ZDUSSCGKSA-N -1 1 316.788 3.185 20 10 DGCDMM CSc1cc(C)ccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001638477272 1194721320 /nfs/dbraw/zinc/72/13/20/1194721320.db2.gz GAENEGWBGKRWBI-UHFFFAOYSA-N -1 1 321.373 3.197 20 10 DGCDMM Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640402296 1194811354 /nfs/dbraw/zinc/81/13/54/1194811354.db2.gz OVJNODMZACFTEW-LBPRGKRZSA-N -1 1 319.788 3.438 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(O)ccc1Cl ZINC001647829947 1195256921 /nfs/dbraw/zinc/25/69/21/1195256921.db2.gz APVLDWWLLITQBN-UHFFFAOYSA-N -1 1 312.152 3.335 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC001647826612 1195257010 /nfs/dbraw/zinc/25/70/10/1195257010.db2.gz BQDHQCAZIXZKNG-UHFFFAOYSA-N -1 1 324.695 3.023 20 10 DGCDMM Cc1ccc2oc(C(=O)NCc3cccc(Cl)c3[O-])cc2n1 ZINC001653567269 1195735293 /nfs/dbraw/zinc/73/52/93/1195735293.db2.gz RUNGJXOMGPJVFN-UHFFFAOYSA-N -1 1 316.744 3.425 20 10 DGCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2ccccc2[nH]1 ZINC001653563975 1195735682 /nfs/dbraw/zinc/73/56/82/1195735682.db2.gz VHXUGHQWCQNKLA-UHFFFAOYSA-N -1 1 300.745 3.457 20 10 DGCDMM O=C(N[C@@H]1CCCc2c(F)cccc21)c1c([O-])c(O)ccc1F ZINC001654618642 1195823651 /nfs/dbraw/zinc/82/36/51/1195823651.db2.gz HOCIGWHZZJGWQS-CYBMUJFWSA-N -1 1 319.307 3.183 20 10 DGCDMM CN1Cc2c(cccc2NCc2cc(Cl)cc(F)c2[O-])C1=O ZINC001656429487 1196039529 /nfs/dbraw/zinc/03/95/29/1196039529.db2.gz GLHXMRYGWCTTOI-UHFFFAOYSA-N -1 1 320.751 3.382 20 10 DGCDMM CC(=O)Nc1ccc(NCc2cc(Cl)cc(F)c2[O-])nc1 ZINC001657153139 1196112295 /nfs/dbraw/zinc/11/22/95/1196112295.db2.gz SSINWANHGNHPPK-UHFFFAOYSA-N -1 1 309.728 3.150 20 10 DGCDMM CC(C)CSCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC001679808106 1198827082 /nfs/dbraw/zinc/82/70/82/1198827082.db2.gz FZQMGEFYWOYUII-UHFFFAOYSA-N -1 1 316.854 3.234 20 10 DGCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC001686298426 1199551405 /nfs/dbraw/zinc/55/14/05/1199551405.db2.gz AFHDSLLFUDILOO-JTQLQIEISA-N -1 1 320.776 3.312 20 10 DGCDMM