smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593245773 994440531 /nfs/dbraw/zinc/44/05/31/994440531.db2.gz BVONKEXCYPLOFG-FZMZJTMJSA-N 0 0 349.358 2.320 20 10 EECDRN C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(C(=O)[O-])ccc1O ZINC001593268982 994596911 /nfs/dbraw/zinc/59/69/11/994596911.db2.gz YFCFVXLBUVLVMC-JSGCOSHPSA-N 0 0 347.415 2.031 20 10 EECDRN C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(C(=O)[O-])ccc1O ZINC001593362082 995029972 /nfs/dbraw/zinc/02/99/72/995029972.db2.gz CUUZOWIHGFZIHO-LBPRGKRZSA-N 0 0 342.399 2.068 20 10 EECDRN COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598803216 996159442 /nfs/dbraw/zinc/15/94/42/996159442.db2.gz KOOISRYSHXGTGG-DOTOQJQBSA-N 0 0 346.427 2.125 20 10 EECDRN CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001599124908 997822484 /nfs/dbraw/zinc/82/24/84/997822484.db2.gz VJBPOSVSQARWKF-JOYOIKCWSA-N 0 0 344.205 2.219 20 10 EECDRN COc1cc(O)c(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC001599445723 998006776 /nfs/dbraw/zinc/00/67/76/998006776.db2.gz GTDGLVBMYBYXSR-GOSISDBHSA-N 0 0 331.368 2.499 20 10 EECDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2ncccn2)C(=O)[O-])cc1F ZINC001118224569 1126146457 /nfs/dbraw/zinc/14/64/57/1126146457.db2.gz JXHLBGUHOKZKJX-HNNXBMFYSA-N 0 0 346.406 2.247 20 10 EECDRN Cc1cc(C(=O)NC(C)(C)CNC(N)=O)c(C)n1-c1ccc(F)cc1 ZINC001514802198 1118876298 /nfs/dbraw/zinc/87/62/98/1118876298.db2.gz XKFLFOIUGJQPRD-UHFFFAOYSA-N 0 0 346.406 2.410 20 10 EECDRN Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(O)c3O)CC2=O)cc1 ZINC001548790739 1124503399 /nfs/dbraw/zinc/50/33/99/1124503399.db2.gz GGZUXZLYWMRUFZ-AWEZNQCLSA-N 0 0 340.379 2.076 20 10 EECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ncc(F)cc1F ZINC000191889859 529988910 /nfs/dbraw/zinc/98/89/10/529988910.db2.gz QMZLONXPNPWDHF-UHFFFAOYSA-N 0 0 347.365 2.469 20 10 EECDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CN1CCCC1=O ZINC000026163239 202140221 /nfs/dbraw/zinc/14/02/21/202140221.db2.gz JYWNAMFBCJYQKV-SFHVURJKSA-N 0 0 330.428 2.371 20 10 EECDRN Cc1n[nH]c(C)c1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000187081213 236112858 /nfs/dbraw/zinc/11/28/58/236112858.db2.gz DJRQRHIVJDTUPZ-INIZCTEOSA-N 0 0 343.427 2.482 20 10 EECDRN COC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)[C@@H]1CCCO1 ZINC000350076083 238198617 /nfs/dbraw/zinc/19/86/17/238198617.db2.gz LLMRSBHCJUWGAS-QAPCUYQASA-N 0 0 345.443 2.480 20 10 EECDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)NC1CCCC1 ZINC000069739465 203042773 /nfs/dbraw/zinc/04/27/73/203042773.db2.gz YJVCAZKYWBEJMS-KRWDZBQOSA-N 0 0 332.444 2.432 20 10 EECDRN CSC1(CNC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000075498852 533499191 /nfs/dbraw/zinc/49/91/91/533499191.db2.gz OFBFBDMLNLTJTF-UHFFFAOYSA-N 0 0 337.489 2.464 20 10 EECDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1 ZINC000282811929 464958326 /nfs/dbraw/zinc/95/83/26/464958326.db2.gz RHECQMNWZPVYRO-SPYBWZPUSA-N 0 0 346.471 2.325 20 10 EECDRN C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4cccc(O)c43)ccn2)CC1 ZINC000296001790 465047702 /nfs/dbraw/zinc/04/77/02/465047702.db2.gz OKGFONGVEAVPKL-KRWDZBQOSA-N 0 0 338.455 2.316 20 10 EECDRN CCS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(N)cc2)cc1 ZINC000296880983 465237839 /nfs/dbraw/zinc/23/78/39/465237839.db2.gz FLSUFTCDGOIYSB-UHFFFAOYSA-N 0 0 346.452 2.311 20 10 EECDRN COc1cncnc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000297499518 465259190 /nfs/dbraw/zinc/25/91/90/465259190.db2.gz UVIKLCXLHVBBRK-UHFFFAOYSA-N 0 0 328.372 2.391 20 10 EECDRN CS[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000297509138 465259277 /nfs/dbraw/zinc/25/92/77/465259277.db2.gz XOWGCTHHIQVHCY-MRXNPFEDSA-N 0 0 335.473 2.170 20 10 EECDRN CN(C)C(=O)c1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000046607610 462691346 /nfs/dbraw/zinc/69/13/46/462691346.db2.gz FYJKTAKQIBCZGY-UHFFFAOYSA-N 0 0 341.411 2.436 20 10 EECDRN COCc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000065109080 462738564 /nfs/dbraw/zinc/73/85/64/462738564.db2.gz OFEFRUYEBNLWFD-UHFFFAOYSA-N 0 0 347.440 2.056 20 10 EECDRN CN(C)c1ccc(CNC(=O)CN2CCc3ccsc3C2)cc1 ZINC000132490460 462860178 /nfs/dbraw/zinc/86/01/78/462860178.db2.gz VPCHDVFXHNTHEZ-UHFFFAOYSA-N 0 0 329.469 2.489 20 10 EECDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000155632002 462920739 /nfs/dbraw/zinc/92/07/39/462920739.db2.gz LEYLQJUVAXRDET-UHFFFAOYSA-N 0 0 339.395 2.443 20 10 EECDRN CCCN(Cc1ccccc1O)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000120578301 463015103 /nfs/dbraw/zinc/01/51/03/463015103.db2.gz UVLYKCBRYKUCLE-UHFFFAOYSA-N 0 0 332.360 2.395 20 10 EECDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000054132623 463211384 /nfs/dbraw/zinc/21/13/84/463211384.db2.gz YALJJDJUEPFWJR-LBPRGKRZSA-N 0 0 338.454 2.073 20 10 EECDRN CCCOc1ccc(CN(CC)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000160574521 463351889 /nfs/dbraw/zinc/35/18/89/463351889.db2.gz MYTTYCJRMIHUOI-AWEZNQCLSA-N 0 0 327.446 2.190 20 10 EECDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)C1CC1 ZINC000123898813 463377158 /nfs/dbraw/zinc/37/71/58/463377158.db2.gz VFZMTZNHLGQYLQ-UHFFFAOYSA-N 0 0 334.235 2.469 20 10 EECDRN COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)c1O ZINC000161096893 463399412 /nfs/dbraw/zinc/39/94/12/463399412.db2.gz DXCSGAYNYUGKIJ-UHFFFAOYSA-N 0 0 333.409 2.368 20 10 EECDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(C)C1=O ZINC000163792485 463605555 /nfs/dbraw/zinc/60/55/55/463605555.db2.gz IDPARBQQRWYVRY-KRWDZBQOSA-N 0 0 344.459 2.049 20 10 EECDRN Nc1ccc(CC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000163916919 463609391 /nfs/dbraw/zinc/60/93/91/463609391.db2.gz CAWSHRLOVUFYPP-OAHLLOKOSA-N 0 0 335.411 2.260 20 10 EECDRN CCOc1cccc(CN2CCc3cc(S(N)(=O)=O)ccc32)c1O ZINC000127287473 463694693 /nfs/dbraw/zinc/69/46/93/463694693.db2.gz GOHRNCCYUCERLM-UHFFFAOYSA-N 0 0 348.424 2.001 20 10 EECDRN Cc1cc(C(=O)NCCOC(=O)C2CC2)c(C)n1-c1ccccn1 ZINC000283009356 463732493 /nfs/dbraw/zinc/73/24/93/463732493.db2.gz WGQLDYKKRITTEC-UHFFFAOYSA-N 0 0 327.384 2.172 20 10 EECDRN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000185792134 463880238 /nfs/dbraw/zinc/88/02/38/463880238.db2.gz BFDGDSRDYAPNJC-LLVKDONJSA-N 0 0 343.767 2.274 20 10 EECDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ncc(F)cc1F ZINC000277172798 463898388 /nfs/dbraw/zinc/89/83/88/463898388.db2.gz ZPHUUNOBRYHRGS-UHFFFAOYSA-N 0 0 333.338 2.126 20 10 EECDRN COCCOc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000277246413 463906339 /nfs/dbraw/zinc/90/63/39/463906339.db2.gz DGFQYDFDTBKYJA-UHFFFAOYSA-N 0 0 345.395 2.024 20 10 EECDRN COc1cccc(C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])c1 ZINC000277269727 463907219 /nfs/dbraw/zinc/90/72/19/463907219.db2.gz LHPSVOHLPGCQLA-QGZVFWFLSA-N 0 0 327.380 2.416 20 10 EECDRN COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478723 463966672 /nfs/dbraw/zinc/96/66/72/463966672.db2.gz IZPNLIULTCCSSG-ZWNOBZJWSA-N 0 0 338.360 2.083 20 10 EECDRN CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000288284222 464039463 /nfs/dbraw/zinc/03/94/63/464039463.db2.gz BHMRZIPWZCMGPU-UHFFFAOYSA-N 0 0 336.438 2.124 20 10 EECDRN CN1CCCc2cc(CNC(=O)N3CCC[C@]34CCOC4=O)ccc21 ZINC000186648658 464041687 /nfs/dbraw/zinc/04/16/87/464041687.db2.gz OLGVJTPARKAVCC-LJQANCHMSA-N 0 0 343.427 2.060 20 10 EECDRN CCn1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1=O ZINC000186661858 464042738 /nfs/dbraw/zinc/04/27/38/464042738.db2.gz FJZDMBXEOSVRHO-NSHDSACASA-N 0 0 331.372 2.032 20 10 EECDRN COc1nnccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000288709280 464056589 /nfs/dbraw/zinc/05/65/89/464056589.db2.gz DQHGSQFFFHOJDS-UHFFFAOYSA-N 0 0 328.372 2.391 20 10 EECDRN CNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289130424 464067916 /nfs/dbraw/zinc/06/79/16/464067916.db2.gz SMKAEIDMLGDDLL-MRXNPFEDSA-N 0 0 348.447 2.173 20 10 EECDRN COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1O ZINC000289569792 464085000 /nfs/dbraw/zinc/08/50/00/464085000.db2.gz ZPGNSBRYXJOSLF-UHFFFAOYSA-N 0 0 334.328 2.313 20 10 EECDRN COC(C)(C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000279298587 464085549 /nfs/dbraw/zinc/08/55/49/464085549.db2.gz ZMJVMZXWWHWJIC-UHFFFAOYSA-N 0 0 338.423 2.218 20 10 EECDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269771861 464088233 /nfs/dbraw/zinc/08/82/33/464088233.db2.gz BLOIGLRCORIKMW-ZDUSSCGKSA-N 0 0 345.355 2.450 20 10 EECDRN CC[C@H]1CCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000289934571 464101188 /nfs/dbraw/zinc/10/11/88/464101188.db2.gz OKRNQSOGKFWBLP-DOTOQJQBSA-N 0 0 331.460 2.406 20 10 EECDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1nnc2n1CCCCC2 ZINC000279423279 464102802 /nfs/dbraw/zinc/10/28/02/464102802.db2.gz YMFKCQRPJQTRPV-GFCCVEGCSA-N 0 0 330.388 2.297 20 10 EECDRN CN(C)c1ccc(CNC(=O)N[C@H](CCO)c2ccco2)cc1F ZINC000187238108 464109618 /nfs/dbraw/zinc/10/96/18/464109618.db2.gz BMZSQWQEAUYFMY-CQSZACIVSA-N 0 0 335.379 2.408 20 10 EECDRN COC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)O1 ZINC000187564733 464141703 /nfs/dbraw/zinc/14/17/03/464141703.db2.gz IOEXCRINNXBILL-QAPCUYQASA-N 0 0 345.443 2.008 20 10 EECDRN CCOc1cccc(CN2CCN(C(=O)c3cccnc3)CC2)c1O ZINC000179492943 464145603 /nfs/dbraw/zinc/14/56/03/464145603.db2.gz LKLBUGFLQFJGEO-UHFFFAOYSA-N 0 0 341.411 2.144 20 10 EECDRN COc1ccc(N2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)cc1 ZINC000179725724 464178807 /nfs/dbraw/zinc/17/88/07/464178807.db2.gz BOFGDPSYWJFDBX-LJQANCHMSA-N 0 0 340.423 2.468 20 10 EECDRN Cc1cccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1O ZINC000280031958 464181433 /nfs/dbraw/zinc/18/14/33/464181433.db2.gz WBWOEIFSMLAOCY-WMZOPIPTSA-N 0 0 346.450 2.479 20 10 EECDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000280162585 464191055 /nfs/dbraw/zinc/19/10/55/464191055.db2.gz GKMOBZHVHJEZLE-RDJZCZTQSA-N 0 0 344.455 2.487 20 10 EECDRN COc1ccc(N2CCN(C(=O)NOC/C=C/Cl)CC2)cc1F ZINC000292487854 464249747 /nfs/dbraw/zinc/24/97/47/464249747.db2.gz QKKPCNOQZZZTCH-GORDUTHDSA-N 0 0 343.786 2.350 20 10 EECDRN CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000237049300 464255889 /nfs/dbraw/zinc/25/58/89/464255889.db2.gz NEAIRMCVGKLYNT-SFHVURJKSA-N 0 0 337.423 2.465 20 10 EECDRN CCN(CC)c1ccc(CNC(=O)[C@H](O)CCSC)cc1F ZINC000270859269 464268143 /nfs/dbraw/zinc/26/81/43/464268143.db2.gz ZMUKPUITSQMZQD-OAHLLOKOSA-N 0 0 328.453 2.402 20 10 EECDRN CS(=O)(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271028324 464276874 /nfs/dbraw/zinc/27/68/74/464276874.db2.gz GERWLNNTANCHQO-UHFFFAOYSA-N 0 0 346.452 2.136 20 10 EECDRN COc1cc(O)c(CN(C)Cc2ncc(Cl)n2C)cc1OC ZINC000180290947 464281967 /nfs/dbraw/zinc/28/19/67/464281967.db2.gz VXGQXGLMYBXUIS-UHFFFAOYSA-N 0 0 325.796 2.428 20 10 EECDRN CN(C)c1ccc(CNC(=O)NC[C@H](O)Cc2ccccc2)cc1 ZINC000264179555 464288183 /nfs/dbraw/zinc/28/81/83/464288183.db2.gz AKDRZLBEFQWWLH-GOSISDBHSA-N 0 0 327.428 2.155 20 10 EECDRN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000284730205 464313956 /nfs/dbraw/zinc/31/39/56/464313956.db2.gz DDYGCJVLBVWLSK-DLBZAZTESA-N 0 0 328.412 2.316 20 10 EECDRN COC[C@@H](C)SCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000173880630 464324406 /nfs/dbraw/zinc/32/44/06/464324406.db2.gz BKEMRCRRELMXOG-CQSZACIVSA-N 0 0 338.473 2.112 20 10 EECDRN COCCCOCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000271804383 464384394 /nfs/dbraw/zinc/38/43/94/464384394.db2.gz JRTXSCRXXYPYMC-UHFFFAOYSA-N 0 0 340.383 2.388 20 10 EECDRN CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)C3CC3)cc2)CC1 ZINC000264587533 464384699 /nfs/dbraw/zinc/38/46/99/464384699.db2.gz ZOCMWRDUPRHDJW-GOSISDBHSA-N 0 0 331.460 2.493 20 10 EECDRN CO[C@](C)(CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000293140404 464388950 /nfs/dbraw/zinc/38/89/50/464388950.db2.gz FKLPGRIHFZCMFC-URZUPRTMSA-N 0 0 344.455 2.468 20 10 EECDRN Nc1ccc(CC(=O)N2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000237885532 464395876 /nfs/dbraw/zinc/39/58/76/464395876.db2.gz VVPREQWLWBPISV-UHFFFAOYSA-N 0 0 329.444 2.062 20 10 EECDRN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC000293750577 464420276 /nfs/dbraw/zinc/42/02/76/464420276.db2.gz KHEQAHWUFRRFPN-YOEHRIQHSA-N 0 0 346.452 2.400 20 10 EECDRN 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/nfs/dbraw/zinc/38/94/68/1334389468.db2.gz DRKPCXPUMKCZFM-OAHLLOKOSA-N 0 0 329.444 2.326 20 10 EECDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccccn1)C1CC1 ZINC001336243208 1336506135 /nfs/dbraw/zinc/50/61/35/1336506135.db2.gz WLMDZFMGGULEOD-QGZVFWFLSA-N 0 0 339.395 2.013 20 10 EECDRN COCCn1cc(NC(=O)N[C@H](C)c2ccccc2O)ccc1=O ZINC001336775032 1336593265 /nfs/dbraw/zinc/59/32/65/1336593265.db2.gz JKVRNHNUKJHAAI-GFCCVEGCSA-N 0 0 331.372 2.083 20 10 EECDRN C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(C(=O)[O-])ccc1O ZINC001609777062 1352083088 /nfs/dbraw/zinc/08/30/88/1352083088.db2.gz KPXBCKWJMKGTFR-ONGXEEELSA-N 0 0 332.322 2.378 20 10 EECDRN CN(Cc1ccccc1O)c1nnc(-c2ccnn2C)n1CC1CC1 ZINC001345271488 1337433946 /nfs/dbraw/zinc/43/39/46/1337433946.db2.gz YQBFOUKLWIAODT-UHFFFAOYSA-N 0 0 338.415 2.431 20 10 EECDRN CCOc1ccc(N2CC[NH+](C[C@H]3CC(C(=O)[O-])=C(C)O3)CC2)cc1 ZINC001610041644 1352148101 /nfs/dbraw/zinc/14/81/01/1352148101.db2.gz ALHBPZGQPLECPO-QGZVFWFLSA-N 0 0 346.427 2.355 20 10 EECDRN COC1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cc2)CC1 ZINC001610238897 1352192669 /nfs/dbraw/zinc/19/26/69/1352192669.db2.gz AMPXSBDPUVFXAA-PIIMJCKOSA-N 0 0 330.428 2.064 20 10 EECDRN Cn1nccc1[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355343864 1338709267 /nfs/dbraw/zinc/70/92/67/1338709267.db2.gz FENJRGPWAUONNR-LLVKDONJSA-N 0 0 344.444 2.367 20 10 EECDRN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)NCCc1ccc(N)cc1)O2 ZINC001576902960 1344074067 /nfs/dbraw/zinc/07/40/67/1344074067.db2.gz DROHUJVPBKLPIW-MCPREKNCSA-N 0 0 347.459 2.083 20 10 EECDRN CN(C(=O)Nc1ccc2c(c1F)CCNC2=O)c1ccc(N)cc1 ZINC001578383880 1344270969 /nfs/dbraw/zinc/27/09/69/1344270969.db2.gz OACPMMZAJZOBAI-UHFFFAOYSA-N 0 0 328.347 2.362 20 10 EECDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC001581209791 1344597252 /nfs/dbraw/zinc/59/72/52/1344597252.db2.gz VLOWSUMOWGRRNO-UHFFFAOYSA-N 0 0 342.334 2.342 20 10 EECDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589961105 1349082390 /nfs/dbraw/zinc/08/23/90/1349082390.db2.gz AGTFJBVHRCDLSQ-WBIUFABUSA-N 0 0 329.404 2.181 20 10 EECDRN CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590462730 1349338804 /nfs/dbraw/zinc/33/88/04/1349338804.db2.gz RZEYOSDNLJYBJN-SWLSCSKDSA-N 0 0 332.452 2.343 20 10 EECDRN CC[C@@H]([NH2+]Cc1c(C)noc1C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590466004 1349341055 /nfs/dbraw/zinc/34/10/55/1349341055.db2.gz JCADLDFROMPVSX-CQSZACIVSA-N 0 0 328.376 2.418 20 10 EECDRN O=C(N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C1=CC(=O)CS1 ZINC001592984000 1349731573 /nfs/dbraw/zinc/73/15/73/1349731573.db2.gz NMSBQAXWIUQCPT-ZDUSSCGKSA-N 0 0 341.396 2.441 20 10 EECDRN O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCc1c(O)cccc1F ZINC001593476109 1349809921 /nfs/dbraw/zinc/80/99/21/1349809921.db2.gz VMUYJGWRWHELSJ-UHFFFAOYSA-N 0 0 330.279 2.232 20 10 EECDRN OC1CCN(c2ccc(C=Cc3ccncc3-c3nn[nH]n3)cc2)CC1 ZINC001593519930 1349829558 /nfs/dbraw/zinc/82/95/58/1349829558.db2.gz RBCCLCNPXBJCKV-DAFODLJHSA-N 0 0 348.410 2.393 20 10 EECDRN CN(C)c1cc(F)c(C[NH2+][C@@]2(CC(=O)[O-])CCCOC2)cc1F ZINC001606049668 1351266212 /nfs/dbraw/zinc/26/62/12/1351266212.db2.gz CXNQTRCMXARWQN-MRXNPFEDSA-N 0 0 328.359 2.144 20 10 EECDRN Cc1cc(CNC(=O)N=c2nc[nH]n2C)c(C)n1-c1cccc(C)c1 ZINC000860808850 1369479015 /nfs/dbraw/zinc/47/90/15/1369479015.db2.gz GCIIGFPPVYZRCM-UHFFFAOYSA-N 0 0 338.415 2.275 20 10 EECDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C2CC2)nn1 ZINC000862001957 1369519470 /nfs/dbraw/zinc/51/94/70/1369519470.db2.gz HWDUDIOYJWMTIH-ZDUSSCGKSA-N 0 0 327.432 2.348 20 10 EECDRN CN1C[C@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1=O ZINC000862427706 1369535483 /nfs/dbraw/zinc/53/54/83/1369535483.db2.gz DBBZAKGWFYOFHQ-LLVKDONJSA-N 0 0 327.768 2.006 20 10 EECDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=CCCCC1 ZINC000783564246 1371359962 /nfs/dbraw/zinc/35/99/62/1371359962.db2.gz FPMXMDLWAHWKEN-UHFFFAOYSA-N 0 0 348.468 2.038 20 10 EECDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001118150712 1371777888 /nfs/dbraw/zinc/77/78/88/1371777888.db2.gz GPLRKCUCYWFBJV-GJZGRUSLSA-N 0 0 335.423 2.074 20 10 EECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCS[C@@H]1C ZINC001118233809 1371779944 /nfs/dbraw/zinc/77/99/44/1371779944.db2.gz CHKJXSSRVRHWSF-CZUORRHYSA-N 0 0 349.500 2.111 20 10 EECDRN CS[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001118364157 1371781632 /nfs/dbraw/zinc/78/16/32/1371781632.db2.gz ZQTYJKYHNAGOFN-UKRRQHHQSA-N 0 0 336.457 2.141 20 10 EECDRN CCCn1nccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000829869244 1372294198 /nfs/dbraw/zinc/29/41/98/1372294198.db2.gz LPMICJLEWAVCCO-UHFFFAOYSA-N 0 0 346.406 2.403 20 10 EECDRN COc1cccc(CNC(=O)[C@H](Oc2ccccc2)C(C)(C)O)c1O ZINC000830540821 1372334377 /nfs/dbraw/zinc/33/43/77/1372334377.db2.gz NXCCITXPHAIPFT-KRWDZBQOSA-N 0 0 345.395 2.236 20 10 EECDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000834741993 1372563964 /nfs/dbraw/zinc/56/39/64/1372563964.db2.gz UXGHHNQUXYGSND-KOMQPUFPSA-N 0 0 326.396 2.407 20 10 EECDRN COc1ccc(N2CCN(CCNC(=O)[C@H](C)C3CCC3)CC2)cc1 ZINC000837374046 1372782980 /nfs/dbraw/zinc/78/29/80/1372782980.db2.gz OAZZJXSJCLHVPC-MRXNPFEDSA-N 0 0 345.487 2.370 20 10 EECDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC[C@H](F)C1 ZINC000838739345 1372861284 /nfs/dbraw/zinc/86/12/84/1372861284.db2.gz KIHLRNIVFHIWNU-LBPRGKRZSA-N 0 0 343.349 2.055 20 10 EECDRN CCCN1C[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)CC1=O ZINC000839546598 1372909941 /nfs/dbraw/zinc/90/99/41/1372909941.db2.gz AHMDYLVEWGBQLN-INIZCTEOSA-N 0 0 331.460 2.408 20 10 EECDRN CCc1cccc(CN2CCN(C(=O)c3cccnc3)CC2)c1O ZINC000848877983 1373191121 /nfs/dbraw/zinc/19/11/21/1373191121.db2.gz WUYQUPOIFKIBQA-UHFFFAOYSA-N 0 0 325.412 2.308 20 10 EECDRN COc1cccc(NC(=S)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC001591641614 1403935886 /nfs/dbraw/zinc/93/58/86/1403935886.db2.gz LHGHELDEOFIEDL-UHFFFAOYSA-N 0 0 341.400 2.189 20 10 EECDRN O=C(NCCC1=CCN(c2ncnc3c2CCC3)CC1)[C@H]1CC12CC2 ZINC001089863934 782350745 /nfs/dbraw/zinc/35/07/45/782350745.db2.gz KQYQDWGRUBXMCQ-MRXNPFEDSA-N 0 0 338.455 2.408 20 10 EECDRN CN(c1cnn(C(C)(C)C)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001212571504 790296497 /nfs/dbraw/zinc/29/64/97/790296497.db2.gz WRBNVPXIUKVMLR-UHFFFAOYSA-N 0 0 336.461 2.229 20 10 EECDRN CCn1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000843536842 757037105 /nfs/dbraw/zinc/03/71/05/757037105.db2.gz KCQNBAZSSHCLEB-CQSZACIVSA-N 0 0 328.416 2.231 20 10 EECDRN Fc1cc(CN2CCCC3(C2)OCCO3)ccc1N1CCOCC1 ZINC000780893512 761267127 /nfs/dbraw/zinc/26/71/27/761267127.db2.gz ZWRUAZZOFYQYCM-UHFFFAOYSA-N 0 0 336.407 2.001 20 10 EECDRN O=C(NCCCSc1nccs1)N1CC[C@@]2(CCOC2)C1 ZINC000154608414 768816880 /nfs/dbraw/zinc/81/68/80/768816880.db2.gz IOFAIELALLQBKT-CQSZACIVSA-N 0 0 327.475 2.447 20 10 EECDRN O=C(NCCCSc1nccs1)NC[C@@H]1CCCC[C@H]1O ZINC000154666243 768971485 /nfs/dbraw/zinc/97/14/85/768971485.db2.gz VFUYUOIIDIXWAO-NWDGAFQWSA-N 0 0 329.491 2.476 20 10 EECDRN COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c(OC)c1 ZINC000918444715 769098064 /nfs/dbraw/zinc/09/80/64/769098064.db2.gz UZCQTJYXGNBVBN-UHFFFAOYSA-N 0 0 344.367 2.007 20 10 EECDRN COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@H]3C)CC2)cc1 ZINC000920041900 770519655 /nfs/dbraw/zinc/51/96/55/770519655.db2.gz RTOGHGMXHTXPKG-MRXNPFEDSA-N 0 0 346.475 2.011 20 10 EECDRN COCCNC(=O)C1([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000840823891 783021228 /nfs/dbraw/zinc/02/12/28/783021228.db2.gz GYYOQZHRSMJUIZ-SNVBAGLBSA-N 0 0 346.349 2.357 20 10 EECDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](CCO)c1ccccc1 ZINC000181178546 775643042 /nfs/dbraw/zinc/64/30/42/775643042.db2.gz PFWOEEURYPZQNQ-MNDMWVCDSA-N 0 0 327.380 2.393 20 10 EECDRN Cc1nc(C)c(C)c(N2CC=C(CCNC(=O)[C@H]3CCCO3)CC2)n1 ZINC001089799227 775816102 /nfs/dbraw/zinc/81/61/02/775816102.db2.gz CYFQHHDMHISQOA-QGZVFWFLSA-N 0 0 344.459 2.224 20 10 EECDRN Cc1cc(C(=O)NCCC2=CCN(c3ccnc(C)n3)CC2)no1 ZINC001089804941 775927255 /nfs/dbraw/zinc/92/72/55/775927255.db2.gz YRCDMITWGRVKSE-UHFFFAOYSA-N 0 0 327.388 2.038 20 10 EECDRN CCO[C@H](CC)C(=O)NCCC1=CCN(c2cnc(F)cn2)CC1 ZINC001089810066 776031823 /nfs/dbraw/zinc/03/18/23/776031823.db2.gz GBGHJNZMVFQYTG-CQSZACIVSA-N 0 0 336.411 2.074 20 10 EECDRN CC(=O)CCCC(=O)NCCC1=CCN(c2nc(C)ncc2C)CC1 ZINC001089813211 776281026 /nfs/dbraw/zinc/28/10/26/776281026.db2.gz MTWTUCHEPRBMBU-UHFFFAOYSA-N 0 0 344.459 2.496 20 10 EECDRN C[C@@H](C(=O)NCCC1=CCN(c2cc(F)ncn2)CC1)n1cccc1 ZINC001089826463 777117032 /nfs/dbraw/zinc/11/70/32/777117032.db2.gz XXICBFHNAIPCSH-AWEZNQCLSA-N 0 0 343.406 2.321 20 10 EECDRN CC[C@H](C)[C@@H](OC)C(=O)NCCC1=CCN(c2ccc(C)nn2)CC1 ZINC001089848623 777998714 /nfs/dbraw/zinc/99/87/14/777998714.db2.gz KCUWPKQMGPNBCP-KBXCAEBGSA-N 0 0 346.475 2.489 20 10 EECDRN C[C@H]1OCC[C@]1(C)C(=O)NCCC1=CCN(c2nccnc2F)CC1 ZINC001089851522 778034615 /nfs/dbraw/zinc/03/46/15/778034615.db2.gz SQKNMSPJVIFGPJ-ACJLOTCBSA-N 0 0 348.422 2.074 20 10 EECDRN O=C(NCCC1=CCN(c2cnc(F)cn2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001089857623 778422027 /nfs/dbraw/zinc/42/20/27/778422027.db2.gz QCTYLSAUEFRQCK-FICVDOATSA-N 0 0 330.407 2.305 20 10 EECDRN COc1ccc(O)c([C@H](C)[NH2+]CC(=O)[N-]OCc2ccccc2)c1 ZINC000182472281 779072002 /nfs/dbraw/zinc/07/20/02/779072002.db2.gz ILVHURWBJPCELG-ZDUSSCGKSA-N 0 0 330.384 2.299 20 10 EECDRN Cn1cc(C(=O)NCc2ccc(O)c(O)c2)c(-c2cccs2)n1 ZINC000182528248 779168198 /nfs/dbraw/zinc/16/81/98/779168198.db2.gz SWPXTEGWGHVIJQ-UHFFFAOYSA-N 0 0 329.381 2.490 20 10 EECDRN Cc1ccc(N2CC=C(CCNC(=O)[C@@H]3CCOC[C@@H]3C)CC2)nn1 ZINC001089860633 780564826 /nfs/dbraw/zinc/56/48/26/780564826.db2.gz IGYNYVXNMPRKKR-WMLDXEAASA-N 0 0 344.459 2.100 20 10 EECDRN CC[C@@H]1CCO[C@@H]1C(=O)NCCC1=CCN(c2nccnc2F)CC1 ZINC001089870569 783276128 /nfs/dbraw/zinc/27/61/28/783276128.db2.gz BKLPAMVFHTZXAD-CABCVRRESA-N 0 0 348.422 2.074 20 10 EECDRN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700299 783289091 /nfs/dbraw/zinc/28/90/91/783289091.db2.gz CCHMZHCWLMEFLF-RISCZKNCSA-N 0 0 328.815 2.480 20 10 EECDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)c1 ZINC000809679931 783302819 /nfs/dbraw/zinc/30/28/19/783302819.db2.gz IAEUNRYBYIWNIN-RDJZCZTQSA-N 0 0 341.363 2.321 20 10 EECDRN COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1C ZINC000816180153 783752787 /nfs/dbraw/zinc/75/27/87/783752787.db2.gz GYFBYEZNYNYHSS-LBPRGKRZSA-N 0 0 329.400 2.369 20 10 EECDRN CC(=O)CCn1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000906258249 783806383 /nfs/dbraw/zinc/80/63/83/783806383.db2.gz RSWRAGQCGRIZJS-UHFFFAOYSA-N 0 0 341.459 2.488 20 10 EECDRN COC(=O)C[C@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCOC1 ZINC000816572043 784133926 /nfs/dbraw/zinc/13/39/26/784133926.db2.gz ZDMLFTPOFRKYKV-OAHLLOKOSA-N 0 0 331.771 2.387 20 10 EECDRN CC[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](CC)O1 ZINC000817281479 784623538 /nfs/dbraw/zinc/62/35/38/784623538.db2.gz WMLOCWAXRCDROP-ROUUACIJSA-N 0 0 333.476 2.258 20 10 EECDRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(O)c1O ZINC000804138930 785261566 /nfs/dbraw/zinc/26/15/66/785261566.db2.gz HYZWECPPAHWSPZ-UHFFFAOYSA-N 0 0 331.353 2.482 20 10 EECDRN CCc1[nH]c(C(=O)NCCc2ccc(N)cc2)c(C)c1C(=O)OC ZINC000818545295 785288740 /nfs/dbraw/zinc/28/87/40/785288740.db2.gz WKAIAELFKSOUCR-UHFFFAOYSA-N 0 0 329.400 2.227 20 10 EECDRN CC1(C)[C@@H]2OCCC[C@H]2[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169176 785443891 /nfs/dbraw/zinc/44/38/91/785443891.db2.gz XWRYSIWBZCOJDF-IAOVAPTHSA-N 0 0 344.411 2.360 20 10 EECDRN CO[C@@](C)([C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O)C1CC1 ZINC000819170186 785445172 /nfs/dbraw/zinc/44/51/72/785445172.db2.gz YAVNCUWEJFYGMH-SGTLLEGYSA-N 0 0 332.400 2.360 20 10 EECDRN C[C@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)c2nccn21 ZINC000819170176 785445353 /nfs/dbraw/zinc/44/53/53/785445353.db2.gz XXPCLMPKNLBJHM-WCQYABFASA-N 0 0 326.356 2.059 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)C3(C(=O)C4CC4)CC3)C2)cc1 ZINC000819588577 785597727 /nfs/dbraw/zinc/59/77/27/785597727.db2.gz YZWPLCKSQTXGGT-CQSZACIVSA-N 0 0 342.439 2.397 20 10 EECDRN COc1ccc(N2CCC(N3C(=O)[C@@H]4C[C@H](F)CN4C3=O)CC2)cc1 ZINC000804158856 785600134 /nfs/dbraw/zinc/60/01/34/785600134.db2.gz CUEGJVMWCAEBRY-LRDDRELGSA-N 0 0 347.390 2.039 20 10 EECDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](OC)C1 ZINC000819698563 785645351 /nfs/dbraw/zinc/64/53/51/785645351.db2.gz NMKRYUGMSNTICF-HOCLYGCPSA-N 0 0 349.427 2.489 20 10 EECDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](OC)[C@@H](C)CC ZINC000819698731 785646823 /nfs/dbraw/zinc/64/68/23/785646823.db2.gz QNKRVXWYFYJGIZ-GUYCJALGSA-N 0 0 337.416 2.345 20 10 EECDRN NC(=O)N=Nc1ccc(C(=O)NC/C=C/CNc2ncccn2)cc1 ZINC001107234089 786549968 /nfs/dbraw/zinc/54/99/68/786549968.db2.gz WSEHOJIXFYTFNC-OWWSYHNESA-N 0 0 339.359 2.037 20 10 EECDRN CCn1nccc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000822373055 787148892 /nfs/dbraw/zinc/14/88/92/787148892.db2.gz WLNZMDCPBTZCQB-UHFFFAOYSA-N 0 0 343.431 2.186 20 10 EECDRN CCOC(=O)CN(Cc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000822511638 787251332 /nfs/dbraw/zinc/25/13/32/787251332.db2.gz KSGCNKPCXSFBJI-UHFFFAOYSA-N 0 0 331.416 2.308 20 10 EECDRN COc1ccc(N2CCCN(C(=O)/C=C\[C@@H]3CCOC3)CC2)cc1 ZINC000822656036 787316567 /nfs/dbraw/zinc/31/65/67/787316567.db2.gz IVEZZOWRXAUBJF-HQOGMNCSSA-N 0 0 330.428 2.327 20 10 EECDRN CC1=NO[C@@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000822689108 787341063 /nfs/dbraw/zinc/34/10/63/787341063.db2.gz XQOPLBTXKNWTGE-IIYDPXPESA-N 0 0 349.406 2.220 20 10 EECDRN CCC(=O)C1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000822790576 787379717 /nfs/dbraw/zinc/37/97/17/787379717.db2.gz DMRSLGQDGJRHBL-CQSZACIVSA-N 0 0 330.428 2.460 20 10 EECDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(N3CCOCC3)C2)cc1 ZINC000911658022 787626538 /nfs/dbraw/zinc/62/65/38/787626538.db2.gz DWMVDHWFMTZIQR-UHFFFAOYSA-N 0 0 339.439 2.251 20 10 EECDRN COc1ccc(N2CCCN(c3nc(N)nc(Cl)c3N)CC2)cc1 ZINC000911740650 787675012 /nfs/dbraw/zinc/67/50/12/787675012.db2.gz NOPSVXOZLZHCMR-UHFFFAOYSA-N 0 0 348.838 2.020 20 10 EECDRN Nc1nc(Cl)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000823295410 787683889 /nfs/dbraw/zinc/68/38/89/787683889.db2.gz IJEVPPFNCQIDBD-UHFFFAOYSA-N 0 0 346.818 2.084 20 10 EECDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(C)C3=O)c2C)cc1 ZINC000150775037 788245672 /nfs/dbraw/zinc/24/56/72/788245672.db2.gz QHBMMUBCWDKEGA-QGZVFWFLSA-N 0 0 341.411 2.063 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@]3(C)CO)C2)cc1 ZINC000824686695 788274431 /nfs/dbraw/zinc/27/44/31/788274431.db2.gz NWRYZYIBSJRHMP-DNVCBOLYSA-N 0 0 347.459 2.078 20 10 EECDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000912672873 788296118 /nfs/dbraw/zinc/29/61/18/788296118.db2.gz HUOQWJPIAJJAOD-HKUYNNGSSA-N 0 0 328.412 2.052 20 10 EECDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCO[C@H]1CCOC1 ZINC000922915001 788330898 /nfs/dbraw/zinc/33/08/98/788330898.db2.gz LWSHKUHQJCMDII-YJBOKZPZSA-N 0 0 349.475 2.097 20 10 EECDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(OC)ccn2)cc1 ZINC000844853312 789428474 /nfs/dbraw/zinc/42/84/74/789428474.db2.gz FJSZHMOQTVIDMZ-UHFFFAOYSA-N 0 0 329.400 2.307 20 10 EECDRN COc1ccc(N(C)CCN(C)C(=O)NO[C@H]2CCCCO2)cc1 ZINC000845120886 789585749 /nfs/dbraw/zinc/58/57/49/789585749.db2.gz GTDXHLDVCBXWHN-INIZCTEOSA-N 0 0 337.420 2.231 20 10 EECDRN CCC(O)(CC)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000057619546 789646849 /nfs/dbraw/zinc/64/68/49/789646849.db2.gz WZAFOSOYFQVJEK-OAHLLOKOSA-N 0 0 349.475 2.435 20 10 EECDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2)cc1F ZINC000057732383 789670755 /nfs/dbraw/zinc/67/07/55/789670755.db2.gz CNLLXJQTSIWJFY-UHFFFAOYSA-N 0 0 333.338 2.286 20 10 EECDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc2c1OCCCO2 ZINC000845833911 789963450 /nfs/dbraw/zinc/96/34/50/789963450.db2.gz QARMOOKPTNHSJE-UHFFFAOYSA-N 0 0 329.352 2.232 20 10 EECDRN COC(=O)[C@H](NCc1cc(OC)ccc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846110316 790053583 /nfs/dbraw/zinc/05/35/83/790053583.db2.gz YAVFFVRXOQLXEH-HACGYAERSA-N 0 0 337.416 2.237 20 10 EECDRN Nc1ccc(CCNS(=O)(=O)c2cccc3c2OCCC3)cc1 ZINC000846228209 790095489 /nfs/dbraw/zinc/09/54/89/790095489.db2.gz KNGBJOKUCKRCRK-UHFFFAOYSA-N 0 0 332.425 2.115 20 10 EECDRN CC[C@H](C)CS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000172083673 791532636 /nfs/dbraw/zinc/53/26/36/791532636.db2.gz AGBYUNRCWQBYHM-AWEZNQCLSA-N 0 0 326.462 2.193 20 10 EECDRN O=C(Nc1[nH]nc2ncc(Br)cc21)c1cccc(O)c1O ZINC001148213169 792244833 /nfs/dbraw/zinc/24/48/33/792244833.db2.gz YZFVARQQFASSLS-UHFFFAOYSA-N 0 0 349.144 2.384 20 10 EECDRN Cc1cc(NC(=O)c2cccc(O)c2O)n(CC2CCOCC2)n1 ZINC001148212308 792245792 /nfs/dbraw/zinc/24/57/92/792245792.db2.gz WWWZJNATZBEDDB-UHFFFAOYSA-N 0 0 331.372 2.282 20 10 EECDRN CN(C(=O)c1cc(O)c(O)c(O)c1)c1ncc(C(F)(F)F)cc1N ZINC001148580556 792567303 /nfs/dbraw/zinc/56/73/03/792567303.db2.gz HGUMSGDMIFWTHF-UHFFFAOYSA-N 0 0 343.261 2.076 20 10 EECDRN COc1cccc2c1SC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148591050 792575658 /nfs/dbraw/zinc/57/56/58/792575658.db2.gz SDQBWJNOBCVZKA-LLVKDONJSA-N 0 0 347.392 2.259 20 10 EECDRN O=C(NC[C@@H]1COCO1)N(Cc1ccco1)Cc1ccccc1O ZINC000923859840 795490648 /nfs/dbraw/zinc/49/06/48/795490648.db2.gz OHFPTXXYCWKJRK-OAHLLOKOSA-N 0 0 332.356 2.070 20 10 EECDRN CNC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715757320 795495292 /nfs/dbraw/zinc/49/52/92/795495292.db2.gz FWUXNZZPJMRMPF-UHFFFAOYSA-N 0 0 345.212 2.252 20 10 EECDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C2CC2)cc1 ZINC000915192682 795708263 /nfs/dbraw/zinc/70/82/63/795708263.db2.gz NGUSZNYVTADXFV-OAHLLOKOSA-N 0 0 344.459 2.034 20 10 EECDRN CC[C@@H](C)OCC[C@@H](C)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001172312308 796952537 /nfs/dbraw/zinc/95/25/37/796952537.db2.gz AKWOIZKEBYGVHS-NFAWXSAZSA-N 0 0 339.432 2.365 20 10 EECDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCn2cncn2)cc1 ZINC000916376496 797601324 /nfs/dbraw/zinc/60/13/24/797601324.db2.gz NVWVDCZLMXPVIL-UHFFFAOYSA-N 0 0 344.463 2.356 20 10 EECDRN CC(=O)Nc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1C ZINC000154005755 797630059 /nfs/dbraw/zinc/63/00/59/797630059.db2.gz QIRPTHBMTFTXGD-UHFFFAOYSA-N 0 0 328.368 2.337 20 10 EECDRN Nc1ccc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC001174800714 797893689 /nfs/dbraw/zinc/89/36/89/797893689.db2.gz JNHRRMFTCVDTAJ-UHFFFAOYSA-N 0 0 333.413 2.033 20 10 EECDRN CNC(=O)c1cc(Nc2cc(Br)c(C)cc2O)ccn1 ZINC001175413632 798098864 /nfs/dbraw/zinc/09/88/64/798098864.db2.gz GQTVWWBVDNWDLX-UHFFFAOYSA-N 0 0 336.189 2.383 20 10 EECDRN CN(c1ccc2nn(C)cc2c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001175620068 798184146 /nfs/dbraw/zinc/18/41/46/798184146.db2.gz WCEXZGXVAYAQGQ-UHFFFAOYSA-N 0 0 330.413 2.122 20 10 EECDRN CC(C)CNC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000917596404 798290703 /nfs/dbraw/zinc/29/07/03/798290703.db2.gz UISBIICWIPJQSK-OAHLLOKOSA-N 0 0 348.516 2.008 20 10 EECDRN O=C(Cc1ncccn1)NCc1cc(Cl)c2cccnc2c1O ZINC001177379543 798894773 /nfs/dbraw/zinc/89/47/73/798894773.db2.gz FWSBWUJSEQNTMH-UHFFFAOYSA-N 0 0 328.759 2.243 20 10 EECDRN COc1ccc(CCNC(=O)CCc2ccc(O)c(O)c2)cc1O ZINC001182155122 801044674 /nfs/dbraw/zinc/04/46/74/801044674.db2.gz CNBMTGWVTUCGMF-UHFFFAOYSA-N 0 0 331.368 2.104 20 10 EECDRN COc1cc(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)cc(O)c1O ZINC001204341328 801178642 /nfs/dbraw/zinc/17/86/42/801178642.db2.gz AAHPQGPRXSEWHE-ZWNOBZJWSA-N 0 0 335.322 2.384 20 10 EECDRN CC(=O)N1CCCC[C@H]1CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001184129206 801883331 /nfs/dbraw/zinc/88/33/31/801883331.db2.gz SJSLCMBVASYORV-INIZCTEOSA-N 0 0 346.427 2.164 20 10 EECDRN COC(=O)[C@](C)(CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000787302174 807081992 /nfs/dbraw/zinc/08/19/92/807081992.db2.gz HAGMPFLJQUICFH-LJQANCHMSA-N 0 0 342.395 2.322 20 10 EECDRN C/C=C(\CC)C(=O)OCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000789232369 807906352 /nfs/dbraw/zinc/90/63/52/807906352.db2.gz MEXMYRGOUNRDDQ-ONNFQVAWSA-N 0 0 333.344 2.011 20 10 EECDRN O=C(c1c(F)ccc(O)c1O)N1CCN(Cc2ccccc2)CC1 ZINC000789943468 808283615 /nfs/dbraw/zinc/28/36/15/808283615.db2.gz ZXHNPUDBRMTOCJ-UHFFFAOYSA-N 0 0 330.359 2.195 20 10 EECDRN COCCNc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC000790070904 808366535 /nfs/dbraw/zinc/36/65/35/808366535.db2.gz KZSATBLQMQWHSJ-UHFFFAOYSA-N 0 0 334.347 2.225 20 10 EECDRN COc1cc2nc(NC(=O)c3cccc(O)c3O)[nH]c2cc1OC ZINC000790706682 808878357 /nfs/dbraw/zinc/87/83/57/808878357.db2.gz HMBRTAQDZIRINW-UHFFFAOYSA-N 0 0 329.312 2.244 20 10 EECDRN C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[N@@H+]1CC(C)(C)O ZINC000792178441 809639634 /nfs/dbraw/zinc/63/96/34/809639634.db2.gz DOKWPJBQYIEQKH-NSHDSACASA-N 0 0 330.831 2.462 20 10 EECDRN COCCN(CC(=O)OC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792823254 810024587 /nfs/dbraw/zinc/02/45/87/810024587.db2.gz SJGLVPDASVFOJC-UHFFFAOYSA-N 0 0 348.365 2.393 20 10 EECDRN COc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000792843010 810042314 /nfs/dbraw/zinc/04/23/14/810042314.db2.gz XUZRUYFLXCCWPR-UHFFFAOYSA-N 0 0 345.355 2.351 20 10 EECDRN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000793944755 810616489 /nfs/dbraw/zinc/61/64/89/810616489.db2.gz UNGPOMWNTOITJV-ZIAGYGMSSA-N 0 0 349.450 2.450 20 10 EECDRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)c(O)c1 ZINC000794381434 810808153 /nfs/dbraw/zinc/80/81/53/810808153.db2.gz NRIMHJGXJXZZCK-UHFFFAOYSA-N 0 0 332.312 2.248 20 10 EECDRN COc1ccc(CNC(=O)CCc2nc(-c3ccco3)no2)c(O)c1 ZINC000794382311 810808301 /nfs/dbraw/zinc/80/83/01/810808301.db2.gz VEBIKDLRUGTUKI-UHFFFAOYSA-N 0 0 343.339 2.293 20 10 EECDRN COc1ccc(CNC(=O)COCCOc2ccccc2)c(O)c1 ZINC000794390162 810812870 /nfs/dbraw/zinc/81/28/70/810812870.db2.gz ZHNRUOZFBMWSGX-UHFFFAOYSA-N 0 0 331.368 2.113 20 10 EECDRN COc1ccc(CNC(=O)[C@@H](O)Cc2ccccc2Cl)c(O)c1 ZINC000794390560 810814635 /nfs/dbraw/zinc/81/46/35/810814635.db2.gz LNQCKHUQQBLFES-INIZCTEOSA-N 0 0 335.787 2.274 20 10 EECDRN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC000806530352 811912848 /nfs/dbraw/zinc/91/28/48/811912848.db2.gz IXFFHXHMGIBLGV-OLZOCXBDSA-N 0 0 328.416 2.135 20 10 EECDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000806922246 812022433 /nfs/dbraw/zinc/02/24/33/812022433.db2.gz YMFSRHJGJIEZPM-CQSZACIVSA-N 0 0 336.457 2.143 20 10 EECDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000807103607 812098939 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CCCC[C@H](NC(N)=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554525 679107795 /nfs/dbraw/zinc/10/77/95/679107795.db2.gz CMIPBXPIEABQKE-YOEHRIQHSA-N 0 0 348.491 2.335 20 10 EECDRN Cc1cncc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000177257508 681212459 /nfs/dbraw/zinc/21/24/59/681212459.db2.gz PLRQWHSODSDVQV-UHFFFAOYSA-N 0 0 336.395 2.021 20 10 EECDRN Cc1cc(C(=O)N(C)CC(=O)N(C)C)c(C)n1-c1ccc(F)cc1 ZINC000126522232 682459837 /nfs/dbraw/zinc/45/98/37/682459837.db2.gz CAEWUFUWTGVJOX-UHFFFAOYSA-N 0 0 331.391 2.393 20 10 EECDRN C[N@@H+]1C[C@@H]2CCN(Cc3cc(Br)cc(F)c3[O-])[C@@H]2C1 ZINC000894843799 683182856 /nfs/dbraw/zinc/18/28/56/683182856.db2.gz YSBDQQZCWSXKPK-TVQRCGJNSA-N 0 0 329.213 2.430 20 10 EECDRN COCCn1ccc(NC(=O)NCCCSc2nccs2)n1 ZINC000153204136 683844805 /nfs/dbraw/zinc/84/48/05/683844805.db2.gz AXDOGCGOMOIBMO-UHFFFAOYSA-N 0 0 341.462 2.290 20 10 EECDRN COC(=O)CC(C)(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000182233289 684172445 /nfs/dbraw/zinc/17/24/45/684172445.db2.gz 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CCc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(=O)[nH]1 ZINC000778249134 1207980112 /nfs/dbraw/zinc/98/01/12/1207980112.db2.gz YYAXOOUGIJJOLT-UHFFFAOYSA-N 0 0 341.411 2.116 20 10 EECDRN C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCOc2ccccc21 ZINC000934938816 1208061701 /nfs/dbraw/zinc/06/17/01/1208061701.db2.gz KNLXIFIJBTUVJE-IBGZPJMESA-N 0 0 327.380 2.497 20 10 EECDRN Cn1cnc(/C=C\C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000935033827 1208082240 /nfs/dbraw/zinc/08/22/40/1208082240.db2.gz HPUSPRXZKBQZIO-JJEJIETFSA-N 0 0 341.411 2.347 20 10 EECDRN COCc1ccccc1S(=O)(=O)NCc1cccc(OC)c1O ZINC000778628355 1208309211 /nfs/dbraw/zinc/30/92/11/1208309211.db2.gz XDUGVBJEPCVPMS-UHFFFAOYSA-N 0 0 337.397 2.026 20 10 EECDRN CN(Cc1ccccc1O)S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000159624520 1208486258 /nfs/dbraw/zinc/48/62/58/1208486258.db2.gz WYDKQAMUJWJEBU-UHFFFAOYSA-N 0 0 343.408 2.399 20 10 EECDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](C)[C@H]3CO)CC2)cc1 ZINC000190480091 1209893420 /nfs/dbraw/zinc/89/34/20/1209893420.db2.gz 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COc1ccc(N2CCC(NC(=O)N[C@@]3(C)CCOC3)CC2)cc1 ZINC000124036996 1198131706 /nfs/dbraw/zinc/13/17/06/1198131706.db2.gz DUWNIDPUUWSMLX-SFHVURJKSA-N 0 0 333.432 2.142 20 10 EECDRN O=C1CC2(COC2)CN1CN1CCCc2cc(OC(F)F)ccc21 ZINC000872595725 1198270444 /nfs/dbraw/zinc/27/04/44/1198270444.db2.gz PJRQYUYZTFNFMC-UHFFFAOYSA-N 0 0 338.354 2.247 20 10 EECDRN CC[C@]1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCNC1=O ZINC000865603647 1198294337 /nfs/dbraw/zinc/29/43/37/1198294337.db2.gz KHALYVGWYOZONT-FQEVSTJZSA-N 0 0 343.471 2.455 20 10 EECDRN CC(C)CN1N=C(C(=O)NCc2ccc(N(C)C)cc2)CCC1=O ZINC000124622625 1198675460 /nfs/dbraw/zinc/67/54/60/1198675460.db2.gz QIRXTRWLHJTDRZ-UHFFFAOYSA-N 0 0 330.432 2.003 20 10 EECDRN COC(=O)CC[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000874531444 1198916322 /nfs/dbraw/zinc/91/63/22/1198916322.db2.gz CQRNISKNRPPJSQ-LHRNQBEKSA-N 0 0 333.384 2.303 20 10 EECDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000875050611 1199122114 /nfs/dbraw/zinc/12/21/14/1199122114.db2.gz 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O[C@H](CNc1ccccc1OC[C@H]1CCCCO1)Cn1cccn1 ZINC000819426225 785557467 /nfs/dbraw/zinc/55/74/67/785557467.db2.gz MARJXMROIPHCHO-HZPDHXFCSA-N 0 0 331.416 2.304 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)c3cnc(C)nc3C)C2)cc1 ZINC000819587389 785596844 /nfs/dbraw/zinc/59/68/44/785596844.db2.gz YRKZULNUNRPCJF-OAHLLOKOSA-N 0 0 340.427 2.358 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@]34CCOC4)C2)cc1 ZINC000819587665 785598222 /nfs/dbraw/zinc/59/82/22/785598222.db2.gz GLLJPNIMNFLPFJ-DKSSEZFCSA-N 0 0 330.428 2.064 20 10 EECDRN CN(CCCF)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000910535116 786853541 /nfs/dbraw/zinc/85/35/41/786853541.db2.gz MLCYRJCNVARJTQ-UHFFFAOYSA-N 0 0 348.374 2.332 20 10 EECDRN CN(C)c1ccc(CNC(=O)C(=O)NCCC2CCCCC2)cc1 ZINC000785428363 786895271 /nfs/dbraw/zinc/89/52/71/786895271.db2.gz KIJHGMNICXMYTL-UHFFFAOYSA-N 0 0 331.460 2.455 20 10 EECDRN COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1C(N)=O ZINC000822004068 786998355 /nfs/dbraw/zinc/99/83/55/786998355.db2.gz UXLJOCIELGDWQA-UHFFFAOYSA-N 0 0 339.395 2.185 20 10 EECDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1[O-] ZINC000822503289 787246662 /nfs/dbraw/zinc/24/66/62/787246662.db2.gz FFMAKWTWUOXSFG-LBPRGKRZSA-N 0 0 337.767 2.382 20 10 EECDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCc3nn[nH]c32)cc1 ZINC000822607680 787285700 /nfs/dbraw/zinc/28/57/00/787285700.db2.gz LSFLNGMEIGVMCW-OAHLLOKOSA-N 0 0 327.432 2.387 20 10 EECDRN C[C@H]1CN(c2ccc(CNC(=O)c3ncc[nH]3)cc2F)C[C@H](C)O1 ZINC000822687445 787340699 /nfs/dbraw/zinc/34/06/99/787340699.db2.gz BOOUEJQFZDXLSH-RYUDHWBXSA-N 0 0 332.379 2.092 20 10 EECDRN CCn1nc(C)c(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000823482788 787773993 /nfs/dbraw/zinc/77/39/93/787773993.db2.gz YEUSNFJIUDFGMJ-GFCCVEGCSA-N 0 0 330.436 2.233 20 10 EECDRN CN(CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823552635 787818076 /nfs/dbraw/zinc/81/80/76/787818076.db2.gz DGZHSIUPEOIMSF-UHFFFAOYSA-N 0 0 327.375 2.054 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H](OC)C3CC3)C2)cc1 ZINC000823650266 787852732 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790159845 /nfs/dbraw/zinc/15/98/45/790159845.db2.gz NZPXYWONIWDRTE-QGZVFWFLSA-N 0 0 348.443 2.133 20 10 EECDRN COCCOc1cncc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000846475278 790193298 /nfs/dbraw/zinc/19/32/98/790193298.db2.gz BMNIPCOAKVFEQZ-UHFFFAOYSA-N 0 0 336.775 2.396 20 10 EECDRN Cc1nc2c(F)cccc2cc1NC(=O)CN1C(=O)CSC1=S ZINC001144841819 790201758 /nfs/dbraw/zinc/20/17/58/790201758.db2.gz WKOFBNWGPQSNOX-UHFFFAOYSA-N 0 0 349.412 2.481 20 10 EECDRN CC(C)(C)c1ccc(O)c(NC(=O)CN2C(=O)CSC2=S)c1 ZINC001144846950 790206564 /nfs/dbraw/zinc/20/65/64/790206564.db2.gz BCPQTQVQILSTSZ-UHFFFAOYSA-N 0 0 338.454 2.489 20 10 EECDRN C[C@@H]1CS(=O)(=O)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000172612352 791737754 /nfs/dbraw/zinc/73/77/54/791737754.db2.gz UWYABAODPUDLPQ-LLVKDONJSA-N 0 0 327.446 2.014 20 10 EECDRN CN(C)C(=O)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000073501727 791792626 /nfs/dbraw/zinc/79/26/26/791792626.db2.gz VDNWCWWKMOHKTF-UHFFFAOYSA-N 0 0 333.432 2.325 20 10 EECDRN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@H](C)C1 ZINC001147893905 792013271 /nfs/dbraw/zinc/01/32/71/792013271.db2.gz UJNCMSRGSIWPNY-ZBFHGGJFSA-N 0 0 342.443 2.014 20 10 EECDRN CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)N(C)C)CCC2 ZINC001143041906 792261534 /nfs/dbraw/zinc/26/15/34/792261534.db2.gz JAOTWZRCHKEIOD-UHFFFAOYSA-N 0 0 338.429 2.220 20 10 EECDRN O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cc(O)c(O)c(O)c1 ZINC001148581729 792566622 /nfs/dbraw/zinc/56/66/22/792566622.db2.gz TWZSXCMRBHVLDW-UHFFFAOYSA-N 0 0 339.307 2.218 20 10 EECDRN Cn1c(CNC(=O)c2cc(O)c(O)c(O)c2)ccc1C(F)(F)F ZINC001148585855 792571773 /nfs/dbraw/zinc/57/17/73/792571773.db2.gz BAQGYEAWLLUVRJ-UHFFFAOYSA-N 0 0 330.262 2.091 20 10 EECDRN CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785421807 795215509 /nfs/dbraw/zinc/21/55/09/795215509.db2.gz FRQIHVNZGKWTPW-HNNXBMFYSA-N 0 0 331.460 2.408 20 10 EECDRN CC(C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCC1 ZINC000091730263 795567093 /nfs/dbraw/zinc/56/70/93/795567093.db2.gz NOICSYFVTRJUGS-UHFFFAOYSA-N 0 0 326.418 2.167 20 10 EECDRN COc1cc(C(=O)N[C@@H](C)CCNc2cccc(F)n2)cc(OC)n1 ZINC001106646003 796034154 /nfs/dbraw/zinc/03/41/54/796034154.db2.gz OUMXRHJSDLJTNB-NSHDSACASA-N 0 0 348.378 2.253 20 10 EECDRN Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CCSCC2)cc1 ZINC000917084151 798065036 /nfs/dbraw/zinc/06/50/36/798065036.db2.gz UJFNTGFFJHWCAC-UHFFFAOYSA-N 0 0 333.417 2.494 20 10 EECDRN CNC(=O)c1cc(Nc2cc(OC(F)(F)F)ccc2O)ccn1 ZINC001175414438 798098548 /nfs/dbraw/zinc/09/85/48/798098548.db2.gz ANTRGUVUVIIVAU-UHFFFAOYSA-N 0 0 327.262 2.211 20 10 EECDRN CN(c1ccc2c(cnn2C)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175421357 798101412 /nfs/dbraw/zinc/10/14/12/798101412.db2.gz SPCUHWNFSSXWKM-UHFFFAOYSA-N 0 0 344.440 2.164 20 10 EECDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000154434469 798262530 /nfs/dbraw/zinc/26/25/30/798262530.db2.gz ZBENMPPVUFGRPV-UHFFFAOYSA-N 0 0 333.775 2.346 20 10 EECDRN C/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000917832163 798368592 /nfs/dbraw/zinc/36/85/92/798368592.db2.gz LREYIVLEKSJFBW-VWILAXROSA-N 0 0 341.455 2.361 20 10 EECDRN C[C@H](NC(=O)NCCCSc1nccs1)C(=O)NC(C)(C)C ZINC000154574635 798407842 /nfs/dbraw/zinc/40/78/42/798407842.db2.gz AVMZHWWDHKXHKU-JTQLQIEISA-N 0 0 344.506 2.228 20 10 EECDRN CCOC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000922055235 798770715 /nfs/dbraw/zinc/77/07/15/798770715.db2.gz NWONCEXBOKSVLX-DZGCQCFKSA-N 0 0 333.432 2.408 20 10 EECDRN CC[C@H](CO)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001183165906 801512191 /nfs/dbraw/zinc/51/21/91/801512191.db2.gz DMAWGQZANLLIDN-GFCCVEGCSA-N 0 0 346.349 2.252 20 10 EECDRN O=C(Cc1c[nH]c2ccc(F)cc12)NCCc1cc(O)c(O)cc1O ZINC001183357471 801564595 /nfs/dbraw/zinc/56/45/95/801564595.db2.gz XVABZBFUSHWLKI-UHFFFAOYSA-N 0 0 344.342 2.325 20 10 EECDRN COc1cc(CC(=O)C(=O)NCc2c(C)cc(C)cc2O)ccc1O ZINC001184254370 801949833 /nfs/dbraw/zinc/94/98/33/801949833.db2.gz OVZQVVJDEGZUQX-UHFFFAOYSA-N 0 0 343.379 2.151 20 10 EECDRN CC(C)(C)c1ccnc(C(=O)NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001184566440 802074366 /nfs/dbraw/zinc/07/43/66/802074366.db2.gz PJMSYEMUGKJFEB-UHFFFAOYSA-N 0 0 328.368 2.403 20 10 EECDRN O=C(Cc1ccncc1)NCc1ccc(N2CCSCC2)cc1 ZINC000121339432 803682754 /nfs/dbraw/zinc/68/27/54/803682754.db2.gz VLQWKVMMRGTOII-UHFFFAOYSA-N 0 0 327.453 2.494 20 10 EECDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000788296425 807459275 /nfs/dbraw/zinc/45/92/75/807459275.db2.gz NIUGWLYIIDWFTC-CHWSQXEVSA-N 0 0 327.446 2.200 20 10 EECDRN COc1ccc(O)c(CNC(=O)CC2CCC3(CC2)OCCO3)c1 ZINC000788517610 807561823 /nfs/dbraw/zinc/56/18/23/807561823.db2.gz YHEGZXWATSVKDJ-UHFFFAOYSA-N 0 0 335.400 2.340 20 10 EECDRN C[C@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1F ZINC000789985261 808315707 /nfs/dbraw/zinc/31/57/07/808315707.db2.gz BQPBOZOPMKJEMK-INIZCTEOSA-N 0 0 341.285 2.153 20 10 EECDRN CC(C)N(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cn1 ZINC000790214240 808522482 /nfs/dbraw/zinc/52/24/82/808522482.db2.gz IAKGMEHEYPYCJL-UVTDQMKNSA-N 0 0 346.456 2.229 20 10 EECDRN COc1ccc(N2CCN(C(=O)C[C@H]3CCC(=O)[C@H]3C)CC2)cc1 ZINC000792801101 810003273 /nfs/dbraw/zinc/00/32/73/810003273.db2.gz LQHNCZQHINBBKD-LSDHHAIUSA-N 0 0 330.428 2.349 20 10 EECDRN CCOC(=O)c1nn(C)cc1/C=C1\c2cc(C)ccc2N(C)C1=O ZINC000792903589 810059842 /nfs/dbraw/zinc/05/98/42/810059842.db2.gz BUMWYGLRIQLMRQ-NTEUORMPSA-N 0 0 325.368 2.422 20 10 EECDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000793062334 810121938 /nfs/dbraw/zinc/12/19/38/810121938.db2.gz RVIOCZWOXLWLKG-SPYBWZPUSA-N 0 0 347.459 2.403 20 10 EECDRN C[C@H](NC(=O)CCC(=O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000793856333 810565383 /nfs/dbraw/zinc/56/53/83/810565383.db2.gz PKJLDCFKWALKRD-ZDUSSCGKSA-N 0 0 328.416 2.326 20 10 EECDRN COc1ccc(CNC(=O)c2nc(SC)ncc2Cl)c(O)c1 ZINC000794384328 810809021 /nfs/dbraw/zinc/80/90/21/810809021.db2.gz ZWJJWFLEFDLIEL-UHFFFAOYSA-N 0 0 339.804 2.496 20 10 EECDRN COC(=O)Cc1cccc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794388958 810811303 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CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1occc1C)cc2=O ZINC000292122857 528316853 /nfs/dbraw/zinc/31/68/53/528316853.db2.gz HTBDSZFVSJJXPI-UHFFFAOYSA-N 0 0 344.371 2.145 20 10 EECDRN CCCOc1ccc(CN2CCS(=O)(=O)C[C@@H](C)C2)c(O)c1 ZINC000192067281 528663317 /nfs/dbraw/zinc/66/33/17/528663317.db2.gz LOGLEIBUIWVBDB-ZDUSSCGKSA-N 0 0 327.446 2.048 20 10 EECDRN COc1ccc(N2CCCN(C(=O)NCc3cc(C)n[nH]3)CC2)cc1 ZINC000738483498 578016938 /nfs/dbraw/zinc/01/69/38/578016938.db2.gz WZGASRATMDMKKN-UHFFFAOYSA-N 0 0 343.431 2.149 20 10 EECDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(F)c(F)c(F)c1 ZINC000727975031 576464787 /nfs/dbraw/zinc/46/47/87/576464787.db2.gz SFJQDVMRFSIDTQ-YRNVUSSQSA-N 0 0 328.315 2.406 20 10 EECDRN COc1ccc(O)c([C@H](C)NC(=O)CCNC(=O)c2ccsc2)c1 ZINC000728983705 576569623 /nfs/dbraw/zinc/56/96/23/576569623.db2.gz CQHGWTPNORNZRO-NSHDSACASA-N 0 0 348.424 2.460 20 10 EECDRN CCN(CC)c1ccc(CNS(=O)(=O)N(CC)CC)cc1F ZINC000731356515 577095129 /nfs/dbraw/zinc/09/51/29/577095129.db2.gz GYLZUIOGZSWICG-UHFFFAOYSA-N 0 0 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2.464 20 10 EECDRN CN(C)c1ccc(CNC(=O)NCCc2cn3c(n2)SCC3)cc1 ZINC000767220397 577532636 /nfs/dbraw/zinc/53/26/36/577532636.db2.gz FOZLMVBRAXPHTH-UHFFFAOYSA-N 0 0 345.472 2.097 20 10 EECDRN O=[N+]([O-])c1cccc2c1CCN2Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465896 577556595 /nfs/dbraw/zinc/55/65/95/577556595.db2.gz SCQRTIQXNSLKSG-MRXNPFEDSA-N 0 0 328.324 2.289 20 10 EECDRN CCNC(=O)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768914223 577565636 /nfs/dbraw/zinc/56/56/36/577565636.db2.gz DADJZNMBFFCSAY-UHFFFAOYSA-N 0 0 334.420 2.153 20 10 EECDRN CCOc1ccc(O)c(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1 ZINC000769410183 577577281 /nfs/dbraw/zinc/57/72/81/577577281.db2.gz AAZDFBFQAASMHL-RDJZCZTQSA-N 0 0 339.457 2.333 20 10 EECDRN COCC[C@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CCOC1 ZINC000770681059 577601627 /nfs/dbraw/zinc/60/16/27/577601627.db2.gz GYPMMVQUVAXLNL-IBGZPJMESA-N 0 0 345.443 2.058 20 10 EECDRN C[C@H](C1CC1)N(C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000759595919 577646200 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331.391 2.375 20 10 EECDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cccc(C)c2O)cn1 ZINC000754155506 577801290 /nfs/dbraw/zinc/80/12/90/577801290.db2.gz XKLUFGXFMUSKTJ-MWTRTKDXSA-N 0 0 333.457 2.223 20 10 EECDRN COC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000754161602 577801480 /nfs/dbraw/zinc/80/14/80/577801480.db2.gz IVSKLRYCVLDTBH-UHFFFAOYSA-N 0 0 332.444 2.441 20 10 EECDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1 ZINC000756605089 577847394 /nfs/dbraw/zinc/84/73/94/577847394.db2.gz QLJQVEPWLNGROM-KBPBESRZSA-N 0 0 337.416 2.273 20 10 EECDRN CC(C)(C)C(=O)NCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742475805 577873196 /nfs/dbraw/zinc/87/31/96/577873196.db2.gz NVEYMNNKJDATAM-UHFFFAOYSA-N 0 0 331.460 2.455 20 10 EECDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCCC3)cc2)no1 ZINC000742475358 577873215 /nfs/dbraw/zinc/87/32/15/577873215.db2.gz IPVSTCIVUVBBMU-UHFFFAOYSA-N 0 0 342.399 2.228 20 10 EECDRN COc1cccc(CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000743332774 577883185 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ZINC001231427676 1303793858 /nfs/dbraw/zinc/79/38/58/1303793858.db2.gz MNWGOHQHCKUCDC-UHFFFAOYSA-N 0 0 328.368 2.228 20 10 EECDRN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC001231452993 1303801836 /nfs/dbraw/zinc/80/18/36/1303801836.db2.gz ZGUZBGGNOKOMBC-HNNXBMFYSA-N 0 0 332.400 2.067 20 10 EECDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3O)C2)nc1 ZINC001231452536 1303802407 /nfs/dbraw/zinc/80/24/07/1303802407.db2.gz BNMBWMBJSLGXDY-HNNXBMFYSA-N 0 0 328.368 2.447 20 10 EECDRN Cc1cc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3O)CC2)ncn1 ZINC001231453841 1303803765 /nfs/dbraw/zinc/80/37/65/1303803765.db2.gz QRQKCQWNJNMRGA-UHFFFAOYSA-N 0 0 343.383 2.232 20 10 EECDRN COCCN(CCOC)Cc1c(Br)ccc(OC)c1O ZINC001231548537 1303841623 /nfs/dbraw/zinc/84/16/23/1303841623.db2.gz VMARAONAUZTMNR-UHFFFAOYSA-N 0 0 348.237 2.258 20 10 EECDRN COC[C@@H]1CN(Cc2c(Br)ccc(OC)c2O)CCO1 ZINC001231557026 1303844483 /nfs/dbraw/zinc/84/44/83/1303844483.db2.gz NZPWZZWUKHCKDF-JTQLQIEISA-N 0 0 346.221 2.011 20 10 EECDRN CCN1C(=O)CCC12CC[NH+](Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231561805 1303846373 /nfs/dbraw/zinc/84/63/73/1303846373.db2.gz AAJNEUPZSVPGMP-UHFFFAOYSA-N 0 0 332.400 2.067 20 10 EECDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001231563920 1303848114 /nfs/dbraw/zinc/84/81/14/1303848114.db2.gz LWOVBYUCZRNPMG-QFBILLFUSA-N 0 0 347.411 2.250 20 10 EECDRN O=C([O-])c1ccc(O)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC001231565223 1303849171 /nfs/dbraw/zinc/84/91/71/1303849171.db2.gz BQCKRVMXSOYHIF-UHFFFAOYSA-N 0 0 328.368 2.118 20 10 EECDRN COc1cc(CN2CCOC[C@@H]2c2csc(C)n2)c(O)cc1O ZINC001231635232 1303872460 /nfs/dbraw/zinc/87/24/60/1303872460.db2.gz SEXOVUPFLKNYAN-CYBMUJFWSA-N 0 0 336.413 2.445 20 10 EECDRN CCOC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2OC)CCC1=O ZINC001231851623 1303931021 /nfs/dbraw/zinc/93/10/21/1303931021.db2.gz FKDOYAKJMBINHT-MRXNPFEDSA-N 0 0 348.443 2.105 20 10 EECDRN C[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1F ZINC001232193971 1304033766 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Cc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)nn1C ZINC000840952948 1315445520 /nfs/dbraw/zinc/44/55/20/1315445520.db2.gz JRFLDJWUGKVODJ-UHFFFAOYSA-N 0 0 336.386 2.133 20 10 EECDRN Nc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841048956 1315462826 /nfs/dbraw/zinc/46/28/26/1315462826.db2.gz ICGMMUVCRCEKDP-UHFFFAOYSA-N 0 0 339.395 2.108 20 10 EECDRN CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C12CCCC2 ZINC000841053490 1315463868 /nfs/dbraw/zinc/46/38/68/1315463868.db2.gz ZISXACHMMOEQPK-GJZGRUSLSA-N 0 0 331.416 2.061 20 10 EECDRN Cn1cc([C@H](NC(=O)NCCc2ccc(N)cc2)C(F)(F)F)cn1 ZINC000841216445 1315506556 /nfs/dbraw/zinc/50/65/56/1315506556.db2.gz GAWUABYNGHEILG-ZDUSSCGKSA-N 0 0 341.337 2.148 20 10 EECDRN COCC1(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000841568994 1315579274 /nfs/dbraw/zinc/57/92/74/1315579274.db2.gz IGCLKLBMEACAML-AWEZNQCLSA-N 0 0 340.489 2.090 20 10 EECDRN C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000841746041 1315607848 /nfs/dbraw/zinc/60/78/48/1315607848.db2.gz 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CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000945644867 784547689 /nfs/dbraw/zinc/54/76/89/784547689.db2.gz OUGNYVKZAXRVMK-BXUZGUMPSA-N 0 0 345.403 2.226 20 10 EECDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CS[C@@H](C)C2)cc1 ZINC000817707073 784913803 /nfs/dbraw/zinc/91/38/03/784913803.db2.gz SZRJHUHUTQLJHF-ZFWWWQNUSA-N 0 0 349.500 2.159 20 10 EECDRN Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)c(O)c1O ZINC000817695994 784930120 /nfs/dbraw/zinc/93/01/20/784930120.db2.gz MPKYCHGGTGFDGF-HNNXBMFYSA-N 0 0 346.427 2.317 20 10 EECDRN C[C@H](Cc1ccncc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167348 785443080 /nfs/dbraw/zinc/44/30/80/785443080.db2.gz AOUVFZMXMBZHFI-CYBMUJFWSA-N 0 0 325.368 2.183 20 10 EECDRN CCn1nc(C)c(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000819596542 785610513 /nfs/dbraw/zinc/61/05/13/785610513.db2.gz VKQPFIPQMQCBBH-UHFFFAOYSA-N 0 0 338.415 2.339 20 10 EECDRN CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1ccc(O)cc1O ZINC000910952190 787132593 /nfs/dbraw/zinc/13/25/93/787132593.db2.gz RYURIMYHBXWNMA-UHFFFAOYSA-N 0 0 340.379 2.401 20 10 EECDRN COc1ccc(N2CCCN(C(=O)/C=C/[C@H]3CCOC3)CC2)cc1 ZINC000822656037 787317306 /nfs/dbraw/zinc/31/73/06/787317306.db2.gz IVEZZOWRXAUBJF-ICFOYXHFSA-N 0 0 330.428 2.327 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@@]3(C)CCCO3)C2)cc1 ZINC000823274220 787648468 /nfs/dbraw/zinc/64/84/68/787648468.db2.gz CSULESDANSZAHZ-DNVCBOLYSA-N 0 0 347.459 2.390 20 10 EECDRN CCC1(CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)COC1 ZINC000823680780 787887447 /nfs/dbraw/zinc/88/74/47/787887447.db2.gz NDAZDXCATFSTQN-OAHLLOKOSA-N 0 0 347.459 2.247 20 10 EECDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NO[C@H](CO)C(C)C ZINC000824585391 788247205 /nfs/dbraw/zinc/24/72/05/788247205.db2.gz DPXYYIRJZORKQP-WMLDXEAASA-N 0 0 337.464 2.240 20 10 EECDRN CCN(CC(C)(C)O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824688049 788274478 /nfs/dbraw/zinc/27/44/78/788274478.db2.gz VWBOEIRPQUFUGV-OAHLLOKOSA-N 0 0 349.475 2.324 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@]3(C)CCCOC3)C2)cc1 ZINC000824688883 788275491 /nfs/dbraw/zinc/27/54/91/788275491.db2.gz ZUXKGPGAYFUDDM-BEFAXECRSA-N 0 0 347.459 2.390 20 10 EECDRN CC1=NO[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1 ZINC000824781942 788317941 /nfs/dbraw/zinc/31/79/41/788317941.db2.gz COCYEVGHPTWBHA-QZTJIDSGSA-N 0 0 345.443 2.425 20 10 EECDRN COc1ccc(N(C)CC(=O)NC[C@H]2Cc3ccccc3O2)cc1 ZINC000844353203 789036794 /nfs/dbraw/zinc/03/67/94/789036794.db2.gz QUNLEFFWFZKTOO-QGZVFWFLSA-N 0 0 326.396 2.251 20 10 EECDRN CC[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844388996 789058513 /nfs/dbraw/zinc/05/85/13/789058513.db2.gz CDDWQNBJPHKCPD-MAUKXSAKSA-N 0 0 333.476 2.210 20 10 EECDRN Cc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 ZINC000055283523 789106334 /nfs/dbraw/zinc/10/63/34/789106334.db2.gz XEMPMJNQPAGMAN-UHFFFAOYSA-N 0 0 340.426 2.064 20 10 EECDRN CCOC(=O)c1cnn(CN(C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844726219 789330004 /nfs/dbraw/zinc/33/00/04/789330004.db2.gz RUBPMTKJYOUAHQ-UHFFFAOYSA-N 0 0 346.431 2.094 20 10 EECDRN CCOC(=O)C1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC1 ZINC000844855140 789402294 /nfs/dbraw/zinc/40/22/94/789402294.db2.gz QESSRKYFCHZLOX-UHFFFAOYSA-N 0 0 348.443 2.323 20 10 EECDRN COCC[NH+](CCOC)Cc1cc(Br)c(F)cc1[O-] ZINC001144298837 789516588 /nfs/dbraw/zinc/51/65/88/789516588.db2.gz KVBKYIMYZRGNNM-UHFFFAOYSA-N 0 0 336.201 2.389 20 10 EECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000057018098 789536439 /nfs/dbraw/zinc/53/64/39/789536439.db2.gz FXHYALZMRBSEMT-HNNXBMFYSA-N 0 0 346.475 2.295 20 10 EECDRN COc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057732446 789672013 /nfs/dbraw/zinc/67/20/13/789672013.db2.gz FWMVWILRWCOTDO-UHFFFAOYSA-N 0 0 345.374 2.155 20 10 EECDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CC[C@@H](C)O2)cc1 ZINC000845253320 789675060 /nfs/dbraw/zinc/67/50/60/789675060.db2.gz SVRJFJIQKXPMBM-RHSMWYFYSA-N 0 0 335.448 2.340 20 10 EECDRN O=[N+]([O-])c1cnc(NCc2cc(Br)ccc2O)cn1 ZINC001171177564 789742885 /nfs/dbraw/zinc/74/28/85/789742885.db2.gz BVDVSDCUJYIOGH-UHFFFAOYSA-N 0 0 325.122 2.465 20 10 EECDRN CCN(CC)c1ccc(CN(C)C(=O)NCCN2CCCC2=O)cc1 ZINC000845475139 789802602 /nfs/dbraw/zinc/80/26/02/789802602.db2.gz GFBCOACGXGTBEU-UHFFFAOYSA-N 0 0 346.475 2.297 20 10 EECDRN COc1cccc([C@@H](C)Nc2cnn(CC(=O)NC3CC3)c2)c1O ZINC000846161392 790067445 /nfs/dbraw/zinc/06/74/45/790067445.db2.gz CLLTYSBNNXJXQY-LLVKDONJSA-N 0 0 330.388 2.049 20 10 EECDRN O=C(NCc1cc(Cl)ccc1O)C1(n2cnnn2)CCCCC1 ZINC000846478034 790194620 /nfs/dbraw/zinc/19/46/20/790194620.db2.gz YITDVAZXSIFGPD-UHFFFAOYSA-N 0 0 335.795 2.008 20 10 EECDRN Cc1cc(NC(=O)CN2C(=O)CSC2=S)c2ccsc2n1 ZINC001144841287 790201473 /nfs/dbraw/zinc/20/14/73/790201473.db2.gz AQMWUGBHMVADHZ-UHFFFAOYSA-N 0 0 337.451 2.404 20 10 EECDRN Cc1c(C)c(NC(=O)CN2C(=O)CSC2=S)c(C)c(C)c1N ZINC001144847099 790206630 /nfs/dbraw/zinc/20/66/30/790206630.db2.gz HRPZQNOEPLJIBL-UHFFFAOYSA-N 0 0 337.470 2.301 20 10 EECDRN O=C(CN1C(=O)CSC1=S)NC1CCC(C(F)(F)F)CC1 ZINC001144848568 790208198 /nfs/dbraw/zinc/20/81/98/790208198.db2.gz RJRSQNPNKLJEKH-UHFFFAOYSA-N 0 0 340.392 2.084 20 10 EECDRN CC[C@@H](NC(=O)CN1C(=O)CSC1=S)c1ccc(F)c(F)c1 ZINC001144852564 790214442 /nfs/dbraw/zinc/21/44/42/790214442.db2.gz DLDCYISYYQIRHS-LLVKDONJSA-N 0 0 344.408 2.392 20 10 EECDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C)Cn2ccnc2C)c1 ZINC000172073445 791535448 /nfs/dbraw/zinc/53/54/48/791535448.db2.gz KWVMGWGOVYNAFR-GFCCVEGCSA-N 0 0 332.404 2.041 20 10 EECDRN COc1cccc2ncnc(NC(=O)c3cc(O)c(O)c(O)c3)c21 ZINC001148582503 792568298 /nfs/dbraw/zinc/56/82/98/792568298.db2.gz IZODOTUXCIJYPV-UHFFFAOYSA-N 0 0 327.296 2.008 20 10 EECDRN O=C(Nc1ccc(F)cc1N1CCOCC1)c1cc(O)c(O)c(O)c1 ZINC001148586081 792571832 /nfs/dbraw/zinc/57/18/32/792571832.db2.gz IALGOGKVPDRDOP-UHFFFAOYSA-N 0 0 348.330 2.031 20 10 EECDRN COCCNc1cccc(F)c1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148586067 792571921 /nfs/dbraw/zinc/57/19/21/792571921.db2.gz HBQDOWYMXZPMJE-UHFFFAOYSA-N 0 0 336.319 2.253 20 10 EECDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCCO3)CC2)cc1 ZINC000140266272 794980800 /nfs/dbraw/zinc/98/08/00/794980800.db2.gz WKTQZDZHUSDYEI-SFHVURJKSA-N 0 0 347.459 2.486 20 10 EECDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H](CO)CC(F)F ZINC000715744155 795494754 /nfs/dbraw/zinc/49/47/54/795494754.db2.gz GOILDHFTXXDBDR-MRVPVSSYSA-N 0 0 328.128 2.400 20 10 EECDRN Cc1nn(C)c(C)c1CNC(=O)NCCCSc1nccs1 ZINC000154118140 797736684 /nfs/dbraw/zinc/73/66/84/797736684.db2.gz SULZUSQKPWSKMB-UHFFFAOYSA-N 0 0 339.490 2.475 20 10 EECDRN Cc1cc(C(=O)NCCNc2cnccn2)c(C)n1-c1ccccn1 ZINC000917102056 798084615 /nfs/dbraw/zinc/08/46/15/798084615.db2.gz NRRASKBLDNYMOO-UHFFFAOYSA-N 0 0 336.399 2.121 20 10 EECDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1ccc(O)c(O)c1 ZINC000917356495 798186531 /nfs/dbraw/zinc/18/65/31/798186531.db2.gz VYZNAUXWSUYIOT-UHFFFAOYSA-N 0 0 348.380 2.457 20 10 EECDRN O=C1c2ccccc2C(=O)c2c(Nc3cnn(CCO)c3)cccc21 ZINC001176472944 798466696 /nfs/dbraw/zinc/46/66/96/798466696.db2.gz GYUINPZWBKUOAX-UHFFFAOYSA-N 0 0 333.347 2.394 20 10 EECDRN CC(=O)N1CCCC[C@]12CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001179684031 800035999 /nfs/dbraw/zinc/03/59/99/800035999.db2.gz IYRXIIQLLSKYAQ-WSSFADSRSA-N 0 0 344.411 2.115 20 10 EECDRN COCC1(NC(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc2C1 ZINC001179690289 800040326 /nfs/dbraw/zinc/04/03/26/800040326.db2.gz HKAIXVHJBRYYAA-VQHVLOKHSA-N 0 0 339.391 2.411 20 10 EECDRN Cc1cc(C)c(CNC(=O)Cc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC001180008701 800223808 /nfs/dbraw/zinc/22/38/08/800223808.db2.gz VRCFFWMXWVKDGG-UHFFFAOYSA-N 0 0 347.436 2.271 20 10 EECDRN COC1(OC)CC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000824272852 800254862 /nfs/dbraw/zinc/25/48/62/800254862.db2.gz DYEDJDXTYVAMEO-UHFFFAOYSA-N 0 0 329.400 2.370 20 10 EECDRN CN(C)c1ccc(/C=C/C(=O)NC[C@H](O)c2ccc(O)cc2)cc1 ZINC001180129895 800261888 /nfs/dbraw/zinc/26/18/88/800261888.db2.gz LZGYOVHFXITEBA-VRQAPCGNSA-N 0 0 326.396 2.321 20 10 EECDRN Cc1nc(Cl)c(N)c(=N)n1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180122856 800279202 /nfs/dbraw/zinc/27/92/02/800279202.db2.gz HQVFOGCAPRVXNY-RQIUKZNESA-N 0 0 331.807 2.326 20 10 EECDRN CN1CC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)CC1=O ZINC001180637721 800505799 /nfs/dbraw/zinc/50/57/99/800505799.db2.gz QTHDVWDFECIYFC-JTQLQIEISA-N 0 0 347.802 2.078 20 10 EECDRN COc1ccc(CCCC(=O)NCCc2cc(O)c(O)cc2O)cc1 ZINC001181217703 800721834 /nfs/dbraw/zinc/72/18/34/800721834.db2.gz IZZHXMAPDPYVRF-UHFFFAOYSA-N 0 0 345.395 2.494 20 10 EECDRN CN(CC(=O)NCCOc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000121353753 803840616 /nfs/dbraw/zinc/84/06/16/803840616.db2.gz NSYNUGAGUYLDSQ-UHFFFAOYSA-N 0 0 346.358 2.186 20 10 EECDRN CCOC(=O)[C@@H](NCc1ccc(OCC)cc1O)[C@@H]1CCCOC1 ZINC000789578135 808070432 /nfs/dbraw/zinc/07/04/32/808070432.db2.gz AXSNMEZRNBJUBI-PBHICJAKSA-N 0 0 337.416 2.239 20 10 EECDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C(N)=O ZINC000789838666 808217981 /nfs/dbraw/zinc/21/79/81/808217981.db2.gz ZXGVLHHPNCZBQT-LLVKDONJSA-N 0 0 343.383 2.258 20 10 EECDRN CC(=O)Nc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789975427 808307574 /nfs/dbraw/zinc/30/75/74/808307574.db2.gz ZWNPTOIXCWDSRT-UHFFFAOYSA-N 0 0 332.331 2.168 20 10 EECDRN CCOc1c(OC)cc(CNC(=O)c2cccc(O)c2O)cc1OC ZINC000790599140 808824410 /nfs/dbraw/zinc/82/44/10/808824410.db2.gz TWYSUCGIHFQEPD-UHFFFAOYSA-N 0 0 347.367 2.444 20 10 EECDRN COCCN(CCOc1ccc(F)cc1)C(=O)c1cccc(O)c1O ZINC000790668367 808854943 /nfs/dbraw/zinc/85/49/43/808854943.db2.gz LAWLDWXUVGHDEK-UHFFFAOYSA-N 0 0 349.358 2.405 20 10 EECDRN C[C@H](NC(=O)c1csc(=O)[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000792085034 809594238 /nfs/dbraw/zinc/59/42/38/809594238.db2.gz NROXMQRJCRDFOM-NSHDSACASA-N 0 0 333.413 2.176 20 10 EECDRN COC(=O)[C@H](NCc1cc(F)ccc1O)c1ccc(OC)c(O)c1 ZINC000792182179 809641098 /nfs/dbraw/zinc/64/10/98/809641098.db2.gz XTNVGFJTBRCKNZ-MRXNPFEDSA-N 0 0 335.331 2.249 20 10 EECDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(C(N)=O)cc2)cc1 ZINC000792590235 809856472 /nfs/dbraw/zinc/85/64/72/809856472.db2.gz LQRMIRRDWJWKSQ-UHFFFAOYSA-N 0 0 339.439 2.491 20 10 EECDRN CC(C)(C)c1nc2[nH]cnc2c(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001170316497 809887031 /nfs/dbraw/zinc/88/70/31/809887031.db2.gz 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COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c(O)c1 ZINC000366530186 465783504 /nfs/dbraw/zinc/78/35/04/465783504.db2.gz KVJPBMRVIWCQOP-HNNXBMFYSA-N 0 0 340.379 2.167 20 10 EECDRN COc1ccc(N2CCCN(C(=O)CCn3cccn3)CC2)cc1 ZINC000363108173 466222976 /nfs/dbraw/zinc/22/29/76/466222976.db2.gz QNBKFQZROQTVDP-UHFFFAOYSA-N 0 0 328.416 2.021 20 10 EECDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(-n2cncn2)c1 ZINC000367919426 466555544 /nfs/dbraw/zinc/55/55/44/466555544.db2.gz XYFGGMMHLSXCKU-FNORWQNLSA-N 0 0 336.351 2.008 20 10 EECDRN CO[C@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368874262 466703597 /nfs/dbraw/zinc/70/35/97/466703597.db2.gz FDANCUQHVKTAGS-LLVKDONJSA-N 0 0 328.359 2.408 20 10 EECDRN COc1ccc(CNC(=O)c2cncc(-c3cnn(C)c3)c2)c(O)c1 ZINC000370622829 466944007 /nfs/dbraw/zinc/94/40/07/466944007.db2.gz RRJBWEDOTYFOOO-UHFFFAOYSA-N 0 0 338.367 2.126 20 10 EECDRN COc1ccc(CNC(=O)Nc2cccc3c2OCC(=O)N3)c(O)c1 ZINC000377744576 467131662 /nfs/dbraw/zinc/13/16/62/467131662.db2.gz LFGWHBXJMPWMRS-UHFFFAOYSA-N 0 0 343.339 2.053 20 10 EECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000377879705 467158524 /nfs/dbraw/zinc/15/85/24/467158524.db2.gz PLXKMXYMHIPCNT-YTQUADARSA-N 0 0 344.455 2.297 20 10 EECDRN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(OC)c1O ZINC000378335528 467268420 /nfs/dbraw/zinc/26/84/20/467268420.db2.gz LKUVGUICOUTADB-INIZCTEOSA-N 0 0 326.396 2.074 20 10 EECDRN COc1ncc(/C=C/C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cn1 ZINC000492648007 467700161 /nfs/dbraw/zinc/70/01/61/467700161.db2.gz KGZFNCKIVWBUPA-BQYQJAHWSA-N 0 0 340.339 2.386 20 10 EECDRN COc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)cn1 ZINC000492684957 467713809 /nfs/dbraw/zinc/71/38/09/467713809.db2.gz WEXDHRLHLPCIHO-MLRMMBSGSA-N 0 0 329.331 2.452 20 10 EECDRN COc1ccc(N(C)C(=O)/C=C/c2cnc(OC)nc2)c(OC)c1 ZINC000492729234 467729948 /nfs/dbraw/zinc/72/99/48/467729948.db2.gz ASINWFACTTXVHP-VMPITWQZSA-N 0 0 329.356 2.179 20 10 EECDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2C[C@@H](O)C2)CCCC1 ZINC000629075144 469433481 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CCn1cnnc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725845839 576065447 /nfs/dbraw/zinc/06/54/47/576065447.db2.gz JWZPKOHTDALTJR-UHFFFAOYSA-N 0 0 344.419 2.486 20 10 EECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CCO[C@H](C)C1 ZINC000726257490 576251475 /nfs/dbraw/zinc/25/14/75/576251475.db2.gz RKMXIDBQJZLOIG-MRXNPFEDSA-N 0 0 348.491 2.005 20 10 EECDRN Cc1noc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000727230974 576414728 /nfs/dbraw/zinc/41/47/28/576414728.db2.gz UUWUYAXWWYVSKG-UHFFFAOYSA-N 0 0 329.404 2.318 20 10 EECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NC[C@@H]1CCCO1 ZINC000730597104 577045293 /nfs/dbraw/zinc/04/52/93/577045293.db2.gz UWIHVZSRWLFQTG-KRWDZBQOSA-N 0 0 349.500 2.009 20 10 EECDRN C[C@H](NC(=O)NCCOCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000731048246 577076132 /nfs/dbraw/zinc/07/61/32/577076132.db2.gz UQFAKWJCKHEMJD-HNNXBMFYSA-N 0 0 347.459 2.310 20 10 EECDRN O=C(NCCCN(C(=O)C1CCC1)C1CC1)NCc1ccccc1O ZINC000731406810 577099414 /nfs/dbraw/zinc/09/94/14/577099414.db2.gz YIFHLCWLRGIOIA-UHFFFAOYSA-N 0 0 345.443 2.373 20 10 EECDRN CCN(CC)c1ccc(CNC(=O)NCCOC[C@@H]2CCOC2)cc1 ZINC000731682731 577114836 /nfs/dbraw/zinc/11/48/36/577114836.db2.gz TXKWMFFOCRREEI-QGZVFWFLSA-N 0 0 349.475 2.385 20 10 EECDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000732353831 577174798 /nfs/dbraw/zinc/17/47/98/577174798.db2.gz AZEMLVITUSCDMK-MRVPVSSYSA-N 0 0 347.348 2.213 20 10 EECDRN C[C@H](NC(=O)c1ccco1)C(=O)NCCCSc1nccs1 ZINC000733973400 577266602 /nfs/dbraw/zinc/26/66/02/577266602.db2.gz IBSDOPHNIQXAHZ-JTQLQIEISA-N 0 0 339.442 2.153 20 10 EECDRN COc1ccc(O)c(CNC(=O)N[C@H](C)COCC(F)(F)F)c1 ZINC000734068200 577275985 /nfs/dbraw/zinc/27/59/85/577275985.db2.gz WBPXZFWDOYSSIM-SECBINFHSA-N 0 0 336.310 2.167 20 10 EECDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)Nc1ccc(Cl)cn1 ZINC000772773408 577296794 /nfs/dbraw/zinc/29/67/94/577296794.db2.gz CSUXIVZCJLDRJA-KXFIGUGUSA-N 0 0 348.742 2.341 20 10 EECDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCc2ccccc21 ZINC000772775078 577297091 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ZINC000161173878 678267575 /nfs/dbraw/zinc/26/75/75/678267575.db2.gz NXFZUHPEGGOLCW-LBPRGKRZSA-N 0 0 328.434 2.172 20 10 EECDRN C[C@H](NC(=O)NCC[C@H](O)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000892339287 679135505 /nfs/dbraw/zinc/13/55/05/679135505.db2.gz GGROSLUWTYTBJW-KSSFIOAISA-N 0 0 347.459 2.044 20 10 EECDRN Cc1ccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c(O)c1O ZINC000179543806 679935997 /nfs/dbraw/zinc/93/59/97/679935997.db2.gz NXXLEIPIOBXGRZ-UHFFFAOYSA-N 0 0 339.351 2.429 20 10 EECDRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N)cc2)cc1C ZINC000237107353 681309486 /nfs/dbraw/zinc/30/94/86/681309486.db2.gz NVUWTDABBRSARC-UHFFFAOYSA-N 0 0 347.440 2.145 20 10 EECDRN CNC(=O)COc1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000894137565 681662271 /nfs/dbraw/zinc/66/22/71/681662271.db2.gz FDTOUJNKDQGNMB-UHFFFAOYSA-N 0 0 330.384 2.446 20 10 EECDRN NC(=O)Cn1cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)nn1 ZINC000255900061 681955187 /nfs/dbraw/zinc/95/51/87/681955187.db2.gz MUFDERFDZLDLPQ-UHFFFAOYSA-N 0 0 349.354 2.431 20 10 EECDRN CC1(C)C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594729 682989583 /nfs/dbraw/zinc/98/95/83/682989583.db2.gz JUFNMRVHUNKGEG-MRXNPFEDSA-N 0 0 329.444 2.051 20 10 EECDRN CCC[C@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596712 682990154 /nfs/dbraw/zinc/99/01/54/682990154.db2.gz DUUKXJZUMPLWRE-AWEZNQCLSA-N 0 0 331.460 2.441 20 10 EECDRN CC(=O)N1CCC(CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000892842371 683127349 /nfs/dbraw/zinc/12/73/49/683127349.db2.gz PYLQNDHZIAIQCY-UHFFFAOYSA-N 0 0 339.823 2.103 20 10 EECDRN C[C@@H]1COC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000914201084 683355645 /nfs/dbraw/zinc/35/56/45/683355645.db2.gz WMEHFLQICMCLSJ-CJNGLKHVSA-N 0 0 335.473 2.074 20 10 EECDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C3OCCO3)C2)cc1 ZINC000914254423 683432024 /nfs/dbraw/zinc/43/20/24/683432024.db2.gz INURCJCTTZRLPW-INIZCTEOSA-N 0 0 347.459 2.437 20 10 EECDRN CCc1nn(C)c(CC)c1S(=O)(=O)N(C)Cc1ccccc1O ZINC000153373747 683975739 /nfs/dbraw/zinc/97/57/39/683975739.db2.gz ISLYGRQUXCPJOI-UHFFFAOYSA-N 0 0 337.445 2.071 20 10 EECDRN Cc1cc(C(=O)O[C@@H](C)CN2CCOCC2)c(C)n1-c1ccccn1 ZINC000181626787 684125933 /nfs/dbraw/zinc/12/59/33/684125933.db2.gz OVXHJFUSTZOSTG-HNNXBMFYSA-N 0 0 343.427 2.367 20 10 EECDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000896690020 685174920 /nfs/dbraw/zinc/17/49/20/685174920.db2.gz MPSASYMXTJZDPI-UHFFFAOYSA-N 0 0 345.798 2.323 20 10 EECDRN CC[C@@H](C)N1CC[C@@]2(CCCN2C(=O)c2cccc(O)c2O)C1=O ZINC001269685967 1184511241 /nfs/dbraw/zinc/51/12/41/1184511241.db2.gz HZNQUGZSAQTBLT-XIKOKIGWSA-N 0 0 332.400 2.103 20 10 EECDRN Nc1ccc(CCNC(=O)N[C@@H](CCO)Cc2ccccc2)cc1 ZINC000841959737 1188208681 /nfs/dbraw/zinc/20/86/81/1188208681.db2.gz PTCLDXXXUBVLAW-SFHVURJKSA-N 0 0 327.428 2.104 20 10 EECDRN CN(c1ccc(N)c(Cl)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001212112866 1188288292 /nfs/dbraw/zinc/28/82/92/1188288292.db2.gz ROWPIURFSIOVTG-UHFFFAOYSA-N 0 0 325.821 2.471 20 10 EECDRN COc1ccc(CNC(=O)N[C@H]2COCc3ccccc32)c(O)c1 ZINC000842188078 1188561486 /nfs/dbraw/zinc/56/14/86/1188561486.db2.gz CGJRRJBQXGFXSW-INIZCTEOSA-N 0 0 328.368 2.472 20 10 EECDRN CC[C@@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)ccc1O)C2 ZINC001272629567 1190939855 /nfs/dbraw/zinc/93/98/55/1190939855.db2.gz OAJNOPYMVCVGQI-GFCCVEGCSA-N 0 0 338.835 2.257 20 10 EECDRN C[C@@H](NC(=O)N[C@@]1(C)CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000123594111 1197693252 /nfs/dbraw/zinc/69/32/52/1197693252.db2.gz SGSQCJZSFGGTBS-KDOFPFPSSA-N 0 0 333.432 2.062 20 10 EECDRN CCc1ccccc1NC(=O)CNC(=O)CN(C)c1ccc(N)cc1 ZINC000863557047 1197808121 /nfs/dbraw/zinc/80/81/21/1197808121.db2.gz HICGKVHASZAPIL-UHFFFAOYSA-N 0 0 340.427 2.022 20 10 EECDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000863739247 1197846455 /nfs/dbraw/zinc/84/64/55/1197846455.db2.gz JOQKNSLXQXSZTP-HIFRSBDPSA-N 0 0 336.407 2.205 20 10 EECDRN C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000863739249 1197846867 /nfs/dbraw/zinc/84/68/67/1197846867.db2.gz JOQKNSLXQXSZTP-ZFWWWQNUSA-N 0 0 336.407 2.205 20 10 EECDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000863739248 1197847121 /nfs/dbraw/zinc/84/71/21/1197847121.db2.gz JOQKNSLXQXSZTP-UKRRQHHQSA-N 0 0 336.407 2.205 20 10 EECDRN CCC1(O)CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888585716 1197892451 /nfs/dbraw/zinc/89/24/51/1197892451.db2.gz PIDAWOSGRAMLKO-UHFFFAOYSA-N 0 0 337.383 2.385 20 10 EECDRN C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000119696743 1197912074 /nfs/dbraw/zinc/91/20/74/1197912074.db2.gz CZTHQPJTPUUHFP-HNNXBMFYSA-N 0 0 331.460 2.185 20 10 EECDRN CC[C@H](C)N1C[C@@]2(F)CN(Cc3cc(F)ccc3O)C[C@@]2(F)C1=O ZINC001273284167 1197952292 /nfs/dbraw/zinc/95/22/92/1197952292.db2.gz GAHVBXHSPVGXCR-MZPVMMEZSA-N 0 0 342.361 2.404 20 10 EECDRN Cc1cc(C(=O)NC[C@H](O)c2ccncc2)c(C)n1-c1ccccn1 ZINC000120556136 1198207586 /nfs/dbraw/zinc/20/75/86/1198207586.db2.gz ZNGUOCVEYKISNJ-KRWDZBQOSA-N 0 0 336.395 2.348 20 10 EECDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000120651103 1198301562 /nfs/dbraw/zinc/30/15/62/1198301562.db2.gz UNZFIXBBBUPIPT-UHFFFAOYSA-N 0 0 339.317 2.390 20 10 EECDRN COc1ccc(N2CCN(CN3CC(C)(C)OC3=O)CC2)cc1F ZINC000124287954 1198428156 /nfs/dbraw/zinc/42/81/56/1198428156.db2.gz WJGGRWYPXWKLSG-UHFFFAOYSA-N 0 0 337.395 2.145 20 10 EECDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)CCS(=O)(=O)C1 ZINC000825698468 1198699515 /nfs/dbraw/zinc/69/95/15/1198699515.db2.gz PATOZPWIPUNMCT-SNVBAGLBSA-N 0 0 348.262 2.021 20 10 EECDRN C[C@H](NC(=O)[C@](C)(O)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000813424520 1199039454 /nfs/dbraw/zinc/03/94/54/1199039454.db2.gz PQYRPNXXECQNPW-IFXJQAMLSA-N 0 0 332.444 2.252 20 10 EECDRN NC(=O)CCNC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000814255643 1199400847 /nfs/dbraw/zinc/40/08/47/1199400847.db2.gz YHTDIJNPFICGBV-UHFFFAOYSA-N 0 0 347.802 2.263 20 10 EECDRN CC[C@@H](NC(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(N)=O ZINC000875881447 1199421086 /nfs/dbraw/zinc/42/10/86/1199421086.db2.gz XKTQXEVJPFYDTL-MRXNPFEDSA-N 0 0 328.416 2.157 20 10 EECDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000125726084 1199486682 /nfs/dbraw/zinc/48/66/82/1199486682.db2.gz YVWASRJNPCIWKV-UHFFFAOYSA-N 0 0 339.351 2.137 20 10 EECDRN O=C(CCc1cncs1)NCc1ccc(N2CCOCC2)cc1 ZINC000814406923 1199492350 /nfs/dbraw/zinc/49/23/50/1199492350.db2.gz PFDXQMGDSNKTRQ-UHFFFAOYSA-N 0 0 331.441 2.229 20 10 EECDRN O=C(C[C@@H]1COC(=O)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000126524181 1199935569 /nfs/dbraw/zinc/93/55/69/1199935569.db2.gz IFVMJAMHFPGKTO-ZDUSSCGKSA-N 0 0 329.352 2.467 20 10 EECDRN CCOCCCC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870163751 1200529022 /nfs/dbraw/zinc/52/90/22/1200529022.db2.gz DRANIEZYLUOVQQ-UHFFFAOYSA-N 0 0 336.432 2.169 20 10 EECDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)c1ccsc1)cc2=O ZINC000878830287 1200702196 /nfs/dbraw/zinc/70/21/96/1200702196.db2.gz LBQBWWDSKYJWLO-UHFFFAOYSA-N 0 0 332.385 2.310 20 10 EECDRN Fc1cc(CNc2nnc3ccccn32)ccc1N1CCOCC1 ZINC000120995081 1201480284 /nfs/dbraw/zinc/48/02/84/1201480284.db2.gz ZPQPZTORRIYSNP-UHFFFAOYSA-N 0 0 327.363 2.317 20 10 EECDRN COc1cccc(CNC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)c1O ZINC000866763937 1201600312 /nfs/dbraw/zinc/60/03/12/1201600312.db2.gz ONJKTWLXGFFPCF-VIFPVBQESA-N 0 0 343.305 2.494 20 10 EECDRN COc1cccc(CNC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)c1O ZINC000866762817 1201600517 /nfs/dbraw/zinc/60/05/17/1201600517.db2.gz CWINJYKYONTYQQ-ZBEGNZNMSA-N 0 0 333.359 2.321 20 10 EECDRN Cc1cc(Cn2cc(CN3CCSCC3)nn2)ccc1N(C)C ZINC000881378369 1201688943 /nfs/dbraw/zinc/68/89/43/1201688943.db2.gz NXGSBYFHGGYPJF-UHFFFAOYSA-N 0 0 331.489 2.250 20 10 EECDRN Cc1cc(Cn2cc(Cn3cncn3)nn2)ccc1N1CCCCC1 ZINC000881381584 1201689757 /nfs/dbraw/zinc/68/97/57/1201689757.db2.gz CGPUORFMXZFYDX-UHFFFAOYSA-N 0 0 337.431 2.265 20 10 EECDRN COC(=O)Cc1sccc1C(=O)NCc1ccc(OC)cc1O ZINC000867956264 1201714747 /nfs/dbraw/zinc/71/47/47/1201714747.db2.gz PIEWSZWKDJATRW-UHFFFAOYSA-N 0 0 335.381 2.108 20 10 EECDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1csc(CO)n1 ZINC000868890506 1201899428 /nfs/dbraw/zinc/89/94/28/1201899428.db2.gz UTVPMWIGVYVMRG-LBPRGKRZSA-N 0 0 333.457 2.371 20 10 EECDRN COc1ccc(N2CC[C@H](CNC(=O)C3(F)CCOCC3)C2)cc1 ZINC000868956875 1201912143 /nfs/dbraw/zinc/91/21/43/1201912143.db2.gz UMUJPZRJCZKXKL-CQSZACIVSA-N 0 0 336.407 2.156 20 10 EECDRN C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cncn3)cc2Cl)C1 ZINC000800049854 1202202048 /nfs/dbraw/zinc/20/20/48/1202202048.db2.gz XNOQMIJRSFAPJG-CYBMUJFWSA-N 0 0 347.850 2.484 20 10 EECDRN COc1ccc(NC(=O)NC[C@@H](O)c2ccc(O)c(O)c2)c(C)c1 ZINC001202712325 1202278949 /nfs/dbraw/zinc/27/89/49/1202278949.db2.gz JHOIHELRABNHPE-MRXNPFEDSA-N 0 0 332.356 2.270 20 10 EECDRN Cc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000134614496 1202321087 /nfs/dbraw/zinc/32/10/87/1202321087.db2.gz YTCMRRXBRQSDRI-LLVKDONJSA-N 0 0 346.358 2.231 20 10 EECDRN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1c([O-])cccc1F ZINC000886552275 1202521650 /nfs/dbraw/zinc/52/16/50/1202521650.db2.gz XYKPGRIHSMBFDH-NSHDSACASA-N 0 0 342.436 2.139 20 10 EECDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1c([O-])cccc1F ZINC000886575347 1202525943 /nfs/dbraw/zinc/52/59/43/1202525943.db2.gz QODDRHNJRDPARM-UHIISALHSA-N 0 0 332.379 2.109 20 10 EECDRN COC(=O)[C@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000887074396 1204195921 /nfs/dbraw/zinc/19/59/21/1204195921.db2.gz VLLKEAQZAHLHIU-CYBMUJFWSA-N 0 0 343.832 2.339 20 10 EECDRN CC(C)=CCN1CC2(CN(Cc3cc(F)cc(C)c3O)C2)OCC1=O ZINC001274099416 1204370481 /nfs/dbraw/zinc/37/04/81/1204370481.db2.gz HLJSTHWCTNZZBE-UHFFFAOYSA-N 0 0 348.418 2.219 20 10 EECDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000890278190 1204820637 /nfs/dbraw/zinc/82/06/37/1204820637.db2.gz PLXWDQCHGAFTMF-INIZCTEOSA-N 0 0 345.443 2.325 20 10 EECDRN CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(C)cccc2O)C1=O ZINC001274301557 1204990247 /nfs/dbraw/zinc/99/02/47/1204990247.db2.gz QVALTEDAANSDOR-KUHUBIRLSA-N 0 0 330.428 2.245 20 10 EECDRN COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc(OC)cc1 ZINC001274789995 1205162848 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CN1CCCc2cc(CN3C(=O)N[C@@H](c4cccnc4)C3=O)ccc21 ZINC000761181343 577678534 /nfs/dbraw/zinc/67/85/34/577678534.db2.gz UJWVANJQZFRKGS-KRWDZBQOSA-N 0 0 336.395 2.257 20 10 EECDRN CCS(=O)(=O)c1cccc(CC(=O)NCc2ccccc2O)c1 ZINC000764250757 577733439 /nfs/dbraw/zinc/73/34/39/577733439.db2.gz MVVCWTYEIAVJDP-UHFFFAOYSA-N 0 0 333.409 2.045 20 10 EECDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000751319414 577750781 /nfs/dbraw/zinc/75/07/81/577750781.db2.gz WAQSDJMZGFGVCU-NSHDSACASA-N 0 0 349.408 2.375 20 10 EECDRN CN(C)c1ccc(CNS(=O)(=O)c2cncc(Cl)c2)cc1F ZINC000754794902 577813353 /nfs/dbraw/zinc/81/33/53/577813353.db2.gz YEHCGTGEQXHFBE-UHFFFAOYSA-N 0 0 343.811 2.419 20 10 EECDRN CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756483377 577844921 /nfs/dbraw/zinc/84/49/21/577844921.db2.gz MXZVWPLFTAJVNQ-MRVPVSSYSA-N 0 0 333.201 2.471 20 10 EECDRN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769965 577849995 /nfs/dbraw/zinc/84/99/95/577849995.db2.gz HFSMNQZYFVLWIR-WPKBUWHJSA-N 0 0 346.383 2.436 20 10 EECDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000743247296 577882176 /nfs/dbraw/zinc/88/21/76/577882176.db2.gz GMTYAEGKQNFGEV-UHFFFAOYSA-N 0 0 341.367 2.411 20 10 EECDRN COC(=O)N(C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000743431087 577885248 /nfs/dbraw/zinc/88/52/48/577885248.db2.gz QLRFRORGGSRXFG-UHFFFAOYSA-N 0 0 332.356 2.212 20 10 EECDRN COc1ccc(N(CCN2C(=O)NC(C)(C)C2=O)CC(C)C)cc1 ZINC000746170459 577923520 /nfs/dbraw/zinc/92/35/20/577923520.db2.gz UIQAYZSYWCBVHS-UHFFFAOYSA-N 0 0 333.432 2.488 20 10 EECDRN CC(C)C[C@@H](O)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000746959285 577936954 /nfs/dbraw/zinc/93/69/54/577936954.db2.gz ZRTLQJTXOFTANZ-MAUKXSAKSA-N 0 0 349.475 2.290 20 10 EECDRN COc1ccc(N2CCCN(C(=O)Nc3cc(C)n(C)n3)CC2)cc1 ZINC000748650479 577965296 /nfs/dbraw/zinc/96/52/96/577965296.db2.gz JUSJUWGRQMJVIB-UHFFFAOYSA-N 0 0 343.431 2.481 20 10 EECDRN COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](CC(=O)[O-])C3)c2c1 ZINC000832504430 601374228 /nfs/dbraw/zinc/37/42/28/601374228.db2.gz OSQGSTWHISBSLI-AWEZNQCLSA-N 0 0 331.368 2.230 20 10 EECDRN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000831354277 601818214 /nfs/dbraw/zinc/81/82/14/601818214.db2.gz XOVPPFFZJRCXRQ-XHDPSFHLSA-N 0 0 343.379 2.485 20 10 EECDRN c1[nH]c2ncccc2c1C1=CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC000823867984 608767733 /nfs/dbraw/zinc/76/77/33/608767733.db2.gz MBKHHMALSXLCNC-UHFFFAOYSA-N 0 0 344.382 2.432 20 10 EECDRN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N3Cc4cccc(O)c4C3)O2)CO1 ZINC000891100428 676060064 /nfs/dbraw/zinc/06/00/64/676060064.db2.gz YLFWHUXOCMYYQK-UVBSCNOISA-N 0 0 332.400 2.144 20 10 EECDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cccc(Cl)c1O)CS2 ZINC000890757698 675592480 /nfs/dbraw/zinc/59/24/80/675592480.db2.gz ILEGSCZDZKHNMQ-IAQYHMDHSA-N 0 0 340.832 2.116 20 10 EECDRN O=C(NCc1cccc(Cl)c1O)c1cncc(N2CCCC2)n1 ZINC000890763387 675602043 /nfs/dbraw/zinc/60/20/43/675602043.db2.gz UWMJFDSLKUUMFP-UHFFFAOYSA-N 0 0 332.791 2.366 20 10 EECDRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C ZINC000280026373 679675431 /nfs/dbraw/zinc/67/54/31/679675431.db2.gz VDXQAGQAJSDZDP-MLGOLLRUSA-N 0 0 341.411 2.370 20 10 EECDRN CSCC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000077349359 676625777 /nfs/dbraw/zinc/62/57/77/676625777.db2.gz KXGNTEXUJZRPFP-AWEZNQCLSA-N 0 0 337.489 2.464 20 10 EECDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C)c2-n2cccc2)c1 ZINC000176151995 676894263 /nfs/dbraw/zinc/89/42/63/676894263.db2.gz KVWOXHBHEHFKOK-LBPRGKRZSA-N 0 0 340.383 2.416 20 10 EECDRN COc1cccc(CNS(=O)(=O)c2ccc(F)cc2F)c1O ZINC000161117003 676921021 /nfs/dbraw/zinc/92/10/21/676921021.db2.gz QIZVGPAKBQVUDN-UHFFFAOYSA-N 0 0 329.324 2.158 20 10 EECDRN COc1ccc(O)c(CNC(=O)c2nc(-c3cnn(C)c3)oc2C)c1 ZINC000176295627 677820389 /nfs/dbraw/zinc/82/03/89/677820389.db2.gz BIZMBMXZGHDXBC-UHFFFAOYSA-N 0 0 342.355 2.028 20 10 EECDRN Nc1ccc(CCNC(=O)N2CCN(c3cccc(F)c3)CC2)cc1 ZINC000892039377 677936456 /nfs/dbraw/zinc/93/64/56/677936456.db2.gz SIKAPAMPTOGVLD-UHFFFAOYSA-N 0 0 342.418 2.482 20 10 EECDRN CC(=O)N1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048797057 678381710 /nfs/dbraw/zinc/38/17/10/678381710.db2.gz JLRMAGNIPOPHNG-UHFFFAOYSA-N 0 0 327.222 2.255 20 10 EECDRN Cc1ccc(C(=O)NCCc2nc3ccc(F)cc3n2C)c(O)c1O ZINC000179489043 679834272 /nfs/dbraw/zinc/83/42/72/679834272.db2.gz GFASRZCOBQFNDF-UHFFFAOYSA-N 0 0 343.358 2.405 20 10 EECDRN C[C@H](NC(=O)NCc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000894287214 682092466 /nfs/dbraw/zinc/09/24/66/682092466.db2.gz UJCFJHBXMUMBQH-ZDUSSCGKSA-N 0 0 333.411 2.479 20 10 EECDRN Cc1cnc2c(cnn2CC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000895009839 683466610 /nfs/dbraw/zinc/46/66/10/683466610.db2.gz KUKIZACRQQYPFQ-UHFFFAOYSA-N 0 0 337.427 2.431 20 10 EECDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCOCC3)CC2)cc1 ZINC000181752983 684134544 /nfs/dbraw/zinc/13/45/44/684134544.db2.gz BSNFGOFHFHSRKD-MRXNPFEDSA-N 0 0 347.459 2.486 20 10 EECDRN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895377157 684560570 /nfs/dbraw/zinc/56/05/70/684560570.db2.gz 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/nfs/dbraw/zinc/32/12/02/693321202.db2.gz PSTNWRGQBPSEBX-UHFFFAOYSA-N 0 0 342.417 2.311 20 10 EECDRN CC(C)OC(=O)C(C)(C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000898507286 693346906 /nfs/dbraw/zinc/34/69/06/693346906.db2.gz RHNUJKASJXAPFJ-UHFFFAOYSA-N 0 0 338.423 2.482 20 10 EECDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@]3(CCC[C@@H]3C(N)=O)C2)cc1 ZINC001270963236 1185776637 /nfs/dbraw/zinc/77/66/37/1185776637.db2.gz UXMOGLFLXOJJMU-JACSLDNWSA-N 0 0 341.455 2.270 20 10 EECDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)OCC1CC1 ZINC000841537737 1187124095 /nfs/dbraw/zinc/12/40/95/1187124095.db2.gz XNRBFXNUBJZHGE-UHFFFAOYSA-N 0 0 326.343 2.438 20 10 EECDRN CN(C)c1ccc(CN2C[C@@]3(F)CN(CC4CC4)C[C@@]3(F)C2=O)cc1 ZINC001272490075 1190848900 /nfs/dbraw/zinc/84/89/00/1190848900.db2.gz JZPRWYCGOOHXBQ-RBUKOAKNSA-N 0 0 349.425 2.237 20 10 EECDRN Cc1ccc(C)c(CN2CC3(C2)CN(C2CCCC2)C(=O)CO3)c1O ZINC001273049184 1194352221 /nfs/dbraw/zinc/35/22/21/1194352221.db2.gz OXOOYZIOTVNBFX-UHFFFAOYSA-N 0 0 344.455 2.365 20 10 EECDRN CCOC(=O)Cc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001212526677 1196028944 /nfs/dbraw/zinc/02/89/44/1196028944.db2.gz SLNWHBIYNMXDGX-UHFFFAOYSA-N 0 0 348.424 2.472 20 10 EECDRN CC[C@H](C)N1C(=O)COCC12CN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001273207043 1197537724 /nfs/dbraw/zinc/53/77/24/1197537724.db2.gz WXIISPCOMSBVIX-INIZCTEOSA-N 0 0 345.487 2.273 20 10 EECDRN Cc1c(/C=C2\SC(N3CCOCC3)=NC2=O)cccc1[N+](=O)[O-] ZINC000871657147 1197815761 /nfs/dbraw/zinc/81/57/61/1197815761.db2.gz PAXPCYZKOXTFOI-LCYFTJDESA-N 0 0 333.369 2.206 20 10 EECDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019105895 1197831503 /nfs/dbraw/zinc/83/15/03/1197831503.db2.gz RNJYQHYJNNLBQO-UHFFFAOYSA-N 0 0 348.453 2.236 20 10 EECDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)NC1(CO)CCC1 ZINC000888590080 1197965549 /nfs/dbraw/zinc/96/55/49/1197965549.db2.gz SAFUNROKOGGTCC-UHFFFAOYSA-N 0 0 337.383 2.433 20 10 EECDRN COC(=O)c1cnc(Sc2c3c(nc4ncnn42)CCC3)s1 ZINC000865843818 1198399606 /nfs/dbraw/zinc/39/96/06/1198399606.db2.gz SQLQEUWNJQWFFL-UHFFFAOYSA-N 0 0 333.398 2.007 20 10 EECDRN COc1ccc(N2CCN(C(=O)c3nnc(C(C)(C)C)o3)CC2)cc1 ZINC000865893256 1198416824 /nfs/dbraw/zinc/41/68/24/1198416824.db2.gz YCKUSGIXRLKNRJ-UHFFFAOYSA-N 0 0 344.415 2.338 20 10 EECDRN Cc1ncc2c(n1)CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)C2 ZINC000875049768 1199121108 /nfs/dbraw/zinc/12/11/08/1199121108.db2.gz BALWPBPXGMVJAQ-RISCZKNCSA-N 0 0 326.400 2.408 20 10 EECDRN C[C@H](NC(=O)N[C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000825775802 1199192085 /nfs/dbraw/zinc/19/20/85/1199192085.db2.gz DBBZWNMHWSLMQF-YCPHGPKFSA-N 0 0 333.432 2.061 20 10 EECDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000875449100 1199254698 /nfs/dbraw/zinc/25/46/98/1199254698.db2.gz DLYRQBJPTGPCQU-HNNXBMFYSA-N 0 0 345.443 2.433 20 10 EECDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3conc3C)C2)cc1 ZINC000875678716 1199343637 /nfs/dbraw/zinc/34/36/37/1199343637.db2.gz FVJARPQPKGSXLH-AWEZNQCLSA-N 0 0 344.415 2.317 20 10 EECDRN CC(C)N1C(=S)N=NC1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000875719826 1199360106 /nfs/dbraw/zinc/36/01/06/1199360106.db2.gz PSHKIRGOPYCPDB-LLVKDONJSA-N 0 0 349.460 2.456 20 10 EECDRN Cc1cc(CNC(=O)N[C@@H](C)CC(N)=O)c(C)n1-c1cccc(C)c1 ZINC000875878185 1199419010 /nfs/dbraw/zinc/41/90/10/1199419010.db2.gz FGWFEAACPJULRX-ZDUSSCGKSA-N 0 0 342.443 2.466 20 10 EECDRN CO[C@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000875905891 1199427813 /nfs/dbraw/zinc/42/78/13/1199427813.db2.gz DGBFJUUHSNYZMC-BZUAXINKSA-N 0 0 334.416 2.260 20 10 EECDRN COc1cccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C)c1O ZINC000810328473 1199434077 /nfs/dbraw/zinc/43/40/77/1199434077.db2.gz RTKGYCWAVHDOCE-UHFFFAOYSA-N 0 0 343.305 2.241 20 10 EECDRN COc1ccc(N2CCN(C(=O)CCc3cnc(N)s3)CC2)cc1 ZINC000876708321 1199733067 /nfs/dbraw/zinc/73/30/67/1199733067.db2.gz MMGFHBMPTVTIOE-UHFFFAOYSA-N 0 0 346.456 2.015 20 10 EECDRN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877418032 1199926590 /nfs/dbraw/zinc/92/65/90/1199926590.db2.gz VIUQIEHJFSGINC-HNAYVOBHSA-N 0 0 346.471 2.421 20 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CC(C)c1cc(N2CC=C(CCNC(=O)CC(C)(C)O)CC2)ncn1 ZINC001089827294 777146942 /nfs/dbraw/zinc/14/69/42/777146942.db2.gz HKOMWVOMZOTRHE-UHFFFAOYSA-N 0 0 346.475 2.404 20 10 EECDRN COc1ccc(N2CCN([C@H](C)c3nc(C)no3)CC2)c(OC)c1 ZINC000846750604 790535962 /nfs/dbraw/zinc/53/59/62/790535962.db2.gz WZFJEYSXEKJBHW-GFCCVEGCSA-N 0 0 332.404 2.278 20 10 EECDRN Cc1conc1C(=O)NCCC1=CCN(c2ccc(C)nn2)CC1 ZINC001089842696 777775799 /nfs/dbraw/zinc/77/57/99/777775799.db2.gz UKRMQHMFLXQQLR-UHFFFAOYSA-N 0 0 327.388 2.038 20 10 EECDRN CC[C@H]1CC[C@@H](C(=O)NCCC2=CCN(c3cc(F)ncn3)CC2)O1 ZINC001089843452 777837309 /nfs/dbraw/zinc/83/73/09/777837309.db2.gz GVHLFHKHVNTDJV-GJZGRUSLSA-N 0 0 348.422 2.216 20 10 EECDRN CCO[C@@H](C(=O)NCCC1=CCN(c2ccc(C)nn2)CC1)C(C)C ZINC001089845689 777850171 /nfs/dbraw/zinc/85/01/71/777850171.db2.gz YIFBABMGHSSLJN-GOSISDBHSA-N 0 0 346.475 2.489 20 10 EECDRN O=C(NCCC1=CCN(c2cc(F)ncn2)CC1)[C@H]1CC[C@H](F)C1 ZINC001089856296 778347182 /nfs/dbraw/zinc/34/71/82/778347182.db2.gz 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COc1ccc(N2CCN(C(=O)[C@@H](C)c3cnccn3)CC2)cc1F ZINC000906950582 784292072 /nfs/dbraw/zinc/29/20/72/784292072.db2.gz QYJLZASNYHYLRL-ZDUSSCGKSA-N 0 0 344.390 2.077 20 10 EECDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1cnc2n1CCCC2 ZINC000907264538 784505023 /nfs/dbraw/zinc/50/50/23/784505023.db2.gz HOLFCSKKGCMRQZ-UHFFFAOYSA-N 0 0 341.820 2.057 20 10 EECDRN CC[C@@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000817129692 784523892 /nfs/dbraw/zinc/52/38/92/784523892.db2.gz LGRIUWZBQKVVIR-KRWDZBQOSA-N 0 0 340.489 2.472 20 10 EECDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000804109969 784684137 /nfs/dbraw/zinc/68/41/37/784684137.db2.gz QNGYTUPOBMFMNR-YOEHRIQHSA-N 0 0 348.443 2.062 20 10 EECDRN Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)c(O)c1O ZINC000817696000 784929952 /nfs/dbraw/zinc/92/99/52/784929952.db2.gz MPKYCHGGTGFDGF-OAHLLOKOSA-N 0 0 346.427 2.317 20 10 EECDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817775915 784959735 /nfs/dbraw/zinc/95/97/35/784959735.db2.gz 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CC[C@H](CO)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000779617584 1210596490 /nfs/dbraw/zinc/59/64/90/1210596490.db2.gz CVQGWODNVNIRMB-SJLPKXTDSA-N 0 0 334.460 2.279 20 10 EECDRN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193066877 1210712055 /nfs/dbraw/zinc/71/20/55/1210712055.db2.gz GTXUMPRZZNIKEZ-GFCCVEGCSA-N 0 0 334.416 2.112 20 10 EECDRN COCCCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000079998692 1210770107 /nfs/dbraw/zinc/77/01/07/1210770107.db2.gz CALPPIQBZUYQRD-UHFFFAOYSA-N 0 0 349.475 2.121 20 10 EECDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)NC[C@H]1CCCO1 ZINC000096970928 1213926530 /nfs/dbraw/zinc/92/65/30/1213926530.db2.gz JCJBFBMGGMNITK-MRXNPFEDSA-N 0 0 344.411 2.283 20 10 EECDRN CC[C@@H](C)[C@](C)(O)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000304083292 1214086265 /nfs/dbraw/zinc/08/62/65/1214086265.db2.gz ZAMIRQXCQIXEEA-SJKOYZFVSA-N 0 0 325.428 2.488 20 10 EECDRN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000091985289 1214372315 /nfs/dbraw/zinc/37/23/15/1214372315.db2.gz BQLSKWSSWZTNPH-VIFPVBQESA-N 0 0 346.221 2.404 20 10 EECDRN CN(C)c1ccc(CN2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000092937559 1214714071 /nfs/dbraw/zinc/71/40/71/1214714071.db2.gz KOGLUKKKQJCAGY-UHFFFAOYSA-N 0 0 339.439 2.416 20 10 EECDRN CC(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001012947097 1225640551 /nfs/dbraw/zinc/64/05/51/1225640551.db2.gz DHSBMDGLPKEMRN-BXUZGUMPSA-N 0 0 345.403 2.224 20 10 EECDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCF)cc1 ZINC001040018609 1230966608 /nfs/dbraw/zinc/96/66/08/1230966608.db2.gz DTZVSQCVBWSLKG-GASCZTMLSA-N 0 0 347.394 2.497 20 10 EECDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)cc2n[nH]nc21 ZINC000800494606 1234211602 /nfs/dbraw/zinc/21/16/02/1234211602.db2.gz FFIZDDYDLUHCSE-UHFFFAOYSA-N 0 0 327.363 2.401 20 10 EECDRN CNc1nc(C)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000900338355 1234235342 /nfs/dbraw/zinc/23/53/42/1234235342.db2.gz WFDHAFUAIRVVIQ-UHFFFAOYSA-N 0 0 340.427 2.198 20 10 EECDRN COc1ccc2c(c1)OCCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000802743481 1238126600 /nfs/dbraw/zinc/12/66/00/1238126600.db2.gz DPCQXQIEUIGSAX-QGZVFWFLSA-N 0 0 343.379 2.221 20 10 EECDRN O=C(NCc1ccc(O)c(O)c1)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000802785022 1238230143 /nfs/dbraw/zinc/23/01/43/1238230143.db2.gz WSNOXFJGDOOIJO-AWEZNQCLSA-N 0 0 341.285 2.466 20 10 EECDRN C[C@@H](NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)c1ccccc1O ZINC000827946785 1252508436 /nfs/dbraw/zinc/50/84/36/1252508436.db2.gz RNYHLAULYCYNRL-YGRLFVJLSA-N 0 0 334.372 2.056 20 10 EECDRN Cc1sc(NC(=O)C(=O)NCCc2ccc(N)cc2)nc1C(C)C ZINC000850822108 1277353800 /nfs/dbraw/zinc/35/38/00/1277353800.db2.gz FLDMSMDEWBZTSB-UHFFFAOYSA-N 0 0 346.456 2.455 20 10 EECDRN COc1cc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc(O)c1O ZINC001193103757 1282321942 /nfs/dbraw/zinc/32/19/42/1282321942.db2.gz AOPPZTOQFBONMG-UHFFFAOYSA-N 0 0 336.731 2.111 20 10 EECDRN CN(C)c1ccc(-c2nc(C(=O)Nc3cnnn3C)cs2)cc1 ZINC001193164254 1282367159 /nfs/dbraw/zinc/36/71/59/1282367159.db2.gz YKUBYWGWKIZMRB-UHFFFAOYSA-N 0 0 328.401 2.257 20 10 EECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncn1CCOC ZINC001194648651 1283218329 /nfs/dbraw/zinc/21/83/29/1283218329.db2.gz IDBSEWMCSXZXMZ-UHFFFAOYSA-N 0 0 330.432 2.258 20 10 EECDRN CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2O)C1=O ZINC001273740686 1284524099 /nfs/dbraw/zinc/52/40/99/1284524099.db2.gz RLJBHCSVMBWIOR-BFUOFWGJSA-N 0 0 346.427 2.456 20 10 EECDRN O=C(CNC(=O)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(O)c(O)c1 ZINC001201942938 1289829570 /nfs/dbraw/zinc/82/95/70/1289829570.db2.gz XSELTZAIMZIBMO-UONOGXRCSA-N 0 0 326.352 2.136 20 10 EECDRN OC1CCN(c2ccc(CNC(=S)NCC(F)(F)F)cc2)CC1 ZINC000853040809 1292261375 /nfs/dbraw/zinc/26/13/75/1292261375.db2.gz IRBDTBJVKAPZBQ-UHFFFAOYSA-N 0 0 347.406 2.174 20 10 EECDRN Cc1cc(C(=O)N2CCC(O)(CO)CC2)c(C)n1-c1cccc(C)c1 ZINC000855684499 1293294409 /nfs/dbraw/zinc/29/44/09/1293294409.db2.gz ITGZLRNBYMYXMR-UHFFFAOYSA-N 0 0 342.439 2.362 20 10 EECDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[nH]n1 ZINC000856210333 1293445508 /nfs/dbraw/zinc/44/55/08/1293445508.db2.gz YDQXWNQMASVOEV-UHFFFAOYSA-N 0 0 342.443 2.424 20 10 EECDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1CCSCC1 ZINC000856211459 1293446278 /nfs/dbraw/zinc/44/62/78/1293446278.db2.gz QUQIVYIVBNGWNP-UHFFFAOYSA-N 0 0 334.485 2.407 20 10 EECDRN COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856215111 1293448294 /nfs/dbraw/zinc/44/82/94/1293448294.db2.gz JRIHSYYFQGNNAI-CABCVRRESA-N 0 0 334.460 2.183 20 10 EECDRN O=C(NCc1ccc(N2CCCNC2=O)cc1)C1=CC(=O)CS1 ZINC000856325352 1293484251 /nfs/dbraw/zinc/48/42/51/1293484251.db2.gz XOAFYOVIKOETLX-UHFFFAOYSA-N 0 0 331.397 2.303 20 10 EECDRN O=C(NCCCSc1nccs1)c1cccc(-n2cnnn2)c1 ZINC000114139840 1293489842 /nfs/dbraw/zinc/48/98/42/1293489842.db2.gz MFHLHJBFTMSQFZ-UHFFFAOYSA-N 0 0 346.441 2.031 20 10 EECDRN COc1ccc(O)c(CNC(=O)C[C@H](C)NC(=O)c2ccccc2)c1 ZINC000114541608 1293601279 /nfs/dbraw/zinc/60/12/79/1293601279.db2.gz OMVKJYWEKYAIET-ZDUSSCGKSA-N 0 0 342.395 2.226 20 10 EECDRN CC[C@H](C)[C@@H](O)CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000114954190 1293751106 /nfs/dbraw/zinc/75/11/06/1293751106.db2.gz AVXKOAVGMIBECA-KSSFIOAISA-N 0 0 349.475 2.370 20 10 EECDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCOC[C@H]1CCCO1 ZINC000115789634 1293987072 /nfs/dbraw/zinc/98/70/72/1293987072.db2.gz KMGZJENCPDPACE-GOSISDBHSA-N 0 0 349.475 2.446 20 10 EECDRN CC[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000115811012 1293994411 /nfs/dbraw/zinc/99/44/11/1293994411.db2.gz VRKVLESDKGTTKL-RDJZCZTQSA-N 0 0 347.459 2.405 20 10 EECDRN Cc1ncc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)n1C ZINC000858921311 1294263204 /nfs/dbraw/zinc/26/32/04/1294263204.db2.gz GHKUFXCHRSWCKQ-UHFFFAOYSA-N 0 0 348.472 2.197 20 10 EECDRN C[C@]1(CNC(=O)NCCc2ccc(N)cc2)COc2ccccc2O1 ZINC000861641616 1295487214 /nfs/dbraw/zinc/48/72/14/1295487214.db2.gz UOTSHSDKKIBVQM-IBGZPJMESA-N 0 0 341.411 2.341 20 10 EECDRN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CNCC3(F)F)cccc21 ZINC001218233641 1297610035 /nfs/dbraw/zinc/61/00/35/1297610035.db2.gz NDDSCDZQSGGKJU-CQSZACIVSA-N 0 0 329.302 2.448 20 10 EECDRN COc1ccc2c(c1)OC[C@@H](CNC(=O)Cc1ccc(N)cc1)C2 ZINC001221320916 1298774258 /nfs/dbraw/zinc/77/42/58/1298774258.db2.gz INXKPLLQRZARCE-CQSZACIVSA-N 0 0 326.396 2.187 20 10 EECDRN NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2CN(CCF)C3)cc1 ZINC001099179016 1298956014 /nfs/dbraw/zinc/95/60/14/1298956014.db2.gz WDUQVCUAGHAIKV-GUYCJALGSA-N 0 0 347.394 2.403 20 10 EECDRN CN1CCO[C@@H](COC2=CC(=O)C=CC2=NNc2ccccn2)C1=O ZINC001227492258 1301850684 /nfs/dbraw/zinc/85/06/84/1301850684.db2.gz OPWSTMRIAFUZTM-CVTQAYBASA-N 0 0 342.355 2.439 20 10 EECDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC001231563677 1303847467 /nfs/dbraw/zinc/84/74/67/1303847467.db2.gz LUYYAZYMMNWIEO-LJQANCHMSA-N 0 0 338.363 2.186 20 10 EECDRN COC(=O)c1cccc2c1CN(Cc1cc(OC)c(O)cc1O)CC2 ZINC001231639691 1303876420 /nfs/dbraw/zinc/87/64/20/1303876420.db2.gz ZNXXZHQTHHISCR-UHFFFAOYSA-N 0 0 343.379 2.451 20 10 EECDRN CCOC(=O)CCN(CC(=O)OCC)Cc1c(C)cc(C)cc1O ZINC001231846510 1303930108 /nfs/dbraw/zinc/93/01/08/1303930108.db2.gz NGPODKUUDWXPPW-UHFFFAOYSA-N 0 0 337.416 2.327 20 10 EECDRN COc1cc(O)c(CN2CCN(C(=O)C3CCC3)CC2)cc1Cl ZINC001232269902 1304059577 /nfs/dbraw/zinc/05/95/77/1304059577.db2.gz MSIWPNPRECCGDC-UHFFFAOYSA-N 0 0 338.835 2.499 20 10 EECDRN CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000783586739 1304303708 /nfs/dbraw/zinc/30/37/08/1304303708.db2.gz CIRFVAMLTWAPCY-GOSISDBHSA-N 0 0 331.460 2.372 20 10 EECDRN CCOC(=O)c1c(CN2CC(=O)N(C)C[C@@H]2C)c2ccccc2n1C ZINC001233273362 1304412791 /nfs/dbraw/zinc/41/27/91/1304412791.db2.gz ZGQSLMXTNVIGID-ZDUSSCGKSA-N 0 0 343.427 2.018 20 10 EECDRN CCCNC(=O)COC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336440 1304436379 /nfs/dbraw/zinc/43/63/79/1304436379.db2.gz LPXCKDAQAQXDCY-UHFFFAOYSA-N 0 0 342.386 2.178 20 10 EECDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1[O-] ZINC000784622130 1304513863 /nfs/dbraw/zinc/51/38/63/1304513863.db2.gz YWCDKQBSVUKERT-LLVKDONJSA-N 0 0 348.808 2.011 20 10 EECDRN CC(=O)c1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)nc1C ZINC000784826567 1304556518 /nfs/dbraw/zinc/55/65/18/1304556518.db2.gz RCHKOIZMLXBFFM-UHFFFAOYSA-N 0 0 343.335 2.352 20 10 EECDRN Cc1cccc(CNc2cccc(NC(=O)NCCC(N)=O)c2)c1O ZINC000798089317 1304917901 /nfs/dbraw/zinc/91/79/01/1304917901.db2.gz PSZPOISXIJFLQK-UHFFFAOYSA-N 0 0 342.399 2.310 20 10 EECDRN Nc1nccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1[N+](=O)[O-] ZINC000798171523 1304936455 /nfs/dbraw/zinc/93/64/55/1304936455.db2.gz BVRLBLRCUXFNSA-UHFFFAOYSA-N 0 0 342.355 2.086 20 10 EECDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001234478403 1304938057 /nfs/dbraw/zinc/93/80/57/1304938057.db2.gz ZLSBOCJKEKORJT-OKILXGFUSA-N 0 0 335.400 2.323 20 10 EECDRN FC(F)(F)Cn1nnc(COc2ccc(N3CCCC3)cc2)n1 ZINC000798221358 1304952052 /nfs/dbraw/zinc/95/20/52/1304952052.db2.gz OYLXZRTUODHWGS-UHFFFAOYSA-N 0 0 327.310 2.415 20 10 EECDRN [O-]c1cc(Br)cc(F)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060578 1305487891 /nfs/dbraw/zinc/48/78/91/1305487891.db2.gz PROCLCHOGDNHKK-ONGXEEELSA-N 0 0 329.213 2.478 20 10 EECDRN OC[C@@H]1C[C@H](F)CN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236766456 1305666654 /nfs/dbraw/zinc/66/66/54/1305666654.db2.gz HDMXINABGGTJET-SCZZXKLOSA-N 0 0 334.185 2.013 20 10 EECDRN COC(=O)N1CCCN(Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236798975 1305679278 /nfs/dbraw/zinc/67/92/78/1305679278.db2.gz QOZJCJCEQGDSAD-UHFFFAOYSA-N 0 0 328.796 2.328 20 10 EECDRN CC1(C)CN(Cc2cc(Cl)c(Cl)cc2O)CCN1CC(N)=O ZINC001236798688 1305679542 /nfs/dbraw/zinc/67/95/42/1305679542.db2.gz KIVWGLWZYDQBRI-UHFFFAOYSA-N 0 0 346.258 2.081 20 10 EECDRN O=C1COCC2(CC[NH+](Cc3c([O-])ccc(Cl)c3Cl)CC2)N1 ZINC001237079261 1305789938 /nfs/dbraw/zinc/78/99/38/1305789938.db2.gz JEMVTQURZGIZNI-UHFFFAOYSA-N 0 0 345.226 2.180 20 10 EECDRN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1c2nonc2ccc1Cl ZINC001116836764 1305922583 /nfs/dbraw/zinc/92/25/83/1305922583.db2.gz IHBIPSXYAWFKID-UHFFFAOYSA-N 0 0 333.735 2.048 20 10 EECDRN 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ZINC000769363525 577575988 /nfs/dbraw/zinc/57/59/88/577575988.db2.gz SRXBQRURHHAMFH-LLVKDONJSA-N 0 0 332.787 2.480 20 10 EECDRN COc1ccc(OC)c(CN(CCO)Cc2c(O)cccc2OC)c1 ZINC000769404191 577577104 /nfs/dbraw/zinc/57/71/04/577577104.db2.gz OQRBKROSGWPIRH-UHFFFAOYSA-N 0 0 347.411 2.413 20 10 EECDRN CCn1nc(/C=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21 ZINC000769742558 577583361 /nfs/dbraw/zinc/58/33/61/577583361.db2.gz LITCTKAILKVXFO-RVDMUPIBSA-N 0 0 342.424 2.359 20 10 EECDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccccc2O)CC1 ZINC000770508628 577597820 /nfs/dbraw/zinc/59/78/20/577597820.db2.gz CGKPYWBINQQAAU-UHFFFAOYSA-N 0 0 347.396 2.320 20 10 EECDRN NC(=O)CN1C(=O)/C(=C\c2cnc(C3CCC3)s2)SC1=S ZINC000760214873 577658975 /nfs/dbraw/zinc/65/89/75/577658975.db2.gz ALKASJPEZPOFJY-RUDMXATFSA-N 0 0 339.467 2.097 20 10 EECDRN O=C1N[C@H]([C@H]2CCCOC2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000761090055 577676369 /nfs/dbraw/zinc/67/63/69/577676369.db2.gz IRQOQPQKSLDOFB-DOTOQJQBSA-N 0 0 343.427 2.134 20 10 EECDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)c1 ZINC000761972256 577692504 /nfs/dbraw/zinc/69/25/04/577692504.db2.gz HYRRRBVVKMHRNY-WFASDCNBSA-N 0 0 349.431 2.160 20 10 EECDRN C[C@H](NC(=O)N[C@@]1(C)CCO[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000753125426 577782025 /nfs/dbraw/zinc/78/20/25/577782025.db2.gz CCBDADPONUHOMI-DOXZYTNZSA-N 0 0 347.459 2.451 20 10 EECDRN COc1ccc(COCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000753641030 577791055 /nfs/dbraw/zinc/79/10/55/577791055.db2.gz XQFCSCZONYFVPO-ZDUSSCGKSA-N 0 0 345.395 2.370 20 10 EECDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1=COCCO1 ZINC000754546107 577808454 /nfs/dbraw/zinc/80/84/54/577808454.db2.gz MODZXULUHPGFLT-UHFFFAOYSA-N 0 0 335.315 2.289 20 10 EECDRN Cn1cc(NC(=O)C2=CC(=O)CS2)cc(Br)c1=O ZINC000755872554 577833149 /nfs/dbraw/zinc/83/31/49/577833149.db2.gz SNQJRZNQXGDVFF-UHFFFAOYSA-N 0 0 329.175 2.167 20 10 EECDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1 ZINC000756362340 577842710 /nfs/dbraw/zinc/84/27/10/577842710.db2.gz LTFXSFKXTLGJNM-GOSISDBHSA-N 0 0 342.395 2.144 20 10 EECDRN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1[O-] ZINC000756361107 577842722 /nfs/dbraw/zinc/84/27/22/577842722.db2.gz HYBTUAJSGYAJTE-LBPRGKRZSA-N 0 0 349.406 2.437 20 10 EECDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1 ZINC000756704239 577848992 /nfs/dbraw/zinc/84/89/92/577848992.db2.gz ITJZCVAHJWVHKD-DYVFJYSZSA-N 0 0 348.443 2.476 20 10 EECDRN CCc1c(NC(=O)C(=O)NCc2ccccc2O)cnn1CC(C)C ZINC000757161763 577858091 /nfs/dbraw/zinc/85/80/91/577858091.db2.gz YHTMIHONAGKBIN-UHFFFAOYSA-N 0 0 344.415 2.062 20 10 EECDRN C[C@H]1C[C@H](Nc2cnn(CC(=O)N(C)C)c2)c2c1c(F)ccc2O ZINC000757640547 577861579 /nfs/dbraw/zinc/86/15/79/577861579.db2.gz XXTMXENEPVLGKU-GWCFXTLKSA-N 0 0 332.379 2.476 20 10 EECDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)n1nnnc1C(C)(C)C ZINC000757706125 577862862 /nfs/dbraw/zinc/86/28/62/577862862.db2.gz UWIPLEPUGDCGFV-ZDUSSCGKSA-N 0 0 344.463 2.256 20 10 EECDRN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000757926747 577866628 /nfs/dbraw/zinc/86/66/28/577866628.db2.gz NHQGVFQABUGHIN-AWEZNQCLSA-N 0 0 346.221 2.213 20 10 EECDRN COc1cccc(CNC(=O)NCc2ccc(NC(C)=O)cc2)c1O ZINC000745422460 577913740 /nfs/dbraw/zinc/91/37/40/577913740.db2.gz YANWTRKODLGCDU-UHFFFAOYSA-N 0 0 343.383 2.359 20 10 EECDRN Cn1c(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC000746811390 577934221 /nfs/dbraw/zinc/93/42/21/577934221.db2.gz BVLRWXIXZHZDEQ-UHFFFAOYSA-N 0 0 328.372 2.246 20 10 EECDRN CCCN(CC)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000746952262 577936813 /nfs/dbraw/zinc/93/68/13/577936813.db2.gz PYRSBPKFUWPTCR-MRXNPFEDSA-N 0 0 346.475 2.330 20 10 EECDRN CC(C)C[C@H](O)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000746959286 577936951 /nfs/dbraw/zinc/93/69/51/577936951.db2.gz ZRTLQJTXOFTANZ-QAPCUYQASA-N 0 0 349.475 2.290 20 10 EECDRN CNC(=O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747588852 577946697 /nfs/dbraw/zinc/94/66/97/577946697.db2.gz OIZXOEQYCVJMPA-UHFFFAOYSA-N 0 0 333.819 2.152 20 10 EECDRN COc1ccc(N2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)cc1 ZINC000748839200 577968059 /nfs/dbraw/zinc/96/80/59/577968059.db2.gz WBYQVPRZTNINNX-QGZVFWFLSA-N 0 0 330.428 2.161 20 10 EECDRN CC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 ZINC000749917688 577983812 /nfs/dbraw/zinc/98/38/12/577983812.db2.gz FBCFEUPWGWQOFR-HNNXBMFYSA-N 0 0 329.444 2.195 20 10 EECDRN COC(=O)CCCNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741876264 578125634 /nfs/dbraw/zinc/12/56/34/578125634.db2.gz RZYHYYJCWCSZML-UHFFFAOYSA-N 0 0 336.457 2.188 20 10 EECDRN CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000737478022 578259814 /nfs/dbraw/zinc/25/98/14/578259814.db2.gz YMKLPJVOKXAWEW-QGZVFWFLSA-N 0 0 347.459 2.040 20 10 EECDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC000824458721 609417996 /nfs/dbraw/zinc/41/79/96/609417996.db2.gz XXRJRXPNFAZAMG-VIFPVBQESA-N 0 0 329.335 2.460 20 10 EECDRN CCN(CC)C(=O)[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866258 678204866 /nfs/dbraw/zinc/20/48/66/678204866.db2.gz KUPUXABZPDOWQP-AWEZNQCLSA-N 0 0 337.439 2.213 20 10 EECDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](O)c1ccccn1 ZINC000840556805 679154450 /nfs/dbraw/zinc/15/44/50/679154450.db2.gz XOKCVKLDCNFOSH-RDTXWAMCSA-N 0 0 327.428 2.237 20 10 EECDRN C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840877407 679617840 /nfs/dbraw/zinc/61/78/40/679617840.db2.gz WIIOXGSOKATINQ-JTQLQIEISA-N 0 0 330.406 2.164 20 10 EECDRN COc1ccc(N2CCN(S(=O)(=O)CC3CCCC3)CC2)cc1 ZINC000178275976 682879404 /nfs/dbraw/zinc/87/94/04/682879404.db2.gz DWEAGBNMNMJVQA-UHFFFAOYSA-N 0 0 338.473 2.337 20 10 EECDRN COC(=O)[C@H]1[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)C1(F)F ZINC000894429560 682892030 /nfs/dbraw/zinc/89/20/30/682892030.db2.gz JYBHVLXMONCYKH-ZWNOBZJWSA-N 0 0 345.342 2.203 20 10 EECDRN O=C(NCc1ccc(N2CCCC2)cc1)NCC1CC2(C1)OCCO2 ZINC000914180768 683338939 /nfs/dbraw/zinc/33/89/39/683338939.db2.gz VZZXSDJNMPUQBH-UHFFFAOYSA-N 0 0 345.443 2.239 20 10 EECDRN CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001025839627 683355897 /nfs/dbraw/zinc/35/58/97/683355897.db2.gz PLASSTSZFJMINX-UONOGXRCSA-N 0 0 343.387 2.026 20 10 EECDRN C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715794174 683836611 /nfs/dbraw/zinc/83/66/11/683836611.db2.gz JALLOMMGJBOYOT-CVJBHZAOSA-N 0 0 338.242 2.493 20 10 EECDRN c1cc(N2CCOCC2)ccc1CNc1nnc([C@@H]2CCCO2)o1 ZINC000181799436 684137991 /nfs/dbraw/zinc/13/79/91/684137991.db2.gz XHTBAERZPWJJDJ-HNNXBMFYSA-N 0 0 330.388 2.370 20 10 EECDRN Cc1cc(N(C)C)ccc1CN1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000895198948 684280515 /nfs/dbraw/zinc/28/05/15/684280515.db2.gz ATCLUQZAZFWPPD-INIZCTEOSA-N 0 0 337.489 2.280 20 10 EECDRN NC(=O)c1csc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000053485655 684735282 /nfs/dbraw/zinc/73/52/82/684735282.db2.gz ZZORDGNRSOFINS-UHFFFAOYSA-N 0 0 329.425 2.377 20 10 EECDRN CNC(=O)Cc1noc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000162733084 684947297 /nfs/dbraw/zinc/94/72/97/684947297.db2.gz FCMZMNOBUISVEY-UHFFFAOYSA-N 0 0 340.383 2.441 20 10 EECDRN COc1ccc(N2CCN(C(=O)c3cc(N)nc(Cl)c3)CC2)cc1 ZINC000195129808 685717056 /nfs/dbraw/zinc/71/70/56/685717056.db2.gz LQPAPVJZUUMMER-UHFFFAOYSA-N 0 0 346.818 2.288 20 10 EECDRN COc1ccc2c(c1)OC[C@@H](NC(=O)NCCc1ccc(N)cc1)C2 ZINC000841867066 1188077755 /nfs/dbraw/zinc/07/77/55/1188077755.db2.gz QGZTWHZMZUTKOR-INIZCTEOSA-N 0 0 341.411 2.123 20 10 EECDRN CO[C@@H](CNC(=O)NCCc1ccc(N)cc1)Cc1ccccc1 ZINC000841908368 1188156562 /nfs/dbraw/zinc/15/65/62/1188156562.db2.gz NNICSACKGIYAME-GOSISDBHSA-N 0 0 327.428 2.368 20 10 EECDRN CCc1ccc([C@H](O)CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841961981 1188209642 /nfs/dbraw/zinc/20/96/42/1188209642.db2.gz JFIRSMGDFFJQOH-GOSISDBHSA-N 0 0 327.428 2.407 20 10 EECDRN C/C=C(\C)C(=O)N[C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001077060262 1189308414 /nfs/dbraw/zinc/30/84/14/1189308414.db2.gz WZDQZDQLDWFKOD-VXYOCADESA-N 0 0 345.403 2.440 20 10 EECDRN CC(C)CNC(=S)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905580621 1189794139 /nfs/dbraw/zinc/79/41/39/1189794139.db2.gz RYAGMOXWTBYEPQ-UHFFFAOYSA-N 0 0 348.516 2.008 20 10 EECDRN C[C@H](NC(=O)N[C@@]1(C)CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000123593948 1197693094 /nfs/dbraw/zinc/69/30/94/1197693094.db2.gz SGSQCJZSFGGTBS-KSSFIOAISA-N 0 0 333.432 2.062 20 10 EECDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000888585492 1197851637 /nfs/dbraw/zinc/85/16/37/1197851637.db2.gz LZZYXINKQRZWOI-WDNDVIMCSA-N 0 0 349.394 2.098 20 10 EECDRN O=C(/C=C\CN1CCOCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000865030706 1198054054 /nfs/dbraw/zinc/05/40/54/1198054054.db2.gz CHSBASQDXMIFLW-PLNGDYQASA-N 0 0 343.471 2.182 20 10 EECDRN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1O ZINC000874192536 1198818601 /nfs/dbraw/zinc/81/86/01/1198818601.db2.gz ZLDDKTFHDYXDEE-LLVKDONJSA-N 0 0 330.388 2.065 20 10 EECDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1-c1ccccn1 ZINC000813513570 1199063012 /nfs/dbraw/zinc/06/30/12/1199063012.db2.gz ONNKSTYMGAIYTC-NSHDSACASA-N 0 0 338.367 2.244 20 10 EECDRN CCNC(=O)[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000814383891 1199464449 /nfs/dbraw/zinc/46/44/49/1199464449.db2.gz XIYQBONKSRRKAI-CJNGLKHVSA-N 0 0 334.464 2.274 20 10 EECDRN Cc1ncc2n1CC[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C2 ZINC000810411707 1199497901 /nfs/dbraw/zinc/49/79/01/1199497901.db2.gz SKLZQVQQQXRKER-HNNXBMFYSA-N 0 0 326.444 2.445 20 10 EECDRN COC(=O)c1ccc(-c2nnn(Cc3ccc(N(C)C)cc3)n2)cc1 ZINC000814751600 1199713950 /nfs/dbraw/zinc/71/39/50/1199713950.db2.gz OJLJJFRZCXCQLZ-UHFFFAOYSA-N 0 0 337.383 2.241 20 10 EECDRN Cc1cc(N(C)C)ccc1CNc1csc(S(N)(=O)=O)c1 ZINC000877779045 1200096222 /nfs/dbraw/zinc/09/62/22/1200096222.db2.gz XAZBHXKQKIFJQX-UHFFFAOYSA-N 0 0 325.459 2.382 20 10 EECDRN C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)S1(=O)=O ZINC000811795122 1200312050 /nfs/dbraw/zinc/31/20/50/1200312050.db2.gz FEBGQNXPSRMFEM-RYUDHWBXSA-N 0 0 341.473 2.403 20 10 EECDRN COCC1(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)CCC1 ZINC000870165436 1200530500 /nfs/dbraw/zinc/53/05/00/1200530500.db2.gz BVHHXTNSOFKQMD-UHFFFAOYSA-N 0 0 348.443 2.169 20 10 EECDRN 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CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000973390146 682553561 /nfs/dbraw/zinc/55/35/61/682553561.db2.gz DXHGKFMGOXPSNZ-JOCQHMNTSA-N 0 0 345.403 2.272 20 10 EECDRN Cc1cnc2c(cnn2CC(=O)NCCCSc2nccs2)c1 ZINC000894800350 683098377 /nfs/dbraw/zinc/09/83/77/683098377.db2.gz LWVAEXHVGHKQHM-UHFFFAOYSA-N 0 0 347.469 2.495 20 10 EECDRN COc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000122367664 683218892 /nfs/dbraw/zinc/21/88/92/683218892.db2.gz XQTPXYCPFLQAJU-UHFFFAOYSA-N 0 0 332.331 2.137 20 10 EECDRN C[C@@H](NC(=O)N1CC(=O)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400360 683559568 /nfs/dbraw/zinc/55/95/68/683559568.db2.gz JLSNLEZLKFYBIC-LSDHHAIUSA-N 0 0 345.443 2.347 20 10 EECDRN Cc1cc(N(C)C)ccc1CN1CC[S@](=O)C[C@H]1c1cnn(C)c1 ZINC000895381757 684566586 /nfs/dbraw/zinc/56/65/86/684566586.db2.gz WHFFYAHFDBUJTP-UUOWRZLLSA-N 0 0 346.500 2.100 20 10 EECDRN Cc1cc(C(=O)N[C@H]2C(=O)NCC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000195170604 684998317 /nfs/dbraw/zinc/99/83/17/684998317.db2.gz 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CC[C@H](C)N1CC[C@@]2(CCCN2C(=O)c2ccc(O)c(O)c2)C1=O ZINC001269954079 1184743346 /nfs/dbraw/zinc/74/33/46/1184743346.db2.gz FUUBZUKOJVACKK-SGTLLEGYSA-N 0 0 332.400 2.103 20 10 EECDRN CC(C)Oc1ccc(CNC(=O)NCCc2ccc(N)cc2)cn1 ZINC000841702053 1187430690 /nfs/dbraw/zinc/43/06/90/1187430690.db2.gz WROLWMDZQHNXQR-UHFFFAOYSA-N 0 0 328.416 2.493 20 10 EECDRN O=C(c1cccnc1)N1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142527379 1188227942 /nfs/dbraw/zinc/22/79/42/1188227942.db2.gz SPEFISNEHKFMPG-UHFFFAOYSA-N 0 0 333.338 2.023 20 10 EECDRN O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1c(O)cccc1Cl ZINC001273108270 1194391805 /nfs/dbraw/zinc/39/18/05/1194391805.db2.gz NQEWESXEQJAAOW-QGZVFWFLSA-N 0 0 336.819 2.011 20 10 EECDRN C[C@@H](NC(=O)N[C@]1(C)CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000123593789 1197693247 /nfs/dbraw/zinc/69/32/47/1197693247.db2.gz SGSQCJZSFGGTBS-RDTXWAMCSA-N 0 0 333.432 2.062 20 10 EECDRN COc1cc(NS(=O)(=O)c2ccc(F)c(OC)c2)ccc1O ZINC000797819792 1197819005 /nfs/dbraw/zinc/81/90/05/1197819005.db2.gz 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C[C@H](NC(=O)N[C@@H](CO)C[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000884276123 1202281706 /nfs/dbraw/zinc/28/17/06/1202281706.db2.gz FXVBQTBCYSVOIN-YSVLISHTSA-N 0 0 335.448 2.043 20 10 EECDRN CCOC(=O)C(C)(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000134858595 1202326736 /nfs/dbraw/zinc/32/67/36/1202326736.db2.gz AHYRNGOUQOUMGP-AWEZNQCLSA-N 0 0 348.443 2.290 20 10 EECDRN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885940791 1202457768 /nfs/dbraw/zinc/45/77/68/1202457768.db2.gz RCCZMZIBBLRBQQ-UHFFFAOYSA-N 0 0 342.399 2.458 20 10 EECDRN OCC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000886369487 1202497967 /nfs/dbraw/zinc/49/79/67/1202497967.db2.gz HNGXLMRAAIJBTB-HNNXBMFYSA-N 0 0 332.366 2.051 20 10 EECDRN CCN(C)c1ccc(Cn2cc(CN3C[C@@H](C)O[C@@H](C)C3)nn2)cc1 ZINC000887548711 1204337422 /nfs/dbraw/zinc/33/74/22/1204337422.db2.gz HQBUUPPUTCNEIN-IYBDPMFKSA-N 0 0 343.475 2.392 20 10 EECDRN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2[O-])N1C1COC1 ZINC001274234697 1204969858 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