smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000826158744 947500844 /nfs/dbraw/zinc/50/08/44/947500844.db2.gz ATILZQPTRLETDT-UHFFFAOYSA-N 0 1 391.834 3.013 20 10 GGCDMN O=C([O-])[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1c1ccccc1 ZINC001595191494 952285525 /nfs/dbraw/zinc/28/55/25/952285525.db2.gz RUSZTKNVWWZHIQ-UONOGXRCSA-N 0 1 376.250 3.455 20 10 GGCDMN CCN(Cc1ccccc1)c1ccc(CNC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000874048463 956112675 /nfs/dbraw/zinc/11/26/75/956112675.db2.gz SLBUPKCMMFMTFQ-UHFFFAOYSA-N 0 1 381.520 3.352 20 10 GGCDMN CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC000874048463 956112680 /nfs/dbraw/zinc/11/26/80/956112680.db2.gz SLBUPKCMMFMTFQ-UHFFFAOYSA-N 0 1 381.520 3.352 20 10 GGCDMN O=C([O-])/C=C/c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000844213311 979372515 /nfs/dbraw/zinc/37/25/15/979372515.db2.gz WSIPEVWFXOVIHG-YUVOTWOWSA-N 0 1 393.443 3.261 20 10 GGCDMN COC1CCN(c2ccc(C[N@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])cc2)CC1 ZINC000846273927 979439898 /nfs/dbraw/zinc/43/98/98/979439898.db2.gz BCFPLRXMLGGLNA-JOCHJYFZSA-N 0 1 380.488 3.486 20 10 GGCDMN COC1CCN(c2ccc(C[N@H+]3CCc4ccccc4[C@H]3C(=O)[O-])cc2)CC1 ZINC000846273929 979439994 /nfs/dbraw/zinc/43/99/94/979439994.db2.gz BCFPLRXMLGGLNA-QFIPXVFZSA-N 0 1 380.488 3.486 20 10 GGCDMN Cc1cc(C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1N1CCCCC1 ZINC000846280241 979448765 /nfs/dbraw/zinc/44/87/65/979448765.db2.gz VXYCGKUVZUEVJR-SFHVURJKSA-N 0 1 383.496 3.112 20 10 GGCDMN COc1cc(C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC(=O)[O-])cc(OC)c1 ZINC000901609456 980403757 /nfs/dbraw/zinc/40/37/57/980403757.db2.gz IJKVIGVCRBSOQC-AATRIKPKSA-N 0 1 384.476 3.370 20 10 GGCDMN COc1cc(C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC(=O)[O-])cc(OC)c1 ZINC000901609457 980403816 /nfs/dbraw/zinc/40/38/16/980403816.db2.gz IJKVIGVCRBSOQC-WAYWQWQTSA-N 0 1 384.476 3.370 20 10 GGCDMN CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000902031066 980701540 /nfs/dbraw/zinc/70/15/40/980701540.db2.gz HEZAZCKEPLTUEH-RBBKRZOGSA-N 0 1 380.488 3.313 20 10 GGCDMN CN1CCN(c2ccc(C[N@@H+]3[C@H](C(=O)[O-])CC[C@H]3c3ccccc3)cc2)CC1 ZINC000902045586 980712258 /nfs/dbraw/zinc/71/22/58/980712258.db2.gz DMWUNHHCPOQHMA-VXKWHMMOSA-N 0 1 379.504 3.229 20 10 GGCDMN CN1CCN(c2ccc(C[N@H+]3[C@H](C(=O)[O-])CC[C@H]3c3ccccc3)cc2)CC1 ZINC000902045586 980712264 /nfs/dbraw/zinc/71/22/64/980712264.db2.gz DMWUNHHCPOQHMA-VXKWHMMOSA-N 0 1 379.504 3.229 20 10 GGCDMN CCOCCC[N@@H+](Cc1cc(C)cc(Br)c1O)C[C@@H](C)C(=O)[O-] ZINC001596915055 985938418 /nfs/dbraw/zinc/93/84/18/985938418.db2.gz QYKCHOXDVDIQJB-CYBMUJFWSA-N 0 1 388.302 3.412 20 10 GGCDMN CCOCCC[N@H+](Cc1cc(C)cc(Br)c1O)C[C@@H](C)C(=O)[O-] ZINC001596915055 985938428 /nfs/dbraw/zinc/93/84/28/985938428.db2.gz QYKCHOXDVDIQJB-CYBMUJFWSA-N 0 1 388.302 3.412 20 10 GGCDMN CC(=O)c1cc(Cl)cc(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])c1[O-] ZINC001589268575 985955283 /nfs/dbraw/zinc/95/52/83/985955283.db2.gz VQJIALLJPDPVFQ-QGZVFWFLSA-N 0 1 375.808 3.269 20 10 GGCDMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CC12CC(C(=O)[O-])C2 ZINC001589867600 988490189 /nfs/dbraw/zinc/49/01/89/988490189.db2.gz YNPFVVRAEAYONG-KLSXAPCHSA-N 0 1 395.883 3.300 20 10 GGCDMN CN(C)c1ccc(C[N@H+](CC(=O)N(C)c2ccccc2C(=O)[O-])C2CC2)cc1 ZINC001598317987 991310468 /nfs/dbraw/zinc/31/04/68/991310468.db2.gz UBVHINVKVDLMJO-UHFFFAOYSA-N 0 1 381.476 3.078 20 10 GGCDMN CN(C)c1ccc(C[N@@H+](CC(=O)N(C)c2ccccc2C(=O)[O-])C2CC2)cc1 ZINC001598317987 991310477 /nfs/dbraw/zinc/31/04/77/991310477.db2.gz UBVHINVKVDLMJO-UHFFFAOYSA-N 0 1 381.476 3.078 20 10 GGCDMN CN(CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC001598477921 992104283 /nfs/dbraw/zinc/10/42/83/992104283.db2.gz HLUKTKZTOUNLNX-UHFFFAOYSA-N 0 1 386.876 3.189 20 10 GGCDMN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501851 992445123 /nfs/dbraw/zinc/44/51/23/992445123.db2.gz NMCCBBNQOZKGRB-IBHIWXBSSA-N 0 1 395.459 3.446 20 10 GGCDMN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H](COC1CCC1)C(=O)[O-] ZINC001598524837 992706389 /nfs/dbraw/zinc/70/63/89/992706389.db2.gz KMSNJKOLWYGPMX-HXUWFJFHSA-N 0 1 385.460 3.425 20 10 GGCDMN CC(C)[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591560965 992760402 /nfs/dbraw/zinc/76/04/02/992760402.db2.gz BCMPSGSVONRYFD-UHFFFAOYSA-N 0 1 375.494 3.361 20 10 GGCDMN C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298818 994716451 /nfs/dbraw/zinc/71/64/51/994716451.db2.gz NCEWIYRBYRTJRB-MRXNPFEDSA-N 0 1 383.492 3.361 20 10 GGCDMN C[C@@H](Oc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1)C(=O)[O-] ZINC001593617947 995855399 /nfs/dbraw/zinc/85/53/99/995855399.db2.gz RIJKPYVSCHOHCN-LLVKDONJSA-N 0 1 380.238 3.296 20 10 GGCDMN COc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c(O)c1OC ZINC001599561809 998211283 /nfs/dbraw/zinc/21/12/83/998211283.db2.gz OEVMPFYREVEGNM-GFCCVEGCSA-N 0 1 378.450 3.210 20 10 GGCDMN C[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC001594288102 999115480 /nfs/dbraw/zinc/11/54/80/999115480.db2.gz ZZFZHBITMMKUCD-HLFMIMNKSA-N 0 1 385.460 3.402 20 10 GGCDMN C[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC001594288100 999115532 /nfs/dbraw/zinc/11/55/32/999115532.db2.gz ZZFZHBITMMKUCD-DOQJBMMISA-N 0 1 385.460 3.402 20 10 GGCDMN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2ccn[nH]2)C(=O)[O-])cc1 ZINC000900058475 1126128535 /nfs/dbraw/zinc/12/85/35/1126128535.db2.gz DANQOFQJJBBCSL-NRFANRHFSA-N 0 1 378.476 3.222 20 10 GGCDMN COc1ccc(N2CCN(CCCNc3ncnc4sccc43)CC2)cc1 ZINC000007366826 204240225 /nfs/dbraw/zinc/24/02/25/204240225.db2.gz FWAKSUNFFPRUPB-UHFFFAOYSA-N 0 1 383.521 3.324 20 10 GGCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000095997432 564900354 /nfs/dbraw/zinc/90/03/54/564900354.db2.gz RDUGKLRSOSJITE-UHFFFAOYSA-N 0 1 376.217 3.286 20 10 GGCDMN CS(=O)(=O)C[C@H](NCc1cc(Br)ccc1O)c1ccccc1 ZINC000154998844 565059046 /nfs/dbraw/zinc/05/90/46/565059046.db2.gz TVZYFIVYGMNGQM-HNNXBMFYSA-N 0 1 384.295 3.030 20 10 GGCDMN CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Br)ccc1[O-] ZINC000156764657 565105407 /nfs/dbraw/zinc/10/54/07/565105407.db2.gz ZUWHWGUSSRJHEM-INIZCTEOSA-N 0 1 399.329 3.223 20 10 GGCDMN Cc1nc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1 ZINC000158064592 565154445 /nfs/dbraw/zinc/15/44/45/565154445.db2.gz UZOIXLPRRLIRPP-OAHLLOKOSA-N 0 1 379.913 3.134 20 10 GGCDMN C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Br)cc1[O-] ZINC000184986553 565169114 /nfs/dbraw/zinc/16/91/14/565169114.db2.gz YJEFKWZHMDLXJI-CYBMUJFWSA-N 0 1 392.297 3.237 20 10 GGCDMN C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000184986038 565169423 /nfs/dbraw/zinc/16/94/23/565169423.db2.gz VYJLEJUTIOIGPU-ZDUSSCGKSA-N 0 1 392.297 3.237 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269023253 565175602 /nfs/dbraw/zinc/17/56/02/565175602.db2.gz JDMQXZWKGGGAOC-AWEZNQCLSA-N 0 1 393.285 3.487 20 10 GGCDMN COc1cc(Br)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000372413365 565236707 /nfs/dbraw/zinc/23/67/07/565236707.db2.gz KQKUTCIVQKIOBC-HNNXBMFYSA-N 0 1 397.313 3.140 20 10 GGCDMN Cc1cc(Br)cc(CN[C@@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295015583 565240876 /nfs/dbraw/zinc/24/08/76/565240876.db2.gz JZYDCYSOFSZNOE-HNNXBMFYSA-N 0 1 382.302 3.046 20 10 GGCDMN COC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000271731533 565265923 /nfs/dbraw/zinc/26/59/23/565265923.db2.gz NCLOGCXLLQIOKL-SECBINFHSA-N 0 1 379.092 3.386 20 10 GGCDMN OC1CCN(c2ccc(CNCc3cncc(Br)c3)cc2F)CC1 ZINC000186603751 565270675 /nfs/dbraw/zinc/27/06/75/565270675.db2.gz GOTLWDRWHDGCNG-UHFFFAOYSA-N 0 1 394.288 3.234 20 10 GGCDMN Fc1cc(CNCc2cncc(Br)c2)ccc1N1CCOCC1 ZINC000186595018 565271242 /nfs/dbraw/zinc/27/12/42/565271242.db2.gz KCFAWCITUWFHIT-UHFFFAOYSA-N 0 1 380.261 3.110 20 10 GGCDMN COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000273305037 565316811 /nfs/dbraw/zinc/31/68/11/565316811.db2.gz CNYFSMYHIKLCQM-LBPRGKRZSA-N 0 1 381.270 3.426 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000273374849 565319163 /nfs/dbraw/zinc/31/91/63/565319163.db2.gz HAGXBNBWQBYHTM-LLVKDONJSA-N 0 1 399.310 3.377 20 10 GGCDMN COCCOC1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCOCC1 ZINC000296504503 565320435 /nfs/dbraw/zinc/32/04/35/565320435.db2.gz PFSLWRFTWZJYNG-CYBMUJFWSA-N 0 1 388.302 3.018 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1[O-] ZINC000273437459 565321520 /nfs/dbraw/zinc/32/15/20/565321520.db2.gz XJXMKLJZUUTDPS-CYBMUJFWSA-N 0 1 392.297 3.237 20 10 GGCDMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000273533178 565324778 /nfs/dbraw/zinc/32/47/78/565324778.db2.gz WTMBBOQCFNEGIA-YLQAJVPDSA-N 0 1 380.282 3.290 20 10 GGCDMN C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000273533167 565324870 /nfs/dbraw/zinc/32/48/70/565324870.db2.gz WTMBBOQCFNEGIA-MJEQTWJJSA-N 0 1 380.282 3.290 20 10 GGCDMN C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(Br)cc1[O-] ZINC000297245706 565363841 /nfs/dbraw/zinc/36/38/41/565363841.db2.gz IWWUQIKNBZDXCP-DCBWTQNWSA-N 0 1 390.343 3.409 20 10 GGCDMN C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(Br)cc1[O-] ZINC000297245709 565364218 /nfs/dbraw/zinc/36/42/18/565364218.db2.gz IWWUQIKNBZDXCP-LKSINWNRSA-N 0 1 390.343 3.409 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000376821581 565455717 /nfs/dbraw/zinc/45/57/17/565455717.db2.gz YNSBVOSNHJDKHA-ZDUSSCGKSA-N 0 1 385.251 3.396 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)cn1 ZINC000171971149 565460788 /nfs/dbraw/zinc/46/07/88/565460788.db2.gz RCOMGBHRYLNHDZ-UHFFFAOYSA-N 0 1 376.298 3.313 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc2c1OCC(=O)N2 ZINC000377796100 565499772 /nfs/dbraw/zinc/49/97/72/565499772.db2.gz LCWFHLSQCCPVCX-UHFFFAOYSA-N 0 1 382.203 3.352 20 10 GGCDMN O=C(CCc1cscn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378176618 565515181 /nfs/dbraw/zinc/51/51/81/565515181.db2.gz YZSCXBCFZUMZBB-OAHLLOKOSA-N 0 1 379.913 3.216 20 10 GGCDMN CC(=O)N(c1nc(CNCc2cccc(Br)c2O)cs1)C1CC1 ZINC000278386689 565555189 /nfs/dbraw/zinc/55/51/89/565555189.db2.gz MHQQUQSJYOPKDP-UHFFFAOYSA-N 0 1 396.310 3.416 20 10 GGCDMN CCN(Cc1cc(=O)n2ccsc2n1)Cc1cc(Br)ccc1O ZINC000173992620 565605608 /nfs/dbraw/zinc/60/56/08/565605608.db2.gz JZMWBYIEVUXYBL-UHFFFAOYSA-N 0 1 394.294 3.246 20 10 GGCDMN CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000324375941 565617801 /nfs/dbraw/zinc/61/78/01/565617801.db2.gz MBEBKNWESCUHAH-HOTGVXAUSA-N 0 1 394.313 3.462 20 10 GGCDMN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Br)cc1[O-] ZINC000285553884 565914007 /nfs/dbraw/zinc/91/40/07/565914007.db2.gz FFKNBKXTAFNSMC-LLVKDONJSA-N 0 1 376.316 3.163 20 10 GGCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000363862967 566024340 /nfs/dbraw/zinc/02/43/40/566024340.db2.gz ZUCSGWJBPBIWNO-IAQYHMDHSA-N 0 1 380.286 3.072 20 10 GGCDMN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1[O-] ZINC000363854005 566024812 /nfs/dbraw/zinc/02/48/12/566024812.db2.gz LMLVRBGYWAMDED-NHYWBVRUSA-N 0 1 380.286 3.072 20 10 GGCDMN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000363862966 566024892 /nfs/dbraw/zinc/02/48/92/566024892.db2.gz ZUCSGWJBPBIWNO-ABAIWWIYSA-N 0 1 380.286 3.072 20 10 GGCDMN CN1C(=O)C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000366220405 566141971 /nfs/dbraw/zinc/14/19/71/566141971.db2.gz UIPAFFIJGAREIN-CYBMUJFWSA-N 0 1 379.243 3.466 20 10 GGCDMN Cc1cccc(CN2CCC(O)(c3scnc3Br)CC2)c1O ZINC000366768363 566168755 /nfs/dbraw/zinc/16/87/55/566168755.db2.gz HJPMHKCQCWLWNR-UHFFFAOYSA-N 0 1 383.311 3.403 20 10 GGCDMN CN(C)c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1F ZINC000263952227 566202071 /nfs/dbraw/zinc/20/20/71/566202071.db2.gz ZHKHLXUGJPYTLP-LFIBNONCSA-N 0 1 379.526 3.187 20 10 GGCDMN O=C(NCCc1cn2c(n1)CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000367753884 566214345 /nfs/dbraw/zinc/21/43/45/566214345.db2.gz TWSYKRCKZGMVDK-UHFFFAOYSA-N 0 1 383.279 3.274 20 10 GGCDMN COc1ccc(N2CCN(CCCNc3ncnc4ccsc43)CC2)cc1 ZINC000028620069 570461998 /nfs/dbraw/zinc/46/19/98/570461998.db2.gz FHKIHIWPEAAEPQ-UHFFFAOYSA-N 0 1 383.521 3.324 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccc(C)c3C)CC2)cc1 ZINC000032765938 570802924 /nfs/dbraw/zinc/80/29/24/570802924.db2.gz GVURMWXMGWIBML-UHFFFAOYSA-N 0 1 381.520 3.254 20 10 GGCDMN COc1ccccc1C[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000738132960 599809715 /nfs/dbraw/zinc/80/97/15/599809715.db2.gz HYOCZJUPNIPOAQ-CLFYSBASSA-N 0 1 397.431 3.023 20 10 GGCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736280993 600077761 /nfs/dbraw/zinc/07/77/61/600077761.db2.gz JNFRRISOBWXTQG-AWEZNQCLSA-N 0 1 386.448 3.343 20 10 GGCDMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000739623630 600148861 /nfs/dbraw/zinc/14/88/61/600148861.db2.gz FIMQNKGKOVIKET-UNOMPAQXSA-N 0 1 390.505 3.028 20 10 GGCDMN CC(C)n1ncc2cc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)cnc21 ZINC000736540140 600314154 /nfs/dbraw/zinc/31/41/54/600314154.db2.gz UHZBPXLAYOUATK-UHFFFAOYSA-N 0 1 388.855 3.458 20 10 GGCDMN O=C([O-])C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1cc(Cl)ccc1O ZINC000739785129 600315481 /nfs/dbraw/zinc/31/54/81/600315481.db2.gz LLQHSYGXQUGGMB-UHFFFAOYSA-N 0 1 380.803 3.100 20 10 GGCDMN O=C([O-])C[N@@H+](Cc1cncc(Br)c1)Cc1cc(Cl)ccc1O ZINC000739799531 600315662 /nfs/dbraw/zinc/31/56/62/600315662.db2.gz UKSUKOBXGQAUSE-UHFFFAOYSA-N 0 1 385.645 3.290 20 10 GGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000740096580 600498790 /nfs/dbraw/zinc/49/87/90/600498790.db2.gz KEKNWBDRWWTVLY-INIZCTEOSA-N 0 1 382.460 3.221 20 10 GGCDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738217283 600611267 /nfs/dbraw/zinc/61/12/67/600611267.db2.gz UWOWPHXBAYBOTM-SIJIIQCFSA-N 0 1 381.432 3.403 20 10 GGCDMN COC[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737755802 600614206 /nfs/dbraw/zinc/61/42/06/600614206.db2.gz ZXZSZILKAYTSNW-QGZVFWFLSA-N 0 1 384.476 3.333 20 10 GGCDMN COC[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737755802 600614207 /nfs/dbraw/zinc/61/42/07/600614207.db2.gz ZXZSZILKAYTSNW-QGZVFWFLSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)C[N@H+](C)C[C@@H]2CCCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859783 600821927 /nfs/dbraw/zinc/82/19/27/600821927.db2.gz WSSFYEUJDLRNTK-KRWDZBQOSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+](C)C[C@@H]2CCCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859783 600821929 /nfs/dbraw/zinc/82/19/29/600821929.db2.gz WSSFYEUJDLRNTK-KRWDZBQOSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738318480 600956422 /nfs/dbraw/zinc/95/64/22/600956422.db2.gz KRNNRLKDKQULFT-KRWDZBQOSA-N 0 1 384.476 3.069 20 10 GGCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738318480 600956424 /nfs/dbraw/zinc/95/64/24/600956424.db2.gz KRNNRLKDKQULFT-KRWDZBQOSA-N 0 1 384.476 3.069 20 10 GGCDMN Cc1c(F)cccc1NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000832854926 601006724 /nfs/dbraw/zinc/00/67/24/601006724.db2.gz XFFATOSQFAQAON-UHFFFAOYSA-N 0 1 394.830 3.409 20 10 GGCDMN CC[N@@H+](C)C[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000829613379 601041246 /nfs/dbraw/zinc/04/12/46/601041246.db2.gz JNKHPVIKPMUPMF-GOSISDBHSA-N 0 1 397.519 3.249 20 10 GGCDMN CCOC[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000829990315 601379450 /nfs/dbraw/zinc/37/94/50/601379450.db2.gz UKZSXGCGTDZHJZ-KRWDZBQOSA-N 0 1 384.476 3.333 20 10 GGCDMN CCOC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000829990315 601379453 /nfs/dbraw/zinc/37/94/53/601379453.db2.gz UKZSXGCGTDZHJZ-KRWDZBQOSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2CCCO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832860048 601595593 /nfs/dbraw/zinc/59/55/93/601595593.db2.gz YCPXTSDZSJLBRW-GOSISDBHSA-N 0 1 384.476 3.212 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccc1 ZINC000832859029 601599035 /nfs/dbraw/zinc/59/90/35/601599035.db2.gz NTOVALYUXVJKHR-UHFFFAOYSA-N 0 1 384.476 3.233 20 10 GGCDMN COc1cc(Br)cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1O ZINC000831861275 604463060 /nfs/dbraw/zinc/46/30/60/604463060.db2.gz SLWRQIFGLKVSPR-HNNXBMFYSA-N 0 1 392.249 3.175 20 10 GGCDMN C[C@@H](Oc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537573 604519641 /nfs/dbraw/zinc/51/96/41/604519641.db2.gz LSGOSSHBSACMGP-OXQOHEQNSA-N 0 1 385.460 3.425 20 10 GGCDMN COc1cc(Br)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1O ZINC000831861363 604680944 /nfs/dbraw/zinc/68/09/44/604680944.db2.gz WXOPBPLWKBTIDC-SWHYSGLUSA-N 0 1 384.270 3.381 20 10 GGCDMN O=C([O-])c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000833310992 604916280 /nfs/dbraw/zinc/91/62/80/604916280.db2.gz SHXNHKJXFCBKMW-KRWDZBQOSA-N 0 1 388.851 3.138 20 10 GGCDMN COc1cc(O)c(C[N@@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1OC ZINC000833728988 605231687 /nfs/dbraw/zinc/23/16/87/605231687.db2.gz NOSVXEUNPCZBRM-UHFFFAOYSA-N 0 1 382.416 3.147 20 10 GGCDMN COc1cc(O)c(C[N@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1OC ZINC000833728988 605231688 /nfs/dbraw/zinc/23/16/88/605231688.db2.gz NOSVXEUNPCZBRM-UHFFFAOYSA-N 0 1 382.416 3.147 20 10 GGCDMN COc1cc(O)c(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1OC ZINC000833729794 605247294 /nfs/dbraw/zinc/24/72/94/605247294.db2.gz OYKMOWVGUPZVQA-KRWDZBQOSA-N 0 1 385.338 3.084 20 10 GGCDMN C[C@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000820432003 606996243 /nfs/dbraw/zinc/99/62/43/606996243.db2.gz JXSYHWURBMNHHR-AWEZNQCLSA-N 0 1 398.898 3.208 20 10 GGCDMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000824530176 609328625 /nfs/dbraw/zinc/32/86/25/609328625.db2.gz JPUTYRNDZFUGGJ-GJZGRUSLSA-N 0 1 396.470 3.254 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N3CCCCCCC3)CC2)cc1 ZINC000053999562 1406584142 /nfs/dbraw/zinc/58/41/42/1406584142.db2.gz XXBJVBCLOIMGPW-UHFFFAOYSA-N 0 1 388.556 3.183 20 10 GGCDMN O=C(C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1)N1CCOCC1 ZINC000054452531 1406741882 /nfs/dbraw/zinc/74/18/82/1406741882.db2.gz KHKFZVQVEVKALQ-UHFFFAOYSA-N 0 1 398.503 3.088 20 10 GGCDMN Cc1cc(O)c(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1C ZINC000054548428 1406766552 /nfs/dbraw/zinc/76/65/52/1406766552.db2.gz YPUANWGPIWSEFJ-UHFFFAOYSA-N 0 1 377.488 3.377 20 10 GGCDMN COc1ccc2nc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)[nH]c2c1 ZINC000007219939 1398632450 /nfs/dbraw/zinc/63/24/50/1398632450.db2.gz NHDBUTLHSGTECY-UHFFFAOYSA-N 0 1 384.505 3.388 20 10 GGCDMN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N(C)C)cc1 ZINC000007362175 1398660704 /nfs/dbraw/zinc/66/07/04/1398660704.db2.gz VAHKXKYQGUODMI-UHFFFAOYSA-N 0 1 396.535 3.050 20 10 GGCDMN C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571727 1399172600 /nfs/dbraw/zinc/17/26/00/1399172600.db2.gz HPKOHLRKQBULET-OALUTQOASA-N 0 1 393.531 3.321 20 10 GGCDMN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571725 1399173119 /nfs/dbraw/zinc/17/31/19/1399173119.db2.gz HPKOHLRKQBULET-RBUKOAKNSA-N 0 1 393.531 3.321 20 10 GGCDMN O=S(=O)(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc2nsnc21 ZINC000055631629 1407030968 /nfs/dbraw/zinc/03/09/68/1407030968.db2.gz WKMRWYIBXLVPNZ-AWEZNQCLSA-N 0 1 391.474 3.050 20 10 GGCDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)NCc3ccc(N(C)C)cc3)n2)o1 ZINC000023231861 1399542169 /nfs/dbraw/zinc/54/21/69/1399542169.db2.gz NEABRCMACZQMPA-ZHACJKMWSA-N 0 1 397.504 3.351 20 10 GGCDMN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(O)ccc2ccc(OC)cc21 ZINC000024606995 1399648258 /nfs/dbraw/zinc/64/82/58/1399648258.db2.gz LVUXNBZGLZPHDX-NRFANRHFSA-N 0 1 376.456 3.227 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000025076742 1399736010 /nfs/dbraw/zinc/73/60/10/1399736010.db2.gz NEBHKEQGFAOAMI-UHFFFAOYSA-N 0 1 394.450 3.325 20 10 GGCDMN Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000055679133 1407053271 /nfs/dbraw/zinc/05/32/71/1407053271.db2.gz QAPARKCPFZCGHP-UHFFFAOYSA-N 0 1 383.473 3.181 20 10 GGCDMN O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000026612869 1399907298 /nfs/dbraw/zinc/90/72/98/1399907298.db2.gz PLTYWQDPNNGMJS-UHFFFAOYSA-N 0 1 390.439 3.232 20 10 GGCDMN COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)cc(C)c3C)CC2)cc1 ZINC000026780591 1399933197 /nfs/dbraw/zinc/93/31/97/1399933197.db2.gz RCHVTEUUTRVHOH-OAQYLSRUSA-N 0 1 384.520 3.182 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3F)CC2)cc1 ZINC000028798457 1400197759 /nfs/dbraw/zinc/19/77/59/1400197759.db2.gz VMVYCPGSCRCVOD-UHFFFAOYSA-N 0 1 386.471 3.168 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000043047799 1403696828 /nfs/dbraw/zinc/69/68/28/1403696828.db2.gz PVBNMGYYCXOKPC-WIYYLYMNSA-N 0 1 388.556 3.085 20 10 GGCDMN COc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)N2CCCC2)cc1 ZINC000043110186 1403710421 /nfs/dbraw/zinc/71/04/21/1403710421.db2.gz BDYBAGIJNIIIKS-FQEVSTJZSA-N 0 1 383.492 3.379 20 10 GGCDMN C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000045543910 1404143364 /nfs/dbraw/zinc/14/33/64/1404143364.db2.gz KTNKECBGYUFLKU-SFHVURJKSA-N 0 1 380.536 3.341 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000045578542 1404151323 /nfs/dbraw/zinc/15/13/23/1404151323.db2.gz BAKLVVPEBDJHNP-UHFFFAOYSA-N 0 1 396.535 3.049 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)CCCc3ccccc3)CC2)cc1 ZINC000046786705 1404590690 /nfs/dbraw/zinc/59/06/90/1404590690.db2.gz HJAAUMLWIMJPKA-UHFFFAOYSA-N 0 1 395.547 3.346 20 10 GGCDMN COc1cc2c(cc1CNCc1ccc(N3CCOCC3)c(F)c1)O[C@@H](C)C2 ZINC000048748729 1405280792 /nfs/dbraw/zinc/28/07/92/1405280792.db2.gz MGOVWXSGDUXPOT-HNNXBMFYSA-N 0 1 386.467 3.284 20 10 GGCDMN COc1ccc(N2CCCN(CC(=O)N(C)Cc3ccccc3F)CC2)cc1 ZINC000052465426 1406058887 /nfs/dbraw/zinc/05/88/87/1406058887.db2.gz GUKMTVKNPUFHEF-UHFFFAOYSA-N 0 1 385.483 3.005 20 10 GGCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000052466342 1406059991 /nfs/dbraw/zinc/05/99/91/1406059991.db2.gz GTVRTUPXNQVXLO-LJQANCHMSA-N 0 1 393.531 3.181 20 10 GGCDMN O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000057104648 1407521277 /nfs/dbraw/zinc/52/12/77/1407521277.db2.gz WQBVSOWVIFIOEU-UHFFFAOYSA-N 0 1 388.851 3.122 20 10 GGCDMN CN(C)c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1F ZINC000057646996 1407676407 /nfs/dbraw/zinc/67/64/07/1407676407.db2.gz JOOCKNXNZFNXSN-LJQANCHMSA-N 0 1 376.451 3.133 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000738401511 1428301330 /nfs/dbraw/zinc/30/13/30/1428301330.db2.gz TZSNACHLMGOBHU-UHFFFAOYSA-N 0 1 379.464 3.396 20 10 GGCDMN Oc1ccccc1C[N@H+](CCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000738401511 1428301335 /nfs/dbraw/zinc/30/13/35/1428301335.db2.gz TZSNACHLMGOBHU-UHFFFAOYSA-N 0 1 379.464 3.396 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000738401511 1428301343 /nfs/dbraw/zinc/30/13/43/1428301343.db2.gz TZSNACHLMGOBHU-UHFFFAOYSA-N 0 1 379.464 3.396 20 10 GGCDMN Cc1cc(C(=O)NCCN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000063696020 1408393124 /nfs/dbraw/zinc/39/31/24/1408393124.db2.gz PNVGMORLYBPWCT-UHFFFAOYSA-N 0 1 382.552 3.195 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3)SC2=S)CC1 ZINC000063823928 1408421107 /nfs/dbraw/zinc/42/11/07/1408421107.db2.gz JCDDMDJIDQDWLX-WQRHYEAKSA-N 0 1 398.557 3.227 20 10 GGCDMN COc1ccc2ccc(O)c(CN3CCN(Cc4c(C)noc4C)CC3)c2c1 ZINC000064111656 1408485568 /nfs/dbraw/zinc/48/55/68/1408485568.db2.gz YMRXZQYYHUPEAH-UHFFFAOYSA-N 0 1 381.476 3.477 20 10 GGCDMN NC(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000066940613 1408958913 /nfs/dbraw/zinc/95/89/13/1408958913.db2.gz AZWHVFYRNUJUNY-GOSISDBHSA-N 0 1 393.409 3.212 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000738400792 1428375095 /nfs/dbraw/zinc/37/50/95/1428375095.db2.gz JPFJAMCYACASAI-UHFFFAOYSA-N 0 1 379.464 3.396 20 10 GGCDMN Cc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176671320 1428399424 /nfs/dbraw/zinc/39/94/24/1428399424.db2.gz YHASYDYXIXOSLU-IBGZPJMESA-N 0 1 382.552 3.077 20 10 GGCDMN COc1ccc(CCC(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000068986533 1409538062 /nfs/dbraw/zinc/53/80/62/1409538062.db2.gz YUAMPZSNOYURIQ-UHFFFAOYSA-N 0 1 382.504 3.295 20 10 GGCDMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2C1 ZINC000069932116 1409727632 /nfs/dbraw/zinc/72/76/32/1409727632.db2.gz XJTMOANDQNIJDZ-MRXNPFEDSA-N 0 1 395.503 3.349 20 10 GGCDMN O=c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000070975919 1409809480 /nfs/dbraw/zinc/80/94/80/1409809480.db2.gz PYRFBEHBARTFSP-GOSISDBHSA-N 0 1 399.878 3.235 20 10 GGCDMN CN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976551 1409809669 /nfs/dbraw/zinc/80/96/69/1409809669.db2.gz BIIPUCNTIIUPJX-LJQANCHMSA-N 0 1 386.467 3.171 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000079399693 1409974625 /nfs/dbraw/zinc/97/46/25/1409974625.db2.gz GPENDVLYWDMRDI-AWEZNQCLSA-N 0 1 376.472 3.204 20 10 GGCDMN O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092149131 1410113451 /nfs/dbraw/zinc/11/34/51/1410113451.db2.gz MDLRTYVOQFAOKA-UHFFFAOYSA-N 0 1 395.868 3.363 20 10 GGCDMN O=C(c1ccsc1)N1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092149131 1410113454 /nfs/dbraw/zinc/11/34/54/1410113454.db2.gz MDLRTYVOQFAOKA-UHFFFAOYSA-N 0 1 395.868 3.363 20 10 GGCDMN Cc1cc(C(=O)N2CCN(Cc3cccc(Br)c3O)CC2)c(C)o1 ZINC000092185696 1410116901 /nfs/dbraw/zinc/11/69/01/1410116901.db2.gz QBWSVMYYOJQAEP-UHFFFAOYSA-N 0 1 393.281 3.323 20 10 GGCDMN COc1cccc(CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1O ZINC000092539066 1410170408 /nfs/dbraw/zinc/17/04/08/1410170408.db2.gz UBXKJQXPTAFSSE-UHFFFAOYSA-N 0 1 386.883 3.020 20 10 GGCDMN CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)nc1 ZINC000092644069 1410181539 /nfs/dbraw/zinc/18/15/39/1410181539.db2.gz FNQJSMCYMJJALL-UHFFFAOYSA-N 0 1 389.883 3.330 20 10 GGCDMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)nc1 ZINC000092644069 1410181552 /nfs/dbraw/zinc/18/15/52/1410181552.db2.gz FNQJSMCYMJJALL-UHFFFAOYSA-N 0 1 389.883 3.330 20 10 GGCDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Br)ccc3O)C2)nc1 ZINC000093534201 1410250967 /nfs/dbraw/zinc/25/09/67/1410250967.db2.gz GOEYUVYNBXDTCU-ZDUSSCGKSA-N 0 1 393.241 3.144 20 10 GGCDMN CCN(Cc1ccccc1)c1ccc(CN2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000093756065 1410263603 /nfs/dbraw/zinc/26/36/03/1410263603.db2.gz OYODCMVKYAXOEU-UHFFFAOYSA-N 0 1 388.515 3.365 20 10 GGCDMN COc1ccc(N2CCN(CCCNc3ncnc4ccc(F)cc43)CC2)cc1 ZINC000097497484 1410372658 /nfs/dbraw/zinc/37/26/58/1410372658.db2.gz FSSWPGLNMBOZCX-UHFFFAOYSA-N 0 1 395.482 3.402 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000098004004 1410394187 /nfs/dbraw/zinc/39/41/87/1410394187.db2.gz WRULUPYYUAUTLK-JYRVWZFOSA-N 0 1 379.504 3.037 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000103515625 1410865675 /nfs/dbraw/zinc/86/56/75/1410865675.db2.gz SBXBLVRFVNRUGW-YJBOKZPZSA-N 0 1 387.480 3.500 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000103608158 1410868587 /nfs/dbraw/zinc/86/85/87/1410868587.db2.gz XQCCDEVGFSDPAC-SCLBCKFNSA-N 0 1 375.444 3.203 20 10 GGCDMN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611761 1410869005 /nfs/dbraw/zinc/86/90/05/1410869005.db2.gz GWNBAIXCXXHXAQ-RHSMWYFYSA-N 0 1 375.469 3.437 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2F)CC1 ZINC000106584801 1411258537 /nfs/dbraw/zinc/25/85/37/1411258537.db2.gz YQBDTPUCYWVYJY-UHFFFAOYSA-N 0 1 382.483 3.193 20 10 GGCDMN CCN(Cc1ccoc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106584770 1411258763 /nfs/dbraw/zinc/25/87/63/1411258763.db2.gz YFJBEUVMERYMHR-UHFFFAOYSA-N 0 1 388.487 3.292 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccco3)cc2F)CC1 ZINC000106584816 1411258895 /nfs/dbraw/zinc/25/88/95/1411258895.db2.gz JKVGIIVJPPYZIP-MRXNPFEDSA-N 0 1 388.487 3.463 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@](C)(OC)c3ccccc3)cc2F)CC1 ZINC000106702289 1411280699 /nfs/dbraw/zinc/28/06/99/1411280699.db2.gz LGQUNNUJJQECHJ-HSZRJFAPSA-N 0 1 399.510 3.146 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCOc3ccccc3)cc2F)CC1 ZINC000106702345 1411280852 /nfs/dbraw/zinc/28/08/52/1411280852.db2.gz AUPABSLIZDHGQB-UHFFFAOYSA-N 0 1 385.483 3.053 20 10 GGCDMN CCO[C@@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccc1 ZINC000106702266 1411281257 /nfs/dbraw/zinc/28/12/57/1411281257.db2.gz CTBNXBAKBMGMBZ-JOCHJYFZSA-N 0 1 399.510 3.362 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)OCc3ccccc3)cc2F)CC1 ZINC000106702428 1411281281 /nfs/dbraw/zinc/28/12/81/1411281281.db2.gz QEXBILZWGJTAHO-GOSISDBHSA-N 0 1 399.510 3.189 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCOc4ccccc43)cc2F)CC1 ZINC000106702690 1411281367 /nfs/dbraw/zinc/28/13/67/1411281367.db2.gz UXKGCJIVLGMRNR-IBGZPJMESA-N 0 1 397.494 3.150 20 10 GGCDMN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000108765661 1411603714 /nfs/dbraw/zinc/60/37/14/1411603714.db2.gz ATJGLZHVSBXKNN-VQFGERMISA-N 0 1 385.533 3.017 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)c3ccccc3F)CC2)cc1 ZINC000108986977 1411655080 /nfs/dbraw/zinc/65/50/80/1411655080.db2.gz CNJSGVMIXGFYJZ-SFHVURJKSA-N 0 1 399.510 3.266 20 10 GGCDMN CN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1ccccc1O ZINC000109769233 1411808934 /nfs/dbraw/zinc/80/89/34/1411808934.db2.gz DAMJYHCJLDTSGF-UHFFFAOYSA-N 0 1 396.487 3.181 20 10 GGCDMN C[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(Br)cc1 ZINC000109769348 1411809088 /nfs/dbraw/zinc/80/90/88/1411809088.db2.gz NTCFVYXACBESLW-ZDUSSCGKSA-N 0 1 377.282 3.464 20 10 GGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nnc2ccccc2c1O ZINC000109934989 1411819752 /nfs/dbraw/zinc/81/97/52/1411819752.db2.gz GXHJWBXHUQNBFT-UHFFFAOYSA-N 0 1 376.460 3.186 20 10 GGCDMN CCCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1O ZINC000110728902 1411866769 /nfs/dbraw/zinc/86/67/69/1411866769.db2.gz WEKMMHPEDSQOKY-UHFFFAOYSA-N 0 1 378.494 3.182 20 10 GGCDMN CCCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1O ZINC000110733857 1411867236 /nfs/dbraw/zinc/86/72/36/1411867236.db2.gz YZFDECWFLWMQLW-UHFFFAOYSA-N 0 1 397.519 3.284 20 10 GGCDMN COc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)cc1OC ZINC000111235700 1411896834 /nfs/dbraw/zinc/89/68/34/1411896834.db2.gz KOMIACQBVSKKKV-SFHVURJKSA-N 0 1 384.476 3.205 20 10 GGCDMN CN(CC(=O)NCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000111235218 1411896878 /nfs/dbraw/zinc/89/68/78/1411896878.db2.gz FTJZGTKVPNYROY-UHFFFAOYSA-N 0 1 382.382 3.038 20 10 GGCDMN O=C(NCC[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Br)cc1 ZINC000113326050 1412292586 /nfs/dbraw/zinc/29/25/86/1412292586.db2.gz LIXDHWAPAOJMOZ-UHFFFAOYSA-N 0 1 383.673 3.328 20 10 GGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000113329529 1412293459 /nfs/dbraw/zinc/29/34/59/1412293459.db2.gz FNDJUYLPFYRRNZ-UHFFFAOYSA-N 0 1 376.884 3.046 20 10 GGCDMN O=C(NCC[NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(Br)c1 ZINC000113354489 1412297249 /nfs/dbraw/zinc/29/72/49/1412297249.db2.gz OHZYZUGQKNXBGO-UHFFFAOYSA-N 0 1 383.673 3.328 20 10 GGCDMN COc1cccc([C@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N(C)C)c1 ZINC000115785639 1412788216 /nfs/dbraw/zinc/78/82/16/1412788216.db2.gz GCEQBQWSJOCNGE-NRFANRHFSA-N 0 1 384.524 3.172 20 10 GGCDMN C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820413535 1428678258 /nfs/dbraw/zinc/67/82/58/1428678258.db2.gz RNKNXUUMMWGVBW-HZPDHXFCSA-N 0 1 378.480 3.115 20 10 GGCDMN O=c1c2ccccc2ncn1CCN(Cc1ccco1)Cc1ccccc1O ZINC000117340587 1413027977 /nfs/dbraw/zinc/02/79/77/1413027977.db2.gz LJXCRIJBKASVMI-UHFFFAOYSA-N 0 1 375.428 3.398 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000118837760 1413240964 /nfs/dbraw/zinc/24/09/64/1413240964.db2.gz BOSLJMLFXZJRRD-UHFFFAOYSA-N 0 1 391.519 3.125 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](C)Cc2ccc(C)cc2)c1 ZINC000119540057 1413480299 /nfs/dbraw/zinc/48/02/99/1413480299.db2.gz IOLVDCZCSWLNGV-UHFFFAOYSA-N 0 1 382.504 3.367 20 10 GGCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2[nH]nc3ccccc32)cc1 ZINC000120076325 1413677766 /nfs/dbraw/zinc/67/77/66/1413677766.db2.gz OWWPEGRXPRIJGT-GOSISDBHSA-N 0 1 378.476 3.450 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000120239375 1413745804 /nfs/dbraw/zinc/74/58/04/1413745804.db2.gz QZTBCNALMCUFTM-HXUWFJFHSA-N 0 1 394.515 3.417 20 10 GGCDMN CCN(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C1CCCC1 ZINC000120810207 1413910358 /nfs/dbraw/zinc/91/03/58/1413910358.db2.gz PKXYRKFGHAJUIT-UHFFFAOYSA-N 0 1 388.556 3.181 20 10 GGCDMN COc1cc2c(c(CN(C)Cc3ccc(N4CCOCC4)cc3)c1)O[C@@H](C)C2 ZINC000121293145 1414074603 /nfs/dbraw/zinc/07/46/03/1414074603.db2.gz JSBLQFIVBPXCSN-KRWDZBQOSA-N 0 1 382.504 3.487 20 10 GGCDMN COCOc1ccc(OC)cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000121318941 1414081986 /nfs/dbraw/zinc/08/19/86/1414081986.db2.gz FUHOIJACDHXENS-UHFFFAOYSA-N 0 1 386.492 3.147 20 10 GGCDMN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000122215751 1414391399 /nfs/dbraw/zinc/39/13/99/1414391399.db2.gz OYRWLUWCHBVQOP-ROUUACIJSA-N 0 1 388.533 3.036 20 10 GGCDMN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000122215972 1414391413 /nfs/dbraw/zinc/39/14/13/1414391413.db2.gz OYRWLUWCHBVQOP-MSOLQXFVSA-N 0 1 388.533 3.036 20 10 GGCDMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000122577329 1414505917 /nfs/dbraw/zinc/50/59/17/1414505917.db2.gz UOTVPYNQSXSIGH-QFIPXVFZSA-N 0 1 397.519 3.381 20 10 GGCDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000122823191 1414574091 /nfs/dbraw/zinc/57/40/91/1414574091.db2.gz DSYZVZKLGVUEPZ-GOSISDBHSA-N 0 1 398.415 3.336 20 10 GGCDMN Cc1ccccc1CN(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123534933 1414766333 /nfs/dbraw/zinc/76/63/33/1414766333.db2.gz IFOIVISGGWNUSU-OAQYLSRUSA-N 0 1 382.504 3.340 20 10 GGCDMN O=S(=O)(NC1CCN(Cc2c(O)cccc2Cl)CC1)c1cccs1 ZINC000123627700 1414800459 /nfs/dbraw/zinc/80/04/59/1414800459.db2.gz KGDQAFFKRVVXQQ-UHFFFAOYSA-N 0 1 386.926 3.050 20 10 GGCDMN COc1ccc(N2CCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F ZINC000177712657 1428839985 /nfs/dbraw/zinc/83/99/85/1428839985.db2.gz JNJUCESXRRYZTK-MRXNPFEDSA-N 0 1 393.503 3.213 20 10 GGCDMN Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511264 1428919480 /nfs/dbraw/zinc/91/94/80/1428919480.db2.gz IUFLDMZDDXUWME-NRFANRHFSA-N 0 1 387.443 3.299 20 10 GGCDMN Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127218750 1415691312 /nfs/dbraw/zinc/69/13/12/1415691312.db2.gz LLYFCAMSCUWIQL-QGZVFWFLSA-N 0 1 385.483 3.430 20 10 GGCDMN Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127218750 1415691324 /nfs/dbraw/zinc/69/13/24/1415691324.db2.gz LLYFCAMSCUWIQL-QGZVFWFLSA-N 0 1 385.483 3.430 20 10 GGCDMN CN(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000127246168 1415701860 /nfs/dbraw/zinc/70/18/60/1415701860.db2.gz KWKBDHGRXNKMIK-OAQYLSRUSA-N 0 1 382.483 3.304 20 10 GGCDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000128451802 1415990491 /nfs/dbraw/zinc/99/04/91/1415990491.db2.gz MXHLMRWHLOUMDY-KRWDZBQOSA-N 0 1 393.503 3.104 20 10 GGCDMN O=C(c1ccccc1F)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000128934344 1416107299 /nfs/dbraw/zinc/10/72/99/1416107299.db2.gz FSGRCSJJZUQNPM-UHFFFAOYSA-N 0 1 397.494 3.010 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CN(CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000178393001 1429068259 /nfs/dbraw/zinc/06/82/59/1429068259.db2.gz YAYDZHMTFSWEIR-QHCPKHFHSA-N 0 1 395.547 3.083 20 10 GGCDMN CC(C)c1[nH+]ccn1Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000129213394 1416172111 /nfs/dbraw/zinc/17/21/11/1416172111.db2.gz WJMIKCTUHLHIFS-UHFFFAOYSA-N 0 1 397.460 3.392 20 10 GGCDMN CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000129240267 1416177566 /nfs/dbraw/zinc/17/75/66/1416177566.db2.gz LVXVKRJSVMCOIF-UHFFFAOYSA-N 0 1 388.339 3.075 20 10 GGCDMN CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NCC1CCCCC1 ZINC000129509276 1416220698 /nfs/dbraw/zinc/22/06/98/1416220698.db2.gz WUARBYCSHONLCS-UHFFFAOYSA-N 0 1 391.531 3.227 20 10 GGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000131007048 1416495210 /nfs/dbraw/zinc/49/52/10/1416495210.db2.gz AWFMQAYISUYJCG-LLVKDONJSA-N 0 1 386.673 3.338 20 10 GGCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000133607261 1416917930 /nfs/dbraw/zinc/91/79/30/1416917930.db2.gz HOOROIPGEAPPBA-FQEVSTJZSA-N 0 1 381.524 3.038 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000133689540 1416941813 /nfs/dbraw/zinc/94/18/13/1416941813.db2.gz BGFZYUSWYXRNCQ-QFIPXVFZSA-N 0 1 397.494 3.290 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000133708794 1416947921 /nfs/dbraw/zinc/94/79/21/1416947921.db2.gz PWIAJOGLFMSWEW-NRFANRHFSA-N 0 1 399.922 3.414 20 10 GGCDMN Cc1nc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)s1 ZINC000134260689 1417045828 /nfs/dbraw/zinc/04/58/28/1417045828.db2.gz YXZKPWFQFSOICJ-INIZCTEOSA-N 0 1 393.940 3.442 20 10 GGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1Cl ZINC000134263965 1417046210 /nfs/dbraw/zinc/04/62/10/1417046210.db2.gz SVFVPGVPESHUDW-AWEZNQCLSA-N 0 1 380.275 3.488 20 10 GGCDMN CC(C)n1nccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134263325 1417046422 /nfs/dbraw/zinc/04/64/22/1417046422.db2.gz GRZQEZNSXAQGMJ-MRXNPFEDSA-N 0 1 376.888 3.217 20 10 GGCDMN O=C(CC[C@@H]1CCCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262530 1417046440 /nfs/dbraw/zinc/04/64/40/1417046440.db2.gz IHZWKYTVIGDDIY-ROUUACIJSA-N 0 1 380.916 3.476 20 10 GGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136966569 1417358282 /nfs/dbraw/zinc/35/82/82/1417358282.db2.gz ZOMHSBAQEATPIV-CQSZACIVSA-N 0 1 383.673 3.467 20 10 GGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136966569 1417358289 /nfs/dbraw/zinc/35/82/89/1417358289.db2.gz ZOMHSBAQEATPIV-CQSZACIVSA-N 0 1 383.673 3.467 20 10 GGCDMN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(Br)c1O ZINC000178848038 1429193781 /nfs/dbraw/zinc/19/37/81/1429193781.db2.gz OJXZHANKZGUEFU-INIZCTEOSA-N 0 1 376.250 3.255 20 10 GGCDMN CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000150865558 1417823669 /nfs/dbraw/zinc/82/36/69/1417823669.db2.gz HVSPDYDFCPJWPK-UHFFFAOYSA-N 0 1 386.470 3.168 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000152012713 1418120624 /nfs/dbraw/zinc/12/06/24/1418120624.db2.gz AEDDAPOFRWDEDB-HOTGVXAUSA-N 0 1 398.507 3.382 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000152012955 1418120736 /nfs/dbraw/zinc/12/07/36/1418120736.db2.gz AEDDAPOFRWDEDB-HZPDHXFCSA-N 0 1 398.507 3.382 20 10 GGCDMN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000152142078 1418156091 /nfs/dbraw/zinc/15/60/91/1418156091.db2.gz DBPPRVAXCRPAAG-SFHVURJKSA-N 0 1 395.551 3.481 20 10 GGCDMN CCc1[nH]nc(C(=O)N(CC)Cc2cc(Br)ccc2O)c1[N+](=O)[O-] ZINC000179484627 1429389803 /nfs/dbraw/zinc/38/98/03/1429389803.db2.gz PNXASCBRZGERDL-UHFFFAOYSA-N 0 1 397.229 3.011 20 10 GGCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000179605081 1429466878 /nfs/dbraw/zinc/46/68/78/1429466878.db2.gz WACMNIYSVOTGOZ-AWEZNQCLSA-N 0 1 377.435 3.321 20 10 GGCDMN CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000179642742 1429486408 /nfs/dbraw/zinc/48/64/08/1429486408.db2.gz RTLRWIPRAMQNJH-KRWDZBQOSA-N 0 1 396.576 3.251 20 10 GGCDMN C[C@@H](c1ccccc1)N(CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1O ZINC000179646461 1429487712 /nfs/dbraw/zinc/48/77/12/1429487712.db2.gz WKSXXZZXMBDPPN-SFHVURJKSA-N 0 1 392.503 3.348 20 10 GGCDMN COc1cccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)c1 ZINC000152945162 1422304266 /nfs/dbraw/zinc/30/42/66/1422304266.db2.gz CNDJCCZGQLKQGK-QFIPXVFZSA-N 0 1 394.519 3.174 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)CCSC)cc2F)CC1 ZINC000152967773 1422311049 /nfs/dbraw/zinc/31/10/49/1422311049.db2.gz VPELQCQSKVXVHC-MRXNPFEDSA-N 0 1 396.576 3.251 20 10 GGCDMN CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1cc(Br)ccc1O ZINC000180697992 1429984100 /nfs/dbraw/zinc/98/41/00/1429984100.db2.gz XGPGTRQLPBAMEV-UHFFFAOYSA-N 0 1 383.208 3.045 20 10 GGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179777331 1429556613 /nfs/dbraw/zinc/55/66/13/1429556613.db2.gz OYCKPFYJGKLUDB-LBPRGKRZSA-N 0 1 387.827 3.376 20 10 GGCDMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332154 1422474548 /nfs/dbraw/zinc/47/45/48/1422474548.db2.gz ZPQGJACPYCEAPH-HNNXBMFYSA-N 0 1 389.446 3.260 20 10 GGCDMN C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332949 1422475551 /nfs/dbraw/zinc/47/55/51/1422475551.db2.gz LVVNPLKAAGJQAU-OAHLLOKOSA-N 0 1 389.446 3.260 20 10 GGCDMN CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000154892018 1423070422 /nfs/dbraw/zinc/07/04/22/1423070422.db2.gz FVUPNTVDNFZTAZ-GOSISDBHSA-N 0 1 375.513 3.012 20 10 GGCDMN Cc1cc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)nc(C(C)C)n1 ZINC000154977109 1423097494 /nfs/dbraw/zinc/09/74/94/1423097494.db2.gz BDQVVSFQKBKCMM-UHFFFAOYSA-N 0 1 395.551 3.067 20 10 GGCDMN CN(C)c1ccc(CN(C)Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000155180984 1423217460 /nfs/dbraw/zinc/21/74/60/1423217460.db2.gz FNYCUKDEMQCCRY-UHFFFAOYSA-N 0 1 381.520 3.386 20 10 GGCDMN CCN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000736509263 1429630506 /nfs/dbraw/zinc/63/05/06/1429630506.db2.gz CKVQEJRKHIGCRO-UHFFFAOYSA-N 0 1 391.523 3.035 20 10 GGCDMN CCN(C)c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000736509263 1429630509 /nfs/dbraw/zinc/63/05/09/1429630509.db2.gz CKVQEJRKHIGCRO-UHFFFAOYSA-N 0 1 391.523 3.035 20 10 GGCDMN CCN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000736509263 1429630512 /nfs/dbraw/zinc/63/05/12/1429630512.db2.gz CKVQEJRKHIGCRO-UHFFFAOYSA-N 0 1 391.523 3.035 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824619757 1423917970 /nfs/dbraw/zinc/91/79/70/1423917970.db2.gz ZVQQACAWHVMUOI-HNNXBMFYSA-N 0 1 380.521 3.271 20 10 GGCDMN C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4cc(F)ccc4O)CC3)cc2NC1=O ZINC000180063273 1429720424 /nfs/dbraw/zinc/72/04/24/1429720424.db2.gz FZVXZLSQWDPKLD-CYBMUJFWSA-N 0 1 398.434 3.346 20 10 GGCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc3[nH]cnc32)cc1 ZINC000159247020 1424457537 /nfs/dbraw/zinc/45/75/37/1424457537.db2.gz JXGAEJJZUNVKRF-SFHVURJKSA-N 0 1 378.476 3.450 20 10 GGCDMN CCc1nn(C)cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000180085515 1429730759 /nfs/dbraw/zinc/73/07/59/1429730759.db2.gz CIGGIQIYXAXEEC-UHFFFAOYSA-N 0 1 382.430 3.128 20 10 GGCDMN CCN(Cc1cccc(Br)c1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159900479 1424550645 /nfs/dbraw/zinc/55/06/45/1424550645.db2.gz UJHXJOYQMRLCEO-UHFFFAOYSA-N 0 1 388.265 3.413 20 10 GGCDMN CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000180103557 1429738941 /nfs/dbraw/zinc/73/89/41/1429738941.db2.gz PZMBMNSISKIILB-RBUKOAKNSA-N 0 1 391.531 3.179 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccncc3)cc2F)CC1 ZINC000160469738 1424606744 /nfs/dbraw/zinc/60/67/44/1424606744.db2.gz YAPGGXFUBGGKBF-KRWDZBQOSA-N 0 1 384.499 3.173 20 10 GGCDMN C[C@H](C(=O)N(C)Cc1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000161780041 1424762811 /nfs/dbraw/zinc/76/28/11/1424762811.db2.gz OYOLDCGWFHSOEE-LJQANCHMSA-N 0 1 381.520 3.002 20 10 GGCDMN C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000161779932 1424763194 /nfs/dbraw/zinc/76/31/94/1424763194.db2.gz OYOLDCGWFHSOEE-IBGZPJMESA-N 0 1 381.520 3.002 20 10 GGCDMN C[C@@H](NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000161817116 1424771539 /nfs/dbraw/zinc/77/15/39/1424771539.db2.gz VXVOVYHANPBWLF-MSOLQXFVSA-N 0 1 399.510 3.360 20 10 GGCDMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000161845497 1424777745 /nfs/dbraw/zinc/77/77/45/1424777745.db2.gz MTLXEKXAHYRKOB-WOJBJXKFSA-N 0 1 395.547 3.263 20 10 GGCDMN C[C@@H](CNC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000161845369 1424777850 /nfs/dbraw/zinc/77/78/50/1424777850.db2.gz MTLXEKXAHYRKOB-VQTJNVASSA-N 0 1 395.547 3.263 20 10 GGCDMN C[C@H](CNC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000161845768 1424778094 /nfs/dbraw/zinc/77/80/94/1424778094.db2.gz MTLXEKXAHYRKOB-UXHICEINSA-N 0 1 395.547 3.263 20 10 GGCDMN COc1ccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)[nH]n2)cc1 ZINC000165476094 1425180987 /nfs/dbraw/zinc/18/09/87/1425180987.db2.gz SLGGQMVMFXKCLF-UHFFFAOYSA-N 0 1 378.432 3.191 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCn4cccc4[C@@H]3C)cc2F)CC1 ZINC000171751376 1425810719 /nfs/dbraw/zinc/81/07/19/1425810719.db2.gz CUVBHVQKFFGNMF-KRWDZBQOSA-N 0 1 399.514 3.056 20 10 GGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172386851 1426023475 /nfs/dbraw/zinc/02/34/75/1426023475.db2.gz IWKKBVKLNVDWIK-UHFFFAOYSA-N 0 1 387.549 3.340 20 10 GGCDMN COc1cc(C)cc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1O ZINC000826178261 1426179030 /nfs/dbraw/zinc/17/90/30/1426179030.db2.gz QFTBQVUMPVKSTL-UHFFFAOYSA-N 0 1 377.448 3.179 20 10 GGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529164 1426425187 /nfs/dbraw/zinc/42/51/87/1426425187.db2.gz FEMODYLHIQUOSL-LSDHHAIUSA-N 0 1 396.470 3.254 20 10 GGCDMN COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)CC2)cc1 ZINC000826209001 1426795911 /nfs/dbraw/zinc/79/59/11/1426795911.db2.gz JDXKLZXSGFTFNY-CQSZACIVSA-N 0 1 396.470 3.334 20 10 GGCDMN C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821610963 1426923859 /nfs/dbraw/zinc/92/38/59/1426923859.db2.gz LTFGINIRPFNQEY-OAQYLSRUSA-N 0 1 392.507 3.022 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000174424582 1427151620 /nfs/dbraw/zinc/15/16/20/1427151620.db2.gz YZMROCNJKYXUAC-LLVKDONJSA-N 0 1 382.258 3.300 20 10 GGCDMN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCS1 ZINC000174786398 1427366727 /nfs/dbraw/zinc/36/67/27/1427366727.db2.gz CFYFDLJJUMKPLY-QGZVFWFLSA-N 0 1 394.560 3.005 20 10 GGCDMN CC[C@H]1CN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCS1 ZINC000174786406 1427367001 /nfs/dbraw/zinc/36/70/01/1427367001.db2.gz CFYFDLJJUMKPLY-KRWDZBQOSA-N 0 1 394.560 3.005 20 10 GGCDMN Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1-c1nnn[n-]1 ZINC000826312934 1427470288 /nfs/dbraw/zinc/47/02/88/1427470288.db2.gz RRRUXWORIHRWTG-HNNXBMFYSA-N 0 1 399.886 3.006 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000175640248 1427841105 /nfs/dbraw/zinc/84/11/05/1427841105.db2.gz HAAXPYWBRQJMDD-AWEZNQCLSA-N 0 1 380.460 3.423 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000175640248 1427841109 /nfs/dbraw/zinc/84/11/09/1427841109.db2.gz HAAXPYWBRQJMDD-AWEZNQCLSA-N 0 1 380.460 3.423 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000175640248 1427841111 /nfs/dbraw/zinc/84/11/11/1427841111.db2.gz HAAXPYWBRQJMDD-AWEZNQCLSA-N 0 1 380.460 3.423 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2[nH]nnc2c1 ZINC000175844261 1427926077 /nfs/dbraw/zinc/92/60/77/1427926077.db2.gz PHYLBCHQPICVIL-UHFFFAOYSA-N 0 1 375.226 3.088 20 10 GGCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1ccccc1Br ZINC000175933265 1427981799 /nfs/dbraw/zinc/98/17/99/1427981799.db2.gz KXAAALLRTMIZPT-NSHDSACASA-N 0 1 388.269 3.466 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175940670 1427985661 /nfs/dbraw/zinc/98/56/61/1427985661.db2.gz QSJQBUOMDSLGOP-CQSZACIVSA-N 0 1 375.444 3.032 20 10 GGCDMN COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCCC1 ZINC000180597615 1429922599 /nfs/dbraw/zinc/92/25/99/1429922599.db2.gz GORFGVTYKSRVMI-SXAWMYDMSA-N 0 1 382.460 3.073 20 10 GGCDMN Cc1ccc(-c2nnn[n-]2)c(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH+]1 ZINC000826274511 1430153733 /nfs/dbraw/zinc/15/37/33/1430153733.db2.gz UBELQPHPOKBVDU-UHFFFAOYSA-N 0 1 375.411 3.484 20 10 GGCDMN Cc1ccc(N2CC[C@H](N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145126 1430225778 /nfs/dbraw/zinc/22/57/78/1430225778.db2.gz QRAZERDNBZBGNY-UTKZUKDTSA-N 0 1 397.494 3.427 20 10 GGCDMN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177715 1430238984 /nfs/dbraw/zinc/23/89/84/1430238984.db2.gz WBPAGZYFLOKWBU-QFBILLFUSA-N 0 1 399.514 3.396 20 10 GGCDMN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177734 1430239035 /nfs/dbraw/zinc/23/90/35/1430239035.db2.gz WBPAGZYFLOKWBU-VQIMIIECSA-N 0 1 399.514 3.396 20 10 GGCDMN CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])c1 ZINC000181928109 1430384732 /nfs/dbraw/zinc/38/47/32/1430384732.db2.gz PJXYWZFBLDEGLL-NSHDSACASA-N 0 1 396.896 3.007 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NCc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000182471191 1430473122 /nfs/dbraw/zinc/47/31/22/1430473122.db2.gz KKVIYMQVPZAGLV-GFCCVEGCSA-N 0 1 383.473 3.474 20 10 GGCDMN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000183514279 1430732242 /nfs/dbraw/zinc/73/22/42/1430732242.db2.gz FOIWHRNMPQLVGX-UHFFFAOYSA-N 0 1 375.856 3.465 20 10 GGCDMN CCOc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000183698740 1430775871 /nfs/dbraw/zinc/77/58/71/1430775871.db2.gz NRERXEXFNBQFRM-UHFFFAOYSA-N 0 1 386.492 3.433 20 10 GGCDMN COCc1cccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000183706016 1430777791 /nfs/dbraw/zinc/77/77/91/1430777791.db2.gz UHZJRFRNKPQKMC-UHFFFAOYSA-N 0 1 386.492 3.181 20 10 GGCDMN COc1ccc(O)c([C@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000185146407 1431072147 /nfs/dbraw/zinc/07/21/47/1431072147.db2.gz UOVFXWMSHVBHCS-AWEZNQCLSA-N 0 1 392.521 3.328 20 10 GGCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185195021 1431082129 /nfs/dbraw/zinc/08/21/29/1431082129.db2.gz FOGITTVIPHLUOZ-INIZCTEOSA-N 0 1 384.501 3.483 20 10 GGCDMN Cc1nccnc1[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000187791869 1431812830 /nfs/dbraw/zinc/81/28/30/1431812830.db2.gz WODFPZHLCNUTBA-AWEZNQCLSA-N 0 1 380.414 3.491 20 10 GGCDMN C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(F)c(F)c1O ZINC000187840604 1431818691 /nfs/dbraw/zinc/81/86/91/1431818691.db2.gz WSACQPYMGOBVTN-ZDUSSCGKSA-N 0 1 376.403 3.245 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCSCC[C@H]3C)cc2F)CC1 ZINC000188711733 1431942171 /nfs/dbraw/zinc/94/21/71/1431942171.db2.gz BZIYAXMYOIXGDI-MRXNPFEDSA-N 0 1 394.560 3.005 20 10 GGCDMN CC(C)(C)n1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000191228963 1432597254 /nfs/dbraw/zinc/59/72/54/1432597254.db2.gz XLEPKCCVUGYWRV-CQSZACIVSA-N 0 1 379.455 3.393 20 10 GGCDMN CCOC1CC(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])(N2CCOCC2)C1 ZINC000193396781 1432990917 /nfs/dbraw/zinc/99/09/17/1432990917.db2.gz XDBGPDTWCINLHH-OYMFQORVSA-N 0 1 384.520 3.466 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC000193497018 1433009227 /nfs/dbraw/zinc/00/92/27/1433009227.db2.gz MLKPGXURXTZWRY-GASCZTMLSA-N 0 1 378.444 3.033 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC000193497018 1433009230 /nfs/dbraw/zinc/00/92/30/1433009230.db2.gz MLKPGXURXTZWRY-GASCZTMLSA-N 0 1 378.444 3.033 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000194601858 1433204213 /nfs/dbraw/zinc/20/42/13/1433204213.db2.gz XGRKCFJETSNUPL-UHFFFAOYSA-N 0 1 395.532 3.212 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccc4c3CCC4)CC2)cc1 ZINC000195646957 1433343000 /nfs/dbraw/zinc/34/30/00/1433343000.db2.gz HROUYKRZCFBFOK-UHFFFAOYSA-N 0 1 393.531 3.126 20 10 GGCDMN COc1ccc(N2CCCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000249681118 1433848791 /nfs/dbraw/zinc/84/87/91/1433848791.db2.gz BUNVQXDATNOUEV-JOCHJYFZSA-N 0 1 379.504 3.227 20 10 GGCDMN Oc1ccccc1C[N@@H+](C[C@@H](O)COCc1cccs1)C[C@H]1CCCO1 ZINC000255218442 1433878581 /nfs/dbraw/zinc/87/85/81/1433878581.db2.gz GXLNZEBQNAHWHR-QZTJIDSGSA-N 0 1 377.506 3.012 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(-n4ccnc4)cc3)SC2=S)CC1 ZINC000255671571 1433887594 /nfs/dbraw/zinc/88/75/94/1433887594.db2.gz ZUNSTMCVPKCDFR-SFQUDFHCSA-N 0 1 384.530 3.168 20 10 GGCDMN CCN(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000264027602 1434063732 /nfs/dbraw/zinc/06/37/32/1434063732.db2.gz LPKYVAHLQRGAAU-QFIPXVFZSA-N 0 1 399.510 3.096 20 10 GGCDMN CCN(Cc1ccncc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000264372218 1434104049 /nfs/dbraw/zinc/10/40/49/1434104049.db2.gz RKWYWWSSGHDEFT-UHFFFAOYSA-N 0 1 399.514 3.094 20 10 GGCDMN COc1cc(O)c(CN2CCCN(C(=O)Oc3ccccc3)CC2)cc1OC ZINC000271105207 1434802178 /nfs/dbraw/zinc/80/21/78/1434802178.db2.gz RGMQUHHWZVXNGO-UHFFFAOYSA-N 0 1 386.448 3.116 20 10 GGCDMN CCN(CC)c1ccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1F ZINC000271605176 1434838627 /nfs/dbraw/zinc/83/86/27/1434838627.db2.gz ACDZDVFNDZETKU-CQSZACIVSA-N 0 1 379.501 3.170 20 10 GGCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000277113060 1435263290 /nfs/dbraw/zinc/26/32/90/1435263290.db2.gz RTBMZKXFBBUFTR-UIOUNXJESA-N 0 1 383.496 3.045 20 10 GGCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000277113058 1435263292 /nfs/dbraw/zinc/26/32/92/1435263292.db2.gz RTBMZKXFBBUFTR-MOVUHUBBSA-N 0 1 383.496 3.045 20 10 GGCDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278143491 1435363933 /nfs/dbraw/zinc/36/39/33/1435363933.db2.gz BFAXCCSHEHJKOI-MRXNPFEDSA-N 0 1 388.420 3.196 20 10 GGCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278143491 1435363935 /nfs/dbraw/zinc/36/39/35/1435363935.db2.gz BFAXCCSHEHJKOI-MRXNPFEDSA-N 0 1 388.420 3.196 20 10 GGCDMN CCN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1)CC(F)(F)F ZINC000278223534 1435371213 /nfs/dbraw/zinc/37/12/13/1435371213.db2.gz LXQRXOYOYWJSQM-GFCCVEGCSA-N 0 1 391.390 3.015 20 10 GGCDMN COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278463907 1435392763 /nfs/dbraw/zinc/39/27/63/1435392763.db2.gz FTGLUZVJXHLMJW-SNVBAGLBSA-N 0 1 380.372 3.316 20 10 GGCDMN COc1cc(F)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278463906 1435392886 /nfs/dbraw/zinc/39/28/86/1435392886.db2.gz FTGLUZVJXHLMJW-JTQLQIEISA-N 0 1 380.372 3.316 20 10 GGCDMN CCOc1ccc(O)c(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC000280692647 1435705052 /nfs/dbraw/zinc/70/50/52/1435705052.db2.gz OTWZGEGLJISRBS-QRWLVFNGSA-N 0 1 377.506 3.363 20 10 GGCDMN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000284777223 1436049019 /nfs/dbraw/zinc/04/90/19/1436049019.db2.gz NOGZWRNLWNNXMI-GFCCVEGCSA-N 0 1 379.453 3.378 20 10 GGCDMN CCCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000284803852 1436051371 /nfs/dbraw/zinc/05/13/71/1436051371.db2.gz KDADDTHIEIYJSM-PGRDOPGGSA-N 0 1 386.540 3.429 20 10 GGCDMN CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000284803852 1436051374 /nfs/dbraw/zinc/05/13/74/1436051374.db2.gz KDADDTHIEIYJSM-PGRDOPGGSA-N 0 1 386.540 3.429 20 10 GGCDMN Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000823733338 1441675430 /nfs/dbraw/zinc/67/54/30/1441675430.db2.gz UNZFXKDESNAQRN-FQEVSTJZSA-N 0 1 379.464 3.051 20 10 GGCDMN Oc1ccccc1C[N@@H+](C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000823733338 1441675432 /nfs/dbraw/zinc/67/54/32/1441675432.db2.gz UNZFXKDESNAQRN-FQEVSTJZSA-N 0 1 379.464 3.051 20 10 GGCDMN Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000823733338 1441675435 /nfs/dbraw/zinc/67/54/35/1441675435.db2.gz UNZFXKDESNAQRN-FQEVSTJZSA-N 0 1 379.464 3.051 20 10 GGCDMN COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826209039 1442074079 /nfs/dbraw/zinc/07/40/79/1442074079.db2.gz KDMLTIOASIJCDW-AWEZNQCLSA-N 0 1 396.470 3.334 20 10 GGCDMN Oc1ccccc1C[N@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000823733339 1443918465 /nfs/dbraw/zinc/91/84/65/1443918465.db2.gz UNZFXKDESNAQRN-HXUWFJFHSA-N 0 1 379.464 3.051 20 10 GGCDMN Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000823733339 1443918468 /nfs/dbraw/zinc/91/84/68/1443918468.db2.gz UNZFXKDESNAQRN-HXUWFJFHSA-N 0 1 379.464 3.051 20 10 GGCDMN Oc1ccccc1C[N@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000823733339 1443918469 /nfs/dbraw/zinc/91/84/69/1443918469.db2.gz UNZFXKDESNAQRN-HXUWFJFHSA-N 0 1 379.464 3.051 20 10 GGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820411208 1446331510 /nfs/dbraw/zinc/33/15/10/1446331510.db2.gz HGDUAUDOUUVFOQ-GJZGRUSLSA-N 0 1 396.470 3.254 20 10 GGCDMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000826168035 1449071675 /nfs/dbraw/zinc/07/16/75/1449071675.db2.gz ZYNUEMMYUHUROI-UHFFFAOYSA-N 0 1 392.507 3.498 20 10 GGCDMN C[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000821603900 1449201485 /nfs/dbraw/zinc/20/14/85/1449201485.db2.gz UFTGJFBUHILJJY-UHFFFAOYSA-N 0 1 392.507 3.368 20 10 GGCDMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000820426332 945447233 /nfs/dbraw/zinc/44/72/33/945447233.db2.gz ILEAOOFFLNNDRM-AWEZNQCLSA-N 0 1 398.898 3.208 20 10 GGCDMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001588674329 960528877 /nfs/dbraw/zinc/52/88/77/960528877.db2.gz BEAZXYZJNHPLPH-CQSZACIVSA-N 0 1 396.459 3.065 20 10 GGCDMN O=C([O-])[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892873 972696928 /nfs/dbraw/zinc/69/69/28/972696928.db2.gz JQEGIZQGNKZUEH-FUHWJXTLSA-N 0 1 394.899 3.017 20 10 GGCDMN O=C([O-])/C=C\c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000796548097 978833371 /nfs/dbraw/zinc/83/33/71/978833371.db2.gz AGPLOZLIUWCAPY-NTMALXAHSA-N 0 1 381.432 3.405 20 10 GGCDMN Cc1c[nH+]ccc1OC1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844210024 979363308 /nfs/dbraw/zinc/36/33/08/979363308.db2.gz OYYDCFAMZAENMH-HWKANZROSA-N 0 1 383.404 3.444 20 10 GGCDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000901541766 980369498 /nfs/dbraw/zinc/36/94/98/980369498.db2.gz KGAFKBCKURHHFM-GOSISDBHSA-N 0 1 397.313 3.115 20 10 GGCDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000901541769 980369977 /nfs/dbraw/zinc/36/99/77/980369977.db2.gz KGAFKBCKURHHFM-SFHVURJKSA-N 0 1 397.313 3.115 20 10 GGCDMN C[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000901578607 980391150 /nfs/dbraw/zinc/39/11/50/980391150.db2.gz AIUDVOISRBRVGE-IBGZPJMESA-N 0 1 381.520 3.161 20 10 GGCDMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000901578607 980391154 /nfs/dbraw/zinc/39/11/54/980391154.db2.gz AIUDVOISRBRVGE-IBGZPJMESA-N 0 1 381.520 3.161 20 10 GGCDMN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910344021 981882030 /nfs/dbraw/zinc/88/20/30/981882030.db2.gz NLWIZQXOHGIBJZ-LNENJAERSA-N 0 1 381.432 3.403 20 10 GGCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747258 982413491 /nfs/dbraw/zinc/41/34/91/982413491.db2.gz DLBHARDRBLCEOZ-MRXNPFEDSA-N 0 1 384.476 3.397 20 10 GGCDMN CCCC[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC001595749252 982421714 /nfs/dbraw/zinc/42/17/14/982421714.db2.gz UPWZPPBEPOMLBY-HNNXBMFYSA-N 0 1 391.489 3.033 20 10 GGCDMN CCOC(=O)c1[nH]c(C)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1C ZINC001596691015 984802640 /nfs/dbraw/zinc/80/26/40/984802640.db2.gz CYSMFYKZNYQOOD-UHFFFAOYSA-N 0 1 394.855 3.254 20 10 GGCDMN COc1cccc([C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C(=O)[O-])c1 ZINC001599688142 991021234 /nfs/dbraw/zinc/02/12/34/991021234.db2.gz NVPZQPWNJIIAPQ-AWEZNQCLSA-N 0 1 384.201 3.218 20 10 GGCDMN COc1ccc(N2CC[NH+](Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)cc1F ZINC001599586811 993624280 /nfs/dbraw/zinc/62/42/80/993624280.db2.gz XMMYCNWNQQXAPQ-OAHLLOKOSA-N 0 1 388.439 3.008 20 10 GGCDMN COc1ccc(N2CC[NH+](Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)cc1F ZINC001599586810 993624288 /nfs/dbraw/zinc/62/42/88/993624288.db2.gz XMMYCNWNQQXAPQ-HNNXBMFYSA-N 0 1 388.439 3.008 20 10 GGCDMN C[C@H](Oc1ccccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593645190 995972015 /nfs/dbraw/zinc/97/20/15/995972015.db2.gz QDRHNOLWWJBUFB-LPHOPBHVSA-N 0 1 385.460 3.425 20 10 GGCDMN COc1cc(C)c(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c(O)c1 ZINC001599391369 997043011 /nfs/dbraw/zinc/04/30/11/997043011.db2.gz TWELYKYBCQYWRD-DLBZAZTESA-N 0 1 377.387 3.288 20 10 GGCDMN COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)cc(OC)c2O)cc(OC)c1 ZINC001599405993 997301919 /nfs/dbraw/zinc/30/19/19/997301919.db2.gz PBZBYDRNJRHMLA-UHFFFAOYSA-N 0 1 395.839 3.158 20 10 GGCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)cc(OC)c2O)cc(OC)c1 ZINC001599405993 997301928 /nfs/dbraw/zinc/30/19/28/997301928.db2.gz PBZBYDRNJRHMLA-UHFFFAOYSA-N 0 1 395.839 3.158 20 10 GGCDMN COc1cc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407503 997350522 /nfs/dbraw/zinc/35/05/22/997350522.db2.gz MMIRMPMGBLRKOH-JOCHJYFZSA-N 0 1 391.508 3.280 20 10 GGCDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cccc(F)c1O)CC2 ZINC001599465826 998358891 /nfs/dbraw/zinc/35/88/91/998358891.db2.gz PSBDLYZPFNWFQS-INIZCTEOSA-N 0 1 375.396 3.123 20 10 GGCDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001599465826 998358898 /nfs/dbraw/zinc/35/88/98/998358898.db2.gz PSBDLYZPFNWFQS-INIZCTEOSA-N 0 1 375.396 3.123 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000116350656 1126076315 /nfs/dbraw/zinc/07/63/15/1126076315.db2.gz MEVRKKFCJJVIHS-HNNXBMFYSA-N 0 1 375.266 3.329 20 10 GGCDMN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756384555 1126108439 /nfs/dbraw/zinc/10/84/39/1126108439.db2.gz BLZBQNHETKJLDO-AWEZNQCLSA-N 0 1 395.814 3.132 20 10 GGCDMN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000904051124 1126132239 /nfs/dbraw/zinc/13/22/39/1126132239.db2.gz RXSGBDGYYKFNES-NRFANRHFSA-N 0 1 378.476 3.222 20 10 GGCDMN O=C([O-])[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc(F)c(F)cc1O ZINC001601661021 1126224909 /nfs/dbraw/zinc/22/49/09/1126224909.db2.gz VAIINAIBKQWELH-CQSZACIVSA-N 0 1 386.192 3.218 20 10 GGCDMN O=C([O-])[C@H](Cc1ccccc1Br)[NH2+]Cc1cc(F)c(F)cc1O ZINC001601661012 1126224916 /nfs/dbraw/zinc/22/49/16/1126224916.db2.gz VAIINAIBKQWELH-AWEZNQCLSA-N 0 1 386.192 3.218 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3C)CC2)cc1 ZINC000003958264 206496721 /nfs/dbraw/zinc/49/67/21/206496721.db2.gz MGIBGVSGVSKEEM-UHFFFAOYSA-N 0 1 382.508 3.337 20 10 GGCDMN CCN1CCN(c2ccc(CNc3ncc(Br)cn3)cc2F)CC1 ZINC000067372455 564790605 /nfs/dbraw/zinc/79/06/05/564790605.db2.gz VLJWEJODWVDHDC-UHFFFAOYSA-N 0 1 394.292 3.132 20 10 GGCDMN COc1cc(Br)cc(CN2CCC(N3CCCCC3=O)CC2)c1O ZINC000093741491 564889634 /nfs/dbraw/zinc/88/96/34/564889634.db2.gz KFGXRSIJMXSBDN-UHFFFAOYSA-N 0 1 397.313 3.140 20 10 GGCDMN CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Br)ccc1[O-] ZINC000155122793 565062174 /nfs/dbraw/zinc/06/21/74/565062174.db2.gz MVWJCJVAKHHUOU-QGZVFWFLSA-N 0 1 384.362 3.223 20 10 GGCDMN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113327956 565069262 /nfs/dbraw/zinc/06/92/62/565069262.db2.gz SBWNVKUYVUNLFS-UHFFFAOYSA-N 0 1 382.913 3.364 20 10 GGCDMN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000184955384 565167651 /nfs/dbraw/zinc/16/76/51/565167651.db2.gz UPDDAFKOUMGMPR-LBPRGKRZSA-N 0 1 379.302 3.366 20 10 GGCDMN COc1cc(Br)cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000372413368 565236606 /nfs/dbraw/zinc/23/66/06/565236606.db2.gz KQKUTCIVQKIOBC-OAHLLOKOSA-N 0 1 397.313 3.140 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000186041540 565237449 /nfs/dbraw/zinc/23/74/49/565237449.db2.gz FLDYNTBLCJXZJA-CYBMUJFWSA-N 0 1 380.897 3.436 20 10 GGCDMN COCCOC1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCOCC1 ZINC000296504506 565320681 /nfs/dbraw/zinc/32/06/81/565320681.db2.gz PFSLWRFTWZJYNG-ZDUSSCGKSA-N 0 1 388.302 3.018 20 10 GGCDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000374788470 565354030 /nfs/dbraw/zinc/35/40/30/565354030.db2.gz OTSJQZAJZZEXJD-GFCCVEGCSA-N 0 1 393.285 3.216 20 10 GGCDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000374788470 565354034 /nfs/dbraw/zinc/35/40/34/565354034.db2.gz OTSJQZAJZZEXJD-GFCCVEGCSA-N 0 1 393.285 3.216 20 10 GGCDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000374788470 565354040 /nfs/dbraw/zinc/35/40/40/565354040.db2.gz OTSJQZAJZZEXJD-GFCCVEGCSA-N 0 1 393.285 3.216 20 10 GGCDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000275371224 565407354 /nfs/dbraw/zinc/40/73/54/565407354.db2.gz XHNYVDSSPGYRDU-YOEHRIQHSA-N 0 1 380.286 3.125 20 10 GGCDMN C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)ccc1[O-] ZINC000277110540 565477175 /nfs/dbraw/zinc/47/71/75/565477175.db2.gz MLCCQVGVPXRMSJ-GFCCVEGCSA-N 0 1 377.286 3.264 20 10 GGCDMN O=C(NCc1cccc(Br)c1[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000277272802 565486202 /nfs/dbraw/zinc/48/62/02/565486202.db2.gz AHDIYZLCSQBPCO-UHFFFAOYSA-N 0 1 396.329 3.361 20 10 GGCDMN COc1cc(Br)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000377626172 565490339 /nfs/dbraw/zinc/49/03/39/565490339.db2.gz LSLULNGTMUSLPL-AWEZNQCLSA-N 0 1 398.219 3.443 20 10 GGCDMN CC(C)(C)n1ncc2c1nc(NCc1cccc(Br)c1O)[nH]c2=O ZINC000277432318 565496968 /nfs/dbraw/zinc/49/69/68/565496968.db2.gz MKTIPNRDMGVKTG-UHFFFAOYSA-N 0 1 392.257 3.367 20 10 GGCDMN CCCc1cc(=O)n2nc(NCc3cccc(Br)c3O)sc2n1 ZINC000277456143 565497887 /nfs/dbraw/zinc/49/78/87/565497887.db2.gz OPANBIKLGIJMLQ-UHFFFAOYSA-N 0 1 395.282 3.184 20 10 GGCDMN CCN(C(C)=O)c1nc(CNCc2cccc(Br)c2O)cs1 ZINC000278308958 565550367 /nfs/dbraw/zinc/55/03/67/565550367.db2.gz DZPHXCAKMPHKEP-UHFFFAOYSA-N 0 1 384.299 3.274 20 10 GGCDMN C[NH+](C)Cc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000278472504 565561209 /nfs/dbraw/zinc/56/12/09/565561209.db2.gz WYXTXWONWGKUHP-UHFFFAOYSA-N 0 1 392.297 3.216 20 10 GGCDMN CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000324375946 565618034 /nfs/dbraw/zinc/61/80/34/565618034.db2.gz MBEBKNWESCUHAH-JKSUJKDBSA-N 0 1 394.313 3.462 20 10 GGCDMN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ccc1[O-] ZINC000285577547 565914429 /nfs/dbraw/zinc/91/44/29/565914429.db2.gz GYJPREYCPARHRG-LLVKDONJSA-N 0 1 376.316 3.163 20 10 GGCDMN CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000286911013 565985961 /nfs/dbraw/zinc/98/59/61/565985961.db2.gz FBEPWTSCCOQLKS-FZMZJTMJSA-N 0 1 376.316 3.020 20 10 GGCDMN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1[O-] ZINC000363854003 566022741 /nfs/dbraw/zinc/02/27/41/566022741.db2.gz LMLVRBGYWAMDED-ABAIWWIYSA-N 0 1 380.286 3.072 20 10 GGCDMN CCOCCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000288192350 566061854 /nfs/dbraw/zinc/06/18/54/566061854.db2.gz JZBKDUSGYNKNDD-UHFFFAOYSA-N 0 1 389.832 3.401 20 10 GGCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@@H]1CCOC1 ZINC000180623779 566078191 /nfs/dbraw/zinc/07/81/91/566078191.db2.gz DHILVDUBTCQAFP-VIFPVBQESA-N 0 1 379.092 3.386 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000288570930 566080015 /nfs/dbraw/zinc/08/00/15/566080015.db2.gz ZQLVXDFEJWMVSA-CYBMUJFWSA-N 0 1 393.281 3.255 20 10 GGCDMN C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865269 566094129 /nfs/dbraw/zinc/09/41/29/566094129.db2.gz XNUPCBHEOQDSFG-BDAKNGLRSA-N 0 1 379.092 3.120 20 10 GGCDMN Cc1cc(Br)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289786774 566140149 /nfs/dbraw/zinc/14/01/49/566140149.db2.gz RVTNLIRZZVBBSI-YPMHNXCESA-N 0 1 382.220 3.456 20 10 GGCDMN CN1C(=O)C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000366220407 566141756 /nfs/dbraw/zinc/14/17/56/566141756.db2.gz UIPAFFIJGAREIN-ZDUSSCGKSA-N 0 1 379.243 3.466 20 10 GGCDMN COc1cc(Br)c(CNCc2cc3c(cc2O)OCO3)cc1OC ZINC000264356355 566213183 /nfs/dbraw/zinc/21/31/83/566213183.db2.gz GOFDCURCUMMQTF-UHFFFAOYSA-N 0 1 396.237 3.190 20 10 GGCDMN Oc1c(Br)cc(Br)cc1CN1CCn2cncc2C1 ZINC000291504563 566222630 /nfs/dbraw/zinc/22/26/30/566222630.db2.gz HQRRPFUOIBUQQS-UHFFFAOYSA-N 0 1 387.075 3.130 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000264968943 566229121 /nfs/dbraw/zinc/22/91/21/566229121.db2.gz QHGKTLGTESWDHZ-UHFFFAOYSA-N 0 1 393.281 3.397 20 10 GGCDMN CCOc1ccc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000011853440 570438858 /nfs/dbraw/zinc/43/88/58/570438858.db2.gz YOTZPCBGDRHIAI-UHFFFAOYSA-N 0 1 397.519 3.036 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000011853438 570438975 /nfs/dbraw/zinc/43/89/75/570438975.db2.gz DVYMFJCVYSHJIF-UHFFFAOYSA-N 0 1 387.911 3.291 20 10 GGCDMN COc1ccc(CN2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)cc1F ZINC000032888176 570885006 /nfs/dbraw/zinc/88/50/06/570885006.db2.gz LPIACWZKMUSPGK-UHFFFAOYSA-N 0 1 381.451 3.406 20 10 GGCDMN Cc1cc(C(=O)C[NH+]2CCC(CCO)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738321337 600079813 /nfs/dbraw/zinc/07/98/13/600079813.db2.gz YUDWUBFURLBRAO-UHFFFAOYSA-N 0 1 384.476 3.069 20 10 GGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000740098732 600281436 /nfs/dbraw/zinc/28/14/36/600281436.db2.gz TXQJVQXNWJNPHA-INIZCTEOSA-N 0 1 382.460 3.078 20 10 GGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000740098736 600281628 /nfs/dbraw/zinc/28/16/28/600281628.db2.gz TXQJVQXNWJNPHA-MRXNPFEDSA-N 0 1 382.460 3.078 20 10 GGCDMN CCO[C@H](C)c1noc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000829908292 600713910 /nfs/dbraw/zinc/71/39/10/600713910.db2.gz VONFJJAECFVWSA-GFCCVEGCSA-N 0 1 385.420 3.356 20 10 GGCDMN CCO[C@H](C)c1noc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000829908292 600713912 /nfs/dbraw/zinc/71/39/12/600713912.db2.gz VONFJJAECFVWSA-GFCCVEGCSA-N 0 1 385.420 3.356 20 10 GGCDMN O=C([O-])C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1O ZINC000739793690 600714561 /nfs/dbraw/zinc/71/45/61/600714561.db2.gz NCFGXPFQPMBHAA-UHFFFAOYSA-N 0 1 387.823 3.225 20 10 GGCDMN Cc1cc(C(=O)C[N@H+](C)C[C@H]2CCCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859784 600821808 /nfs/dbraw/zinc/82/18/08/600821808.db2.gz WSSFYEUJDLRNTK-QGZVFWFLSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+](C)C[C@H]2CCCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859784 600821810 /nfs/dbraw/zinc/82/18/10/600821810.db2.gz WSSFYEUJDLRNTK-QGZVFWFLSA-N 0 1 384.476 3.333 20 10 GGCDMN C[N@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccc(N2CCCCC2)cc1 ZINC000737397186 600914208 /nfs/dbraw/zinc/91/42/08/600914208.db2.gz PAMXCGSWWTZZSR-UHFFFAOYSA-N 0 1 381.476 3.446 20 10 GGCDMN C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccc(N2CCCCC2)cc1 ZINC000737397186 600914211 /nfs/dbraw/zinc/91/42/11/600914211.db2.gz PAMXCGSWWTZZSR-UHFFFAOYSA-N 0 1 381.476 3.446 20 10 GGCDMN CC[N@@H+](C)C[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000829613388 601041153 /nfs/dbraw/zinc/04/11/53/601041153.db2.gz JNKHPVIKPMUPMF-SFHVURJKSA-N 0 1 397.519 3.249 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859791 601594243 /nfs/dbraw/zinc/59/42/43/601594243.db2.gz XAKKRJHHPOCHNB-QGZVFWFLSA-N 0 1 396.487 3.476 20 10 GGCDMN CC[N@H+](CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C)C[C@H]1CCOC1 ZINC000829635663 601594451 /nfs/dbraw/zinc/59/44/51/601594451.db2.gz NZKSQSDZBCFKMZ-QGZVFWFLSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859579 601596243 /nfs/dbraw/zinc/59/62/43/601596243.db2.gz UCLHMLAHRWDRBR-FOIQADDNSA-N 0 1 397.519 3.390 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858428 601661479 /nfs/dbraw/zinc/66/14/79/601661479.db2.gz JPIJLZYWHUXKFZ-JOCHJYFZSA-N 0 1 382.460 3.087 20 10 GGCDMN Cc1cc(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858428 601661480 /nfs/dbraw/zinc/66/14/80/601661480.db2.gz JPIJLZYWHUXKFZ-JOCHJYFZSA-N 0 1 382.460 3.087 20 10 GGCDMN C[C@H](c1ccccc1)[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1O ZINC000827951100 601762057 /nfs/dbraw/zinc/76/20/57/601762057.db2.gz UWWWMYGIHOXTAP-QGZVFWFLSA-N 0 1 396.487 3.279 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000825946850 601898211 /nfs/dbraw/zinc/89/82/11/601898211.db2.gz SVDBIKKKJZDWNT-MRXNPFEDSA-N 0 1 385.313 3.409 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000825946850 601898213 /nfs/dbraw/zinc/89/82/13/601898213.db2.gz SVDBIKKKJZDWNT-MRXNPFEDSA-N 0 1 385.313 3.409 20 10 GGCDMN COc1cccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c1O ZINC000833735060 604775404 /nfs/dbraw/zinc/77/54/04/604775404.db2.gz BQOXETYNUPGVIZ-OAHLLOKOSA-N 0 1 380.238 3.421 20 10 GGCDMN O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000833310993 604916071 /nfs/dbraw/zinc/91/60/71/604916071.db2.gz SHXNHKJXFCBKMW-QGZVFWFLSA-N 0 1 388.851 3.138 20 10 GGCDMN O=C([O-])c1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000833328433 604916204 /nfs/dbraw/zinc/91/62/04/604916204.db2.gz LYWNPTNPMCAJPT-KRWDZBQOSA-N 0 1 388.851 3.138 20 10 GGCDMN O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000833328434 604916243 /nfs/dbraw/zinc/91/62/43/604916243.db2.gz LYWNPTNPMCAJPT-QGZVFWFLSA-N 0 1 388.851 3.138 20 10 GGCDMN Cc1cc(C(=O)CN2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000833752357 605195278 /nfs/dbraw/zinc/19/52/78/605195278.db2.gz RPVHSLDKZHBGPE-SFHVURJKSA-N 0 1 397.519 3.066 20 10 GGCDMN COc1cc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1OC ZINC000833729796 605247722 /nfs/dbraw/zinc/24/77/22/605247722.db2.gz OYKMOWVGUPZVQA-QGZVFWFLSA-N 0 1 385.338 3.084 20 10 GGCDMN CN(C)c1ccc(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000825879990 608857166 /nfs/dbraw/zinc/85/71/66/608857166.db2.gz UMULNNKVEVKNQW-UHFFFAOYSA-N 0 1 378.455 3.361 20 10 GGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826256712 609408386 /nfs/dbraw/zinc/40/83/86/609408386.db2.gz XIVWSFAPVSFISQ-UHFFFAOYSA-N 0 1 388.269 3.275 20 10 GGCDMN COc1ccc(N2CCCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000053773558 1406507030 /nfs/dbraw/zinc/50/70/30/1406507030.db2.gz BUNVQXDATNOUEV-QFIPXVFZSA-N 0 1 379.504 3.227 20 10 GGCDMN COc1ccc(NC(=O)[C@H](C)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000053774036 1406508064 /nfs/dbraw/zinc/50/80/64/1406508064.db2.gz JNWTUBJTEJDIHT-KRWDZBQOSA-N 0 1 383.492 3.243 20 10 GGCDMN COc1ccc(NC(=O)[C@@H](C)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000053774037 1406508507 /nfs/dbraw/zinc/50/85/07/1406508507.db2.gz JNWTUBJTEJDIHT-QGZVFWFLSA-N 0 1 383.492 3.243 20 10 GGCDMN CC[C@H]1CCCCN1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000053999546 1406583696 /nfs/dbraw/zinc/58/36/96/1406583696.db2.gz QRMYFACXWOQMFQ-IBGZPJMESA-N 0 1 388.556 3.181 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000011853384 1399015348 /nfs/dbraw/zinc/01/53/48/1399015348.db2.gz XFQQXJZIQWIIOU-UHFFFAOYSA-N 0 1 387.911 3.291 20 10 GGCDMN CCc1ccc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000011853390 1399015972 /nfs/dbraw/zinc/01/59/72/1399015972.db2.gz DCBUVGIMFKNJLO-UHFFFAOYSA-N 0 1 381.520 3.200 20 10 GGCDMN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387186 1399236765 /nfs/dbraw/zinc/23/67/65/1399236765.db2.gz PTCJQUCBXOGBIH-YXTQBTIXSA-N 0 1 387.568 3.284 20 10 GGCDMN Cc1cc(O)c(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1C ZINC000020636894 1399350783 /nfs/dbraw/zinc/35/07/83/1399350783.db2.gz IQAAXNHYOHDCOJ-UHFFFAOYSA-N 0 1 387.911 3.419 20 10 GGCDMN O=S(=O)(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc2nsnc21 ZINC000055631630 1407030943 /nfs/dbraw/zinc/03/09/43/1407030943.db2.gz WKMRWYIBXLVPNZ-CQSZACIVSA-N 0 1 391.474 3.050 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000043047796 1403696540 /nfs/dbraw/zinc/69/65/40/1403696540.db2.gz PVBNMGYYCXOKPC-RXVVDRJESA-N 0 1 388.556 3.085 20 10 GGCDMN C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000045543912 1404144250 /nfs/dbraw/zinc/14/42/50/1404144250.db2.gz KTNKECBGYUFLKU-GOSISDBHSA-N 0 1 380.536 3.341 20 10 GGCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C[C@@H](C)O1 ZINC000045787377 1404204333 /nfs/dbraw/zinc/20/43/33/1404204333.db2.gz FXRHVMSWKBEVCC-QZTJIDSGSA-N 0 1 397.519 3.343 20 10 GGCDMN Cc1cccc(N2CCN(CCCNC(=O)N(C)Cc3ccccc3O)CC2)c1 ZINC000046867514 1404618102 /nfs/dbraw/zinc/61/81/02/1404618102.db2.gz RGGQRGBONHFUFL-UHFFFAOYSA-N 0 1 396.535 3.054 20 10 GGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000824529161 1426910411 /nfs/dbraw/zinc/91/04/11/1426910411.db2.gz FEMODYLHIQUOSL-GJZGRUSLSA-N 0 1 396.470 3.254 20 10 GGCDMN COc1ccc2[nH]cc(C3=CCN(c4[nH+]ccc(C)c4-c4nnn[n-]4)CC3)c2c1 ZINC000826212302 1426917685 /nfs/dbraw/zinc/91/76/85/1426917685.db2.gz MFJWZKDUDDHOBC-UHFFFAOYSA-N 0 1 387.447 3.354 20 10 GGCDMN C[C@@H]1CN(c2ccc(CNC(=O)Cc3[nH]nc4ccccc43)cc2F)C[C@@H](C)O1 ZINC000050586627 1405608426 /nfs/dbraw/zinc/60/84/26/1405608426.db2.gz RHRFIBVHLDROBD-HUUCEWRRSA-N 0 1 396.466 3.175 20 10 GGCDMN C[C@@H]1CN(c2ccc(CNC(=O)Cc3[nH]nc4ccccc43)cc2F)C[C@H](C)O1 ZINC000050586621 1405608960 /nfs/dbraw/zinc/60/89/60/1405608960.db2.gz RHRFIBVHLDROBD-GASCZTMLSA-N 0 1 396.466 3.175 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)CC3CCCC3)CC2)cc1 ZINC000057609169 1407664208 /nfs/dbraw/zinc/66/42/08/1407664208.db2.gz ZSISWIMLIXAWGH-UHFFFAOYSA-N 0 1 388.556 3.039 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000176365078 1428272997 /nfs/dbraw/zinc/27/29/97/1428272997.db2.gz CLAYZPNIIBKHHY-GOSISDBHSA-N 0 1 388.556 3.037 20 10 GGCDMN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000065223930 1408654949 /nfs/dbraw/zinc/65/49/49/1408654949.db2.gz GQCRBNBHCLMZEJ-UHFFFAOYSA-N 0 1 399.457 3.383 20 10 GGCDMN COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C)cc3C)n2)c[nH]1 ZINC000066250930 1408796473 /nfs/dbraw/zinc/79/64/73/1408796473.db2.gz HABJHVBOQYQHGA-UHFFFAOYSA-N 0 1 391.474 3.342 20 10 GGCDMN Cc1cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176671302 1428399517 /nfs/dbraw/zinc/39/95/17/1428399517.db2.gz YHASYDYXIXOSLU-LJQANCHMSA-N 0 1 382.552 3.077 20 10 GGCDMN CCN(Cc1cccc(F)c1)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004832 1409811093 /nfs/dbraw/zinc/81/10/93/1409811093.db2.gz BATZZODWACKTPP-UHFFFAOYSA-N 0 1 399.510 3.143 20 10 GGCDMN CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000071004508 1409811183 /nfs/dbraw/zinc/81/11/83/1409811183.db2.gz KMGIPAPKSRIUSU-IRLDBZIGSA-N 0 1 385.552 3.136 20 10 GGCDMN CC(C)N(Cc1ccccc1)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124144 1409822922 /nfs/dbraw/zinc/82/29/22/1409822922.db2.gz PBFKFMKVGCDXEO-UHFFFAOYSA-N 0 1 395.547 3.392 20 10 GGCDMN COc1ccc(N2CCCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000092380807 1410148227 /nfs/dbraw/zinc/14/82/27/1410148227.db2.gz FQQHXYBBPGIVDP-UHFFFAOYSA-N 0 1 386.492 3.433 20 10 GGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000092506730 1410163596 /nfs/dbraw/zinc/16/35/96/1410163596.db2.gz RGKRGZJOWMEEEP-LZWOXQAQSA-N 0 1 383.330 3.228 20 10 GGCDMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000092665479 1410186167 /nfs/dbraw/zinc/18/61/67/1410186167.db2.gz GBAUUVJOFDBTDM-IYBDPMFKSA-N 0 1 396.373 3.145 20 10 GGCDMN COc1cc(Br)cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000092706042 1410190960 /nfs/dbraw/zinc/19/09/60/1410190960.db2.gz CAYOMJFVOXILQC-ZDUSSCGKSA-N 0 1 399.329 3.148 20 10 GGCDMN CCOc1cccc(CN(CCO)Cc2cnn(Cc3ccccc3)c2)c1O ZINC000093359043 1410238602 /nfs/dbraw/zinc/23/86/02/1410238602.db2.gz AGASOOGZYFNBLI-UHFFFAOYSA-N 0 1 381.476 3.030 20 10 GGCDMN COc1ccc(CN(CCO)Cc2cc(Br)ccc2O)c(OC)c1 ZINC000093363658 1410240136 /nfs/dbraw/zinc/24/01/36/1410240136.db2.gz PROUKVPPHVULTH-UHFFFAOYSA-N 0 1 396.281 3.166 20 10 GGCDMN COc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2[O-])c(OC)c1 ZINC000093363764 1410240297 /nfs/dbraw/zinc/24/02/97/1410240297.db2.gz PDKMYIFNXOHPJP-UHFFFAOYSA-N 0 1 396.281 3.166 20 10 GGCDMN CCOc1cccc(CN2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1O ZINC000093841066 1410274042 /nfs/dbraw/zinc/27/40/42/1410274042.db2.gz BMWGYZDYOAFYAD-UHFFFAOYSA-N 0 1 386.492 3.126 20 10 GGCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)n1 ZINC000102885253 1410804023 /nfs/dbraw/zinc/80/40/23/1410804023.db2.gz SFLXIWWROHHPOU-INIZCTEOSA-N 0 1 393.443 3.400 20 10 GGCDMN CCN(C)[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000103190472 1410836367 /nfs/dbraw/zinc/83/63/67/1410836367.db2.gz ZJOUECPIWWXWCO-HSZRJFAPSA-N 0 1 395.547 3.205 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000103508182 1410864734 /nfs/dbraw/zinc/86/47/34/1410864734.db2.gz PJBAHDOTYGCFPH-HZPDHXFCSA-N 0 1 383.492 3.208 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000103608161 1410868975 /nfs/dbraw/zinc/86/89/75/1410868975.db2.gz XQCCDEVGFSDPAC-FZKQIMNGSA-N 0 1 375.444 3.203 20 10 GGCDMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611753 1410869015 /nfs/dbraw/zinc/86/90/15/1410869015.db2.gz GWNBAIXCXXHXAQ-WMLDXEAASA-N 0 1 375.469 3.437 20 10 GGCDMN CCN(CC)[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000104855333 1410979883 /nfs/dbraw/zinc/97/98/83/1410979883.db2.gz IRDZYMQSJUBYKW-JOCHJYFZSA-N 0 1 399.510 3.362 20 10 GGCDMN O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000105472820 1411070619 /nfs/dbraw/zinc/07/06/19/1411070619.db2.gz IREYZBIGUXEVEV-UHFFFAOYSA-N 0 1 394.924 3.236 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cccc(OC)c3)cc2F)CC1 ZINC000106506590 1411225251 /nfs/dbraw/zinc/22/52/51/1411225251.db2.gz STHDGHYMVAFTJF-UHFFFAOYSA-N 0 1 386.471 3.298 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccc(F)cc3)cc2F)CC1 ZINC000106506620 1411227092 /nfs/dbraw/zinc/22/70/92/1411227092.db2.gz DOFMIOSRCYNCMV-UHFFFAOYSA-N 0 1 388.462 3.106 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N(C)C)cc3)cc2F)CC1 ZINC000106584788 1411258107 /nfs/dbraw/zinc/25/81/07/1411258107.db2.gz ZSLJCGGKSHGHNK-UHFFFAOYSA-N 0 1 399.514 3.355 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccncc3)cc2F)CC1 ZINC000106584768 1411258349 /nfs/dbraw/zinc/25/83/49/1411258349.db2.gz JOOUCJWMDFXIRP-QGZVFWFLSA-N 0 1 399.514 3.265 20 10 GGCDMN CCCN(CC(F)F)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106584906 1411258569 /nfs/dbraw/zinc/25/85/69/1411258569.db2.gz CGMIKZNTLHKXQH-UHFFFAOYSA-N 0 1 386.462 3.154 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000106702248 1411279617 /nfs/dbraw/zinc/27/96/17/1411279617.db2.gz GNWUJEHUYITTGN-QGZVFWFLSA-N 0 1 399.510 3.396 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2F)CC1 ZINC000106701972 1411280165 /nfs/dbraw/zinc/28/01/65/1411280165.db2.gz HARQCWYJYAMILR-UHFFFAOYSA-N 0 1 394.494 3.308 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccc(C)c(OC)c3)cc2F)CC1 ZINC000106701930 1411280244 /nfs/dbraw/zinc/28/02/44/1411280244.db2.gz IDAYQEMSIFMFQZ-UHFFFAOYSA-N 0 1 399.510 3.144 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)OCc3ccccc3)cc2F)CC1 ZINC000106702431 1411281347 /nfs/dbraw/zinc/28/13/47/1411281347.db2.gz QEXBILZWGJTAHO-SFHVURJKSA-N 0 1 399.510 3.189 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCc3ccsc3)cc2F)CC1 ZINC000106702667 1411281455 /nfs/dbraw/zinc/28/14/55/1411281455.db2.gz ZBQHXCDJNQXMST-UHFFFAOYSA-N 0 1 375.513 3.278 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1c1ccc(C)cc1)cc2=O ZINC000108096638 1411438252 /nfs/dbraw/zinc/43/82/52/1411438252.db2.gz HWBMCQQGAUMMQQ-SFHVURJKSA-N 0 1 380.448 3.257 20 10 GGCDMN CC(C)[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc2c(c1)OCCCO2 ZINC000109771659 1411808905 /nfs/dbraw/zinc/80/89/05/1411808905.db2.gz IBRVKMZKHAPSSR-QHCPKHFHSA-N 0 1 398.503 3.499 20 10 GGCDMN C[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(Br)cc1 ZINC000109769352 1411809143 /nfs/dbraw/zinc/80/91/43/1411809143.db2.gz NTCFVYXACBESLW-CYBMUJFWSA-N 0 1 377.282 3.464 20 10 GGCDMN O=C(c1c[nH]c2ccccc2c1=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109891639 1411816645 /nfs/dbraw/zinc/81/66/45/1411816645.db2.gz DYGPAMNROCEOIN-INIZCTEOSA-N 0 1 378.428 3.055 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(C(C)=O)cc3)cc2F)CC1 ZINC000110305401 1411843359 /nfs/dbraw/zinc/84/33/59/1411843359.db2.gz RBPYKHUPTXWDJY-UHFFFAOYSA-N 0 1 383.467 3.100 20 10 GGCDMN CCN(C)[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000110965752 1411879321 /nfs/dbraw/zinc/87/93/21/1411879321.db2.gz RGOXDPPWVIVKIZ-JOCHJYFZSA-N 0 1 381.520 3.427 20 10 GGCDMN CC(C)N(CC(F)(F)F)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232884 1411896711 /nfs/dbraw/zinc/89/67/11/1411896711.db2.gz HYXNKLIYCYKFHG-INIZCTEOSA-N 0 1 388.430 3.173 20 10 GGCDMN CN(CC(=O)N(C)Cc1ccccc1Br)Cc1ccccc1O ZINC000111235944 1411896901 /nfs/dbraw/zinc/89/69/01/1411896901.db2.gz UQHJXXOUUGSUJK-UHFFFAOYSA-N 0 1 377.282 3.245 20 10 GGCDMN CN(CC(=O)NCCc1ccc(OC(F)(F)F)cc1)Cc1ccccc1O ZINC000111235415 1411897055 /nfs/dbraw/zinc/89/70/55/1411897055.db2.gz CEGKYAJBIFFSPC-UHFFFAOYSA-N 0 1 382.382 3.082 20 10 GGCDMN Cc1ccc(CN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)o1 ZINC000112599338 1412176787 /nfs/dbraw/zinc/17/67/87/1412176787.db2.gz WTXXGDCITCKJCL-FQEVSTJZSA-N 0 1 398.503 3.466 20 10 GGCDMN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2nc[nH]n2)cc1 ZINC000177205838 1428631271 /nfs/dbraw/zinc/63/12/71/1428631271.db2.gz FWDUVKOGNLPPIT-UHFFFAOYSA-N 0 1 379.464 3.045 20 10 GGCDMN CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000112816946 1412221134 /nfs/dbraw/zinc/22/11/34/1412221134.db2.gz QFKPUHGJAOSYBY-NRFANRHFSA-N 0 1 391.531 3.322 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1O ZINC000177263721 1428660494 /nfs/dbraw/zinc/66/04/94/1428660494.db2.gz UTOGGEKOSHOIHT-UHFFFAOYSA-N 0 1 385.439 3.288 20 10 GGCDMN CCc1ccc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000115343381 1412654047 /nfs/dbraw/zinc/65/40/47/1412654047.db2.gz UXYDLIXAHQDCDY-UHFFFAOYSA-N 0 1 387.549 3.261 20 10 GGCDMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1F ZINC000177281095 1428668964 /nfs/dbraw/zinc/66/89/64/1428668964.db2.gz OESJLJZJWDQRMU-UHFFFAOYSA-N 0 1 398.413 3.326 20 10 GGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1[O-] ZINC000177283893 1428670433 /nfs/dbraw/zinc/67/04/33/1428670433.db2.gz ZAOKTHCNXJMBDA-SFHVURJKSA-N 0 1 377.868 3.258 20 10 GGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1[O-] ZINC000177283893 1428670435 /nfs/dbraw/zinc/67/04/35/1428670435.db2.gz ZAOKTHCNXJMBDA-SFHVURJKSA-N 0 1 377.868 3.258 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CSc4ccccc43)cc2F)CC1 ZINC000118224232 1413127856 /nfs/dbraw/zinc/12/78/56/1413127856.db2.gz GYWLFUVLINYWIF-GOSISDBHSA-N 0 1 399.535 3.473 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C/c3ncccc3C(F)(F)F)SC2=S)CC1 ZINC000119791777 1413570644 /nfs/dbraw/zinc/57/06/44/1413570644.db2.gz CRAHAZLHNIECME-LCYFTJDESA-N 0 1 387.452 3.396 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000120239218 1413745704 /nfs/dbraw/zinc/74/57/04/1413745704.db2.gz QZTBCNALMCUFTM-FQEVSTJZSA-N 0 1 394.515 3.417 20 10 GGCDMN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CN(C)[C@H]2CCSC2)cc1 ZINC000120366860 1413803395 /nfs/dbraw/zinc/80/33/95/1413803395.db2.gz YHVBBKXUULFRMR-INIZCTEOSA-N 0 1 389.487 3.081 20 10 GGCDMN C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120860870 1413929690 /nfs/dbraw/zinc/92/96/90/1413929690.db2.gz VWNJZGQQYZUYIA-LJQANCHMSA-N 0 1 385.552 3.350 20 10 GGCDMN C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120864274 1413930291 /nfs/dbraw/zinc/93/02/91/1413930291.db2.gz SQWYQWQNTQKPRJ-HNNXBMFYSA-N 0 1 388.899 3.031 20 10 GGCDMN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120864274 1413930299 /nfs/dbraw/zinc/93/02/99/1413930299.db2.gz SQWYQWQNTQKPRJ-HNNXBMFYSA-N 0 1 388.899 3.031 20 10 GGCDMN C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120864434 1413930432 /nfs/dbraw/zinc/93/04/32/1413930432.db2.gz SQWYQWQNTQKPRJ-OAHLLOKOSA-N 0 1 388.899 3.031 20 10 GGCDMN C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120864434 1413930439 /nfs/dbraw/zinc/93/04/39/1413930439.db2.gz SQWYQWQNTQKPRJ-OAHLLOKOSA-N 0 1 388.899 3.031 20 10 GGCDMN COc1cc(OC)c(OC)cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120866301 1413931306 /nfs/dbraw/zinc/93/13/06/1413931306.db2.gz ZETFXFOJPSSDAY-UHFFFAOYSA-N 0 1 386.492 3.181 20 10 GGCDMN CCOCCC1(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCC1 ZINC000120959468 1413959788 /nfs/dbraw/zinc/95/97/88/1413959788.db2.gz FRVNDXNZEIVWDN-UHFFFAOYSA-N 0 1 391.531 3.181 20 10 GGCDMN COc1ccc(N2CCCN(Cn3nc(C)c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000121113605 1414012516 /nfs/dbraw/zinc/01/25/16/1414012516.db2.gz XOBLHSDBSBUOIK-UHFFFAOYSA-N 0 1 395.463 3.431 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000121195250 1414040688 /nfs/dbraw/zinc/04/06/88/1414040688.db2.gz QJUIMTFUGADSFW-OALUTQOASA-N 0 1 388.556 3.085 20 10 GGCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000121301368 1414077166 /nfs/dbraw/zinc/07/71/66/1414077166.db2.gz FPZCCGKLAOLJMP-UHFFFAOYSA-N 0 1 391.855 3.422 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CN(CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000121486756 1414145583 /nfs/dbraw/zinc/14/55/83/1414145583.db2.gz BFNPXRLRIURPFO-QHCPKHFHSA-N 0 1 395.547 3.083 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CN(CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000121486568 1414145675 /nfs/dbraw/zinc/14/56/75/1414145675.db2.gz BFNPXRLRIURPFO-HSZRJFAPSA-N 0 1 395.547 3.083 20 10 GGCDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000122160457 1414376069 /nfs/dbraw/zinc/37/60/69/1414376069.db2.gz VPMXKGLWSOITHW-KRWDZBQOSA-N 0 1 390.574 3.192 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)c1ccc(F)c(F)c1)cc2=O ZINC000122207315 1414388442 /nfs/dbraw/zinc/38/84/42/1414388442.db2.gz DYZWTSXWRDDHPU-LLVKDONJSA-N 0 1 390.390 3.083 20 10 GGCDMN C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000122216160 1414391591 /nfs/dbraw/zinc/39/15/91/1414391591.db2.gz OYRWLUWCHBVQOP-ZWKOTPCHSA-N 0 1 388.533 3.036 20 10 GGCDMN Cc1[nH]c(SCC(=O)NCCc2ccc(O)c(O)c2)nc1Cc1ccccc1 ZINC000122239550 1414397507 /nfs/dbraw/zinc/39/75/07/1414397507.db2.gz PSKFEYZHAPXTFV-UHFFFAOYSA-N 0 1 397.500 3.171 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccn3C(C)C)CC2)cc1 ZINC000122253176 1414402036 /nfs/dbraw/zinc/40/20/36/1414402036.db2.gz VDUQIYBQBQZXMD-UHFFFAOYSA-N 0 1 384.524 3.020 20 10 GGCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122935256 1414600619 /nfs/dbraw/zinc/60/06/19/1414600619.db2.gz YSAXDQHMYZGAEZ-CQSZACIVSA-N 0 1 376.497 3.462 20 10 GGCDMN COc1ccc(N2CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F ZINC000177712669 1428840112 /nfs/dbraw/zinc/84/01/12/1428840112.db2.gz JNJUCESXRRYZTK-INIZCTEOSA-N 0 1 393.503 3.213 20 10 GGCDMN COc1ccc(-c2noc(CN3CCN(Cc4cc(C)ccc4O)CC3)n2)cc1 ZINC000124057353 1414877503 /nfs/dbraw/zinc/87/75/03/1414877503.db2.gz ZXFKWHVKLCINBZ-UHFFFAOYSA-N 0 1 394.475 3.077 20 10 GGCDMN Cc1cc(C(=O)CN2CCN(C3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000177751231 1428850122 /nfs/dbraw/zinc/85/01/22/1428850122.db2.gz DJRSYMYWCFHPMK-UHFFFAOYSA-N 0 1 395.547 3.382 20 10 GGCDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000177829009 1428866681 /nfs/dbraw/zinc/86/66/81/1428866681.db2.gz GOBPMSUGCGKMRT-LLVKDONJSA-N 0 1 388.269 3.466 20 10 GGCDMN CC1CCN(c2cccc(NS(=O)(=O)c3cccc4c3COC4=O)c2)CC1 ZINC000125516791 1415218874 /nfs/dbraw/zinc/21/88/74/1415218874.db2.gz CFRSXIBZPJVUJF-UHFFFAOYSA-N 0 1 386.473 3.394 20 10 GGCDMN Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127221392 1415692528 /nfs/dbraw/zinc/69/25/28/1415692528.db2.gz IJPIUJXPBGXFOE-FQEVSTJZSA-N 0 1 395.547 3.311 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000178107061 1428984646 /nfs/dbraw/zinc/98/46/46/1428984646.db2.gz GAVKTKBPWZBECP-SFHVURJKSA-N 0 1 385.483 3.028 20 10 GGCDMN CCN(C)c1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000129877711 1416278298 /nfs/dbraw/zinc/27/82/98/1416278298.db2.gz XBZXWYNARWCTTP-MRXNPFEDSA-N 0 1 375.538 3.244 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129924523 1416285468 /nfs/dbraw/zinc/28/54/68/1416285468.db2.gz XLKDSRZVRVSCLO-SWLSCSKDSA-N 0 1 396.329 3.311 20 10 GGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000131004679 1416494658 /nfs/dbraw/zinc/49/46/58/1416494658.db2.gz UBBQEYCMFWLCPD-ZDUSSCGKSA-N 0 1 386.673 3.338 20 10 GGCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000133607461 1416917585 /nfs/dbraw/zinc/91/75/85/1416917585.db2.gz HOOROIPGEAPPBA-HXUWFJFHSA-N 0 1 381.524 3.038 20 10 GGCDMN Cc1ccc(N2CC[C@H](N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000133665314 1416934492 /nfs/dbraw/zinc/93/44/92/1416934492.db2.gz DRGKCFAUPXBPPK-QFIPXVFZSA-N 0 1 379.504 3.069 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000133708583 1416947818 /nfs/dbraw/zinc/94/78/18/1416947818.db2.gz PWIAJOGLFMSWEW-OAQYLSRUSA-N 0 1 399.922 3.414 20 10 GGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=S ZINC000134258981 1417045864 /nfs/dbraw/zinc/04/58/64/1417045864.db2.gz ZTIBYUOTXSDWSY-AWEZNQCLSA-N 0 1 377.897 3.124 20 10 GGCDMN O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=S ZINC000134258981 1417045868 /nfs/dbraw/zinc/04/58/68/1417045868.db2.gz ZTIBYUOTXSDWSY-AWEZNQCLSA-N 0 1 377.897 3.124 20 10 GGCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=S ZINC000134258981 1417045873 /nfs/dbraw/zinc/04/58/73/1417045873.db2.gz ZTIBYUOTXSDWSY-AWEZNQCLSA-N 0 1 377.897 3.124 20 10 GGCDMN C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000134263093 1417046503 /nfs/dbraw/zinc/04/65/03/1417046503.db2.gz KFJYFXQKCQQKSS-ZTFGCOKTSA-N 0 1 380.916 3.474 20 10 GGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nc1 ZINC000134264846 1417046550 /nfs/dbraw/zinc/04/65/50/1417046550.db2.gz GEKUIEPTKBZGSI-HNNXBMFYSA-N 0 1 380.275 3.488 20 10 GGCDMN Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134264958 1417046584 /nfs/dbraw/zinc/04/65/84/1417046584.db2.gz MUNRUHXIAFGYGN-QGZVFWFLSA-N 0 1 391.899 3.364 20 10 GGCDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178730673 1429154257 /nfs/dbraw/zinc/15/42/57/1429154257.db2.gz QUFYFELIRFVEQK-AWEZNQCLSA-N 0 1 389.427 3.430 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134811695 1417130347 /nfs/dbraw/zinc/13/03/47/1417130347.db2.gz LRWKRPSMQVANEH-YADHBBJMSA-N 0 1 399.510 3.096 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000135438375 1417220139 /nfs/dbraw/zinc/22/01/39/1417220139.db2.gz YOULNANLFJHTPQ-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000135438375 1417220144 /nfs/dbraw/zinc/22/01/44/1417220144.db2.gz YOULNANLFJHTPQ-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN Cc1cc(C(=O)CN2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(F)c1 ZINC000178820781 1429183526 /nfs/dbraw/zinc/18/35/26/1429183526.db2.gz JFGCHINFSUHFQL-IBGZPJMESA-N 0 1 399.510 3.070 20 10 GGCDMN CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1cccc(F)c1 ZINC000151698836 1418065377 /nfs/dbraw/zinc/06/53/77/1418065377.db2.gz AXHVNNBSCIUARJ-HNNXBMFYSA-N 0 1 382.530 3.367 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C)nc3C)CC2)cc1 ZINC000152190456 1418169245 /nfs/dbraw/zinc/16/92/45/1418169245.db2.gz GKGLUPAACIFADA-UHFFFAOYSA-N 0 1 397.523 3.041 20 10 GGCDMN CCCCNC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179329740 1429330267 /nfs/dbraw/zinc/33/02/67/1429330267.db2.gz NROSBNMMJFABTE-UHFFFAOYSA-N 0 1 399.329 3.292 20 10 GGCDMN CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000179530135 1429412248 /nfs/dbraw/zinc/41/22/48/1429412248.db2.gz FGQNCLFHFBECOA-UHFFFAOYSA-N 0 1 375.812 3.471 20 10 GGCDMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000179530135 1429412254 /nfs/dbraw/zinc/41/22/54/1429412254.db2.gz FGQNCLFHFBECOA-UHFFFAOYSA-N 0 1 375.812 3.471 20 10 GGCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179582809 1429451861 /nfs/dbraw/zinc/45/18/61/1429451861.db2.gz JWJPYCVGFMUXKV-CQSZACIVSA-N 0 1 377.435 3.321 20 10 GGCDMN COc1cc(C)c([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000179623873 1429476160 /nfs/dbraw/zinc/47/61/60/1429476160.db2.gz CDBNLEXZBKDTHG-MRXNPFEDSA-N 0 1 385.508 3.045 20 10 GGCDMN CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1ccc(F)cc1 ZINC000152603968 1422159420 /nfs/dbraw/zinc/15/94/20/1422159420.db2.gz HCWMFFIAWDTCID-HNNXBMFYSA-N 0 1 382.530 3.367 20 10 GGCDMN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccc(F)cc1 ZINC000152604041 1422160123 /nfs/dbraw/zinc/16/01/23/1422160123.db2.gz HCWMFFIAWDTCID-OAHLLOKOSA-N 0 1 382.530 3.367 20 10 GGCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179766295 1429548675 /nfs/dbraw/zinc/54/86/75/1429548675.db2.gz SURYVFQWLVFWNF-MRXNPFEDSA-N 0 1 394.519 3.068 20 10 GGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179777316 1429556445 /nfs/dbraw/zinc/55/64/45/1429556445.db2.gz OYCKPFYJGKLUDB-GFCCVEGCSA-N 0 1 387.827 3.376 20 10 GGCDMN CCOc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000153317904 1422466683 /nfs/dbraw/zinc/46/66/83/1422466683.db2.gz KLKGPPPHJQQAOG-SFHVURJKSA-N 0 1 397.519 3.381 20 10 GGCDMN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000153345407 1422482057 /nfs/dbraw/zinc/48/20/57/1422482057.db2.gz UXBHZIDESMMPLS-KRWDZBQOSA-N 0 1 385.483 3.430 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3c(F)cc(F)cc3F)cc2F)CC1 ZINC000154772669 1423027857 /nfs/dbraw/zinc/02/78/57/1423027857.db2.gz CZFPTCWXWZCMBM-UHFFFAOYSA-N 0 1 395.400 3.315 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C/c3cccc(-n4cccn4)c3)SC2=S)CC1 ZINC000155388476 1423343707 /nfs/dbraw/zinc/34/37/07/1423343707.db2.gz VAJAPUFVQXDING-LGMDPLHJSA-N 0 1 384.530 3.168 20 10 GGCDMN COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826193634 1429676496 /nfs/dbraw/zinc/67/64/96/1429676496.db2.gz JNZUVFLKPAUWOB-UHFFFAOYSA-N 0 1 378.480 3.106 20 10 GGCDMN COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826193634 1429676503 /nfs/dbraw/zinc/67/65/03/1429676503.db2.gz JNZUVFLKPAUWOB-UHFFFAOYSA-N 0 1 378.480 3.106 20 10 GGCDMN COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826193634 1429676508 /nfs/dbraw/zinc/67/65/08/1429676508.db2.gz JNZUVFLKPAUWOB-UHFFFAOYSA-N 0 1 378.480 3.106 20 10 GGCDMN CC[N@@H+](CCS(C)(=O)=O)Cc1c(O)ccc2cc(Br)ccc21 ZINC000156937386 1423889474 /nfs/dbraw/zinc/88/94/74/1423889474.db2.gz KUYTXTYOIIWDMV-UHFFFAOYSA-N 0 1 386.311 3.174 20 10 GGCDMN CCN(CCS(C)(=O)=O)Cc1c(O)ccc2cc(Br)ccc21 ZINC000156937386 1423889484 /nfs/dbraw/zinc/88/94/84/1423889484.db2.gz KUYTXTYOIIWDMV-UHFFFAOYSA-N 0 1 386.311 3.174 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000156983448 1423897347 /nfs/dbraw/zinc/89/73/47/1423897347.db2.gz PDQBKZPJWSHDBQ-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000156983448 1423897349 /nfs/dbraw/zinc/89/73/49/1423897349.db2.gz PDQBKZPJWSHDBQ-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826256560 1424461136 /nfs/dbraw/zinc/46/11/36/1424461136.db2.gz PKXUWWWVDTXDAD-LLVKDONJSA-N 0 1 388.269 3.494 20 10 GGCDMN CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(Br)c1[O-] ZINC000160234249 1424588863 /nfs/dbraw/zinc/58/88/63/1424588863.db2.gz VXPXEKBTYZGFHZ-UHFFFAOYSA-N 0 1 395.272 3.432 20 10 GGCDMN Nc1ccc(NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000160330210 1424596232 /nfs/dbraw/zinc/59/62/32/1424596232.db2.gz SQJZUWHGFUMPKQ-UHFFFAOYSA-N 0 1 382.489 3.467 20 10 GGCDMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161215530 1424667867 /nfs/dbraw/zinc/66/78/67/1424667867.db2.gz JXFWRROCSXLKIU-SJORKVTESA-N 0 1 385.483 3.018 20 10 GGCDMN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000161967562 1424804286 /nfs/dbraw/zinc/80/42/86/1424804286.db2.gz XHHBSAARMKUDSM-GOSISDBHSA-N 0 1 399.510 3.141 20 10 GGCDMN CN1CCCc2cc(CNC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)ccc21 ZINC000163115496 1424943313 /nfs/dbraw/zinc/94/33/13/1424943313.db2.gz QJDGGKGVXDFSOC-GOSISDBHSA-N 0 1 394.523 3.154 20 10 GGCDMN O=C(NCCCSc1nccs1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163262295 1424968582 /nfs/dbraw/zinc/96/85/82/1424968582.db2.gz OLDDBBLLBJQQPT-ZDUSSCGKSA-N 0 1 392.554 3.210 20 10 GGCDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000163704580 1425036065 /nfs/dbraw/zinc/03/60/65/1425036065.db2.gz WIEYAYDJDDEEDE-QGZVFWFLSA-N 0 1 381.524 3.172 20 10 GGCDMN Cc1cc(C)c(O)c(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000164164586 1425082568 /nfs/dbraw/zinc/08/25/68/1425082568.db2.gz RPIBIKYWCJFJJI-UHFFFAOYSA-N 0 1 377.488 3.377 20 10 GGCDMN Cc1cc(C)c(O)c(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000164206057 1425087257 /nfs/dbraw/zinc/08/72/57/1425087257.db2.gz RBBKNNLLLPYRGC-UHFFFAOYSA-N 0 1 377.506 3.313 20 10 GGCDMN COc1ccc(CCC(=O)N2CCN(Cc3cc(C)cc(C)c3O)CC2)cc1 ZINC000164214050 1425088284 /nfs/dbraw/zinc/08/82/84/1425088284.db2.gz SLDAYNVCYBVWDZ-UHFFFAOYSA-N 0 1 382.504 3.295 20 10 GGCDMN CN1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610774 1425128832 /nfs/dbraw/zinc/12/88/32/1425128832.db2.gz KZBHTNSXANZFDV-XLIONFOSSA-N 0 1 380.488 3.245 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000170903691 1425386472 /nfs/dbraw/zinc/38/64/72/1425386472.db2.gz OMTDOQDCAFVCQB-UHFFFAOYSA-N 0 1 394.515 3.294 20 10 GGCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000171118652 1425492319 /nfs/dbraw/zinc/49/23/19/1425492319.db2.gz WTBAEUDRSVPEGI-AWEZNQCLSA-N 0 1 390.325 3.482 20 10 GGCDMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000826182450 1425525280 /nfs/dbraw/zinc/52/52/80/1425525280.db2.gz KCFNZQPFGXVQMI-UHFFFAOYSA-N 0 1 380.496 3.352 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCc3cccs3)cc2F)CC1 ZINC000171693498 1425791729 /nfs/dbraw/zinc/79/17/29/1425791729.db2.gz ZFQCRXVGGJKDLN-UHFFFAOYSA-N 0 1 376.501 3.029 20 10 GGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000172712382 1426155365 /nfs/dbraw/zinc/15/53/65/1426155365.db2.gz WITMMZRVQXRHFN-UHFFFAOYSA-N 0 1 394.563 3.162 20 10 GGCDMN CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1F ZINC000821197475 1426275448 /nfs/dbraw/zinc/27/54/48/1426275448.db2.gz LMFDNUQSENVNNL-UHFFFAOYSA-N 0 1 384.459 3.150 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2F)CC1 ZINC000173114328 1426349678 /nfs/dbraw/zinc/34/96/78/1426349678.db2.gz ROVLVVHTTBUDQL-UHFFFAOYSA-N 0 1 391.437 3.105 20 10 GGCDMN Cc1nsc(N2CCCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)n1 ZINC000173410878 1426594619 /nfs/dbraw/zinc/59/46/19/1426594619.db2.gz NOXPXPYQCCUQTG-UHFFFAOYSA-N 0 1 376.526 3.268 20 10 GGCDMN NC(=O)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282757 1427084266 /nfs/dbraw/zinc/08/42/66/1427084266.db2.gz NSPFQYLLVGKCBA-YJBOKZPZSA-N 0 1 393.409 3.212 20 10 GGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COCc1ccco1 ZINC000174426328 1427151593 /nfs/dbraw/zinc/15/15/93/1427151593.db2.gz OKTMPIBZINERDP-HNNXBMFYSA-N 0 1 384.270 3.147 20 10 GGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COCc1ccco1 ZINC000174426328 1427151597 /nfs/dbraw/zinc/15/15/97/1427151597.db2.gz OKTMPIBZINERDP-HNNXBMFYSA-N 0 1 384.270 3.147 20 10 GGCDMN CN(CCNC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000175634521 1427838973 /nfs/dbraw/zinc/83/89/73/1427838973.db2.gz KUXQLYQKOIWDOR-UHFFFAOYSA-N 0 1 384.499 3.357 20 10 GGCDMN CCOc1ccc(O)c(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825643105 1428000180 /nfs/dbraw/zinc/00/01/80/1428000180.db2.gz ITWGCWWTGFJJBA-UHFFFAOYSA-N 0 1 377.448 3.260 20 10 GGCDMN Oc1c(Br)cccc1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180715576 1429996449 /nfs/dbraw/zinc/99/64/49/1429996449.db2.gz QBIYXFOTUOSWRV-WMZOPIPTSA-N 0 1 392.293 3.479 20 10 GGCDMN Oc1c(Br)cccc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180715559 1429996565 /nfs/dbraw/zinc/99/65/65/1429996565.db2.gz QBIYXFOTUOSWRV-FUHWJXTLSA-N 0 1 392.293 3.479 20 10 GGCDMN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961559 1430138030 /nfs/dbraw/zinc/13/80/30/1430138030.db2.gz SZTPRXVTDVLUDL-BEFAXECRSA-N 0 1 385.487 3.006 20 10 GGCDMN CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000181034606 1430178686 /nfs/dbraw/zinc/17/86/86/1430178686.db2.gz NPKQHQXDYSVVAZ-NSHDSACASA-N 0 1 396.896 3.007 20 10 GGCDMN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000181807513 1430364611 /nfs/dbraw/zinc/36/46/11/1430364611.db2.gz FYFUXYWLEGOUAY-MRXNPFEDSA-N 0 1 384.480 3.278 20 10 GGCDMN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000181807532 1430364637 /nfs/dbraw/zinc/36/46/37/1430364637.db2.gz FYFUXYWLEGOUAY-INIZCTEOSA-N 0 1 384.480 3.278 20 10 GGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1[O-] ZINC000182149927 1430420599 /nfs/dbraw/zinc/42/05/99/1430420599.db2.gz UMDSVCPPVHMUKN-HXUWFJFHSA-N 0 1 388.895 3.411 20 10 GGCDMN C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1[O-] ZINC000184980967 1431035446 /nfs/dbraw/zinc/03/54/46/1431035446.db2.gz KVBVBPPCWJYXSM-SFHVURJKSA-N 0 1 391.519 3.198 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000185146423 1431071867 /nfs/dbraw/zinc/07/18/67/1431071867.db2.gz UOVFXWMSHVBHCS-CQSZACIVSA-N 0 1 392.521 3.328 20 10 GGCDMN C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)ccc1O ZINC000185146672 1431072046 /nfs/dbraw/zinc/07/20/46/1431072046.db2.gz DHZVQMITNHXOTE-ZDUSSCGKSA-N 0 1 380.485 3.459 20 10 GGCDMN C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)ccc1O ZINC000185146693 1431072106 /nfs/dbraw/zinc/07/21/06/1431072106.db2.gz DHZVQMITNHXOTE-CYBMUJFWSA-N 0 1 380.485 3.459 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)/C=C/c3scnc3C)cc2F)CC1 ZINC000186463161 1431426753 /nfs/dbraw/zinc/42/67/53/1431426753.db2.gz MPEBIOPOPDOHFX-VOTSOKGWSA-N 0 1 388.512 3.062 20 10 GGCDMN Cc1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC000186663020 1431484138 /nfs/dbraw/zinc/48/41/38/1431484138.db2.gz VPANSLWYECPIEP-SFHVURJKSA-N 0 1 383.492 3.105 20 10 GGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188751334 1431958156 /nfs/dbraw/zinc/95/81/56/1431958156.db2.gz HLGCZSKAPJTIFR-MRXNPFEDSA-N 0 1 375.538 3.073 20 10 GGCDMN O=C(c1cccc(NCc2cc(Cl)cc(Cl)c2O)n1)N1CCC[C@H]1CO ZINC000190076873 1432315177 /nfs/dbraw/zinc/31/51/77/1432315177.db2.gz HHJGYIGFZDVVJB-ZDUSSCGKSA-N 0 1 396.274 3.303 20 10 GGCDMN CCN1CCN(c2ccc(CNCc3nccn3-c3ccccc3)cc2F)CC1 ZINC000190981950 1432542643 /nfs/dbraw/zinc/54/26/43/1432542643.db2.gz UWXSCTOOLSKDKK-UHFFFAOYSA-N 0 1 393.510 3.443 20 10 GGCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])CC1CC(O)C1 ZINC000191161340 1432579399 /nfs/dbraw/zinc/57/93/99/1432579399.db2.gz QRSVIOWRTJZQNI-UHFFFAOYSA-N 0 1 379.092 3.120 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCS[C@H](C)CC3)cc2F)CC1 ZINC000192427489 1432843933 /nfs/dbraw/zinc/84/39/33/1432843933.db2.gz GYBOKMMFNVKYSZ-MRXNPFEDSA-N 0 1 394.560 3.005 20 10 GGCDMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc2c(cc1O)OCO2 ZINC000192479000 1432849748 /nfs/dbraw/zinc/84/97/48/1432849748.db2.gz OBMLMBTXTPEEJA-UHFFFAOYSA-N 0 1 396.365 3.389 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3coc(C4CCC4)n3)cc2F)CC1 ZINC000194309644 1433159153 /nfs/dbraw/zinc/15/91/53/1433159153.db2.gz DIKBAPZPCYKGFL-UHFFFAOYSA-N 0 1 386.471 3.153 20 10 GGCDMN COc1cccc(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000194880661 1433255307 /nfs/dbraw/zinc/25/53/07/1433255307.db2.gz BUHKCMGLGTXENZ-UHFFFAOYSA-N 0 1 381.520 3.257 20 10 GGCDMN COC(=O)CNC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000195071495 1433288496 /nfs/dbraw/zinc/28/84/96/1433288496.db2.gz BOGDOZMAJQWDCK-UHFFFAOYSA-N 0 1 383.231 3.214 20 10 GGCDMN CC(C)CNC(=O)NC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216483255 1433363833 /nfs/dbraw/zinc/36/38/33/1433363833.db2.gz QMWJHDMOIXFFJN-QGZVFWFLSA-N 0 1 383.492 3.437 20 10 GGCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000245565139 1433485794 /nfs/dbraw/zinc/48/57/94/1433485794.db2.gz RGKRGZJOWMEEEP-IJEWVQPXSA-N 0 1 383.330 3.228 20 10 GGCDMN COCCn1c(C)cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1C ZINC000255309519 1433879881 /nfs/dbraw/zinc/87/98/81/1433879881.db2.gz JPOUYLMNAAATRE-SFQUDFHCSA-N 0 1 393.578 3.047 20 10 GGCDMN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000264621384 1434135716 /nfs/dbraw/zinc/13/57/16/1434135716.db2.gz JMQFLGGYMYRJEJ-FKIZTMCRSA-N 0 1 385.533 3.017 20 10 GGCDMN CCOc1cccc(CN(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)c1O ZINC000271033528 1434797431 /nfs/dbraw/zinc/79/74/31/1434797431.db2.gz ZYOKGPVQLURWFH-UHFFFAOYSA-N 0 1 385.464 3.210 20 10 GGCDMN C[C@H](C(=O)c1c[nH]c2ncccc12)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000271335955 1434816974 /nfs/dbraw/zinc/81/69/74/1434816974.db2.gz WLUSTENDMBGCCW-MRXNPFEDSA-N 0 1 378.476 3.103 20 10 GGCDMN C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419808 1434823287 /nfs/dbraw/zinc/82/32/87/1434823287.db2.gz BLTLPIGPAKCBLK-UWJYYQICSA-N 0 1 397.494 3.114 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1ccc(OC(C)C)cc1)cc2=O ZINC000271739147 1434847192 /nfs/dbraw/zinc/84/71/92/1434847192.db2.gz IETCCEKOTAEOSC-AWEZNQCLSA-N 0 1 398.463 3.250 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccc(OC(C)C)cc1)cc2=O ZINC000271739148 1434847240 /nfs/dbraw/zinc/84/72/40/1434847240.db2.gz IETCCEKOTAEOSC-CQSZACIVSA-N 0 1 398.463 3.250 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1cccc(OC(C)C)c1)cc2=O ZINC000271769481 1434849184 /nfs/dbraw/zinc/84/91/84/1434849184.db2.gz NQGBDVZCDTVTKC-AWEZNQCLSA-N 0 1 398.463 3.250 20 10 GGCDMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276788530 1435232635 /nfs/dbraw/zinc/23/26/35/1435232635.db2.gz KMVWLXDZHCVQJH-UHFFFAOYSA-N 0 1 391.475 3.067 20 10 GGCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000278140218 1435363652 /nfs/dbraw/zinc/36/36/52/1435363652.db2.gz AXQRCHXEMTZETN-ZDUSSCGKSA-N 0 1 383.408 3.083 20 10 GGCDMN COc1c([O-])c(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000278434161 1435390525 /nfs/dbraw/zinc/39/05/25/1435390525.db2.gz ULBLIXFOTJPWCO-UHFFFAOYSA-N 0 1 392.839 3.446 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855040 1435431778 /nfs/dbraw/zinc/43/17/78/1435431778.db2.gz LLCIJYVAWMIKAL-HIFRSBDPSA-N 0 1 378.450 3.459 20 10 GGCDMN CN(C)c1ccc(CN2CCC(N3CCCNC3=O)CC2)c(C(F)(F)F)c1 ZINC000280234071 1435614673 /nfs/dbraw/zinc/61/46/73/1435614673.db2.gz KOBGMCCPBXNUIZ-UHFFFAOYSA-N 0 1 384.446 3.151 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1ccc(SC)cc1)cc2=O ZINC000281247419 1435800685 /nfs/dbraw/zinc/80/06/85/1435800685.db2.gz DKAKFRPJCLHOAU-LBPRGKRZSA-N 0 1 386.477 3.184 20 10 GGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410384 1441869627 /nfs/dbraw/zinc/86/96/27/1441869627.db2.gz FBPPQDRMWYVTNX-CVEARBPZSA-N 0 1 378.480 3.115 20 10 GGCDMN COc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821831500 1443897862 /nfs/dbraw/zinc/89/78/62/1443897862.db2.gz BDZDQZDUEAGDIR-HNNXBMFYSA-N 0 1 378.480 3.195 20 10 GGCDMN COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737099625 1443945306 /nfs/dbraw/zinc/94/53/06/1443945306.db2.gz ODYJGCNIQMHSQW-INIZCTEOSA-N 0 1 378.480 3.149 20 10 GGCDMN COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737099625 1443945307 /nfs/dbraw/zinc/94/53/07/1443945307.db2.gz ODYJGCNIQMHSQW-INIZCTEOSA-N 0 1 378.480 3.149 20 10 GGCDMN COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737099625 1443945311 /nfs/dbraw/zinc/94/53/11/1443945311.db2.gz ODYJGCNIQMHSQW-INIZCTEOSA-N 0 1 378.480 3.149 20 10 GGCDMN Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1O ZINC000826256497 1446532196 /nfs/dbraw/zinc/53/21/96/1446532196.db2.gz MFYVHTMALWYONK-UHFFFAOYSA-N 0 1 388.269 3.275 20 10 GGCDMN COc1cc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(O)cc1C ZINC000826179543 1447247457 /nfs/dbraw/zinc/24/74/57/1447247457.db2.gz SNWUHVZGNIQDLW-UHFFFAOYSA-N 0 1 377.448 3.179 20 10 GGCDMN Oc1ccc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000738401215 1449657547 /nfs/dbraw/zinc/65/75/47/1449657547.db2.gz QCIJSAGFMAMXCT-UHFFFAOYSA-N 0 1 375.885 3.249 20 10 GGCDMN O=C([O-])/C=C/c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000013272667 957006852 /nfs/dbraw/zinc/00/68/52/957006852.db2.gz AGPLOZLIUWCAPY-CSKARUKUSA-N 0 1 381.432 3.405 20 10 GGCDMN Cc1ccc(C[N@H+]2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001594360150 958439874 /nfs/dbraw/zinc/43/98/74/958439874.db2.gz KRVIOGDTWVOQKV-MRXNPFEDSA-N 0 1 392.496 3.234 20 10 GGCDMN Cc1ccc(C[N@H+]2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001594360149 958440227 /nfs/dbraw/zinc/44/02/27/958440227.db2.gz KRVIOGDTWVOQKV-INIZCTEOSA-N 0 1 392.496 3.234 20 10 GGCDMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC001592604852 978547576 /nfs/dbraw/zinc/54/75/76/978547576.db2.gz OWKAJCBDGUADMK-KRWDZBQOSA-N 0 1 386.467 3.385 20 10 GGCDMN Cc1c[nH+]ccc1OC1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844210025 979362669 /nfs/dbraw/zinc/36/26/69/979362669.db2.gz OYYDCFAMZAENMH-HYXAFXHYSA-N 0 1 383.404 3.444 20 10 GGCDMN O=C([O-])CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000901680788 980444400 /nfs/dbraw/zinc/44/44/00/980444400.db2.gz GHCPWSSEDGIBCS-KRWDZBQOSA-N 0 1 391.468 3.041 20 10 GGCDMN O=C([O-])C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CCOCC1 ZINC000901984502 980665293 /nfs/dbraw/zinc/66/52/93/980665293.db2.gz SMZRTPGQWWEFAY-UHFFFAOYSA-N 0 1 380.488 3.315 20 10 GGCDMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccc(N2CCN(C)CC2)cc1 ZINC001595363207 980779906 /nfs/dbraw/zinc/77/99/06/980779906.db2.gz YBSBKDIAWCIXAF-QFIPXVFZSA-N 0 1 381.520 3.476 20 10 GGCDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCN(C)CC2)cc1 ZINC001595363207 980779911 /nfs/dbraw/zinc/77/99/11/980779911.db2.gz YBSBKDIAWCIXAF-QFIPXVFZSA-N 0 1 381.520 3.476 20 10 GGCDMN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910344019 981881282 /nfs/dbraw/zinc/88/12/82/981881282.db2.gz NLWIZQXOHGIBJZ-IQBZNYMQSA-N 0 1 381.432 3.403 20 10 GGCDMN C[N@@H+](CCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000911359989 982377680 /nfs/dbraw/zinc/37/76/80/982377680.db2.gz JNAQCHQBMHROME-UHFFFAOYSA-N 0 1 382.888 3.113 20 10 GGCDMN CCOC(=O)C[N@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccc1O ZINC001596622141 984597984 /nfs/dbraw/zinc/59/79/84/984597984.db2.gz HROTWLQLPXHHJB-UHFFFAOYSA-N 0 1 383.444 3.074 20 10 GGCDMN CCOC(=O)C[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccc1O ZINC001596622141 984597987 /nfs/dbraw/zinc/59/79/87/984597987.db2.gz HROTWLQLPXHHJB-UHFFFAOYSA-N 0 1 383.444 3.074 20 10 GGCDMN CC(=O)c1cc(Cl)cc(CN2CCOc3ccccc3[C@H]2C(=O)[O-])c1[O-] ZINC001589268574 985956216 /nfs/dbraw/zinc/95/62/16/985956216.db2.gz VQJIALLJPDPVFQ-KRWDZBQOSA-N 0 1 375.808 3.269 20 10 GGCDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001590292436 989712011 /nfs/dbraw/zinc/71/20/11/989712011.db2.gz ZYQNBJIBCBMXLU-JNSHFYNHSA-N 0 1 398.887 3.236 20 10 GGCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1)C(N)=O ZINC001590654548 990347139 /nfs/dbraw/zinc/34/71/39/990347139.db2.gz PAPFDCUVMMIZMA-CQSZACIVSA-N 0 1 384.476 3.357 20 10 GGCDMN COc1cccc([C@H]([NH2+]Cc2cc(C)cc(Br)c2O)C(=O)[O-])c1 ZINC001599688365 991025413 /nfs/dbraw/zinc/02/54/13/991025413.db2.gz WXBJIQNUZKXCIS-HNNXBMFYSA-N 0 1 380.238 3.387 20 10 GGCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001599584489 993594334 /nfs/dbraw/zinc/59/43/34/993594334.db2.gz UONRJZFFKSZMFO-UHFFFAOYSA-N 0 1 397.269 3.317 20 10 GGCDMN COc1ccc(O)c(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c1 ZINC001599598667 993783584 /nfs/dbraw/zinc/78/35/84/993783584.db2.gz PJPDSFVSZUXTLL-MRXNPFEDSA-N 0 1 392.249 3.175 20 10 GGCDMN COc1ccc(O)c(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1 ZINC001599598666 993783981 /nfs/dbraw/zinc/78/39/81/993783981.db2.gz PJPDSFVSZUXTLL-INIZCTEOSA-N 0 1 392.249 3.175 20 10 GGCDMN CN1CCN(c2ccc(C[N@@H+](CCC(=O)[O-])Cc3ccccc3)cc2F)CC1 ZINC001598622594 994029165 /nfs/dbraw/zinc/02/91/65/994029165.db2.gz RWXDJCWRCGAHGB-UHFFFAOYSA-N 0 1 385.483 3.054 20 10 GGCDMN C[C@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc(C(=O)[O-])ccc1O ZINC001593366058 995046422 /nfs/dbraw/zinc/04/64/22/995046422.db2.gz PXHLFBAUDANSPX-AWEZNQCLSA-N 0 1 384.476 3.393 20 10 GGCDMN COc1cc(C)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1OC ZINC001599390984 997035714 /nfs/dbraw/zinc/03/57/14/997035714.db2.gz FQLIMRFYLPRAIG-UHFFFAOYSA-N 0 1 379.840 3.458 20 10 GGCDMN COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c(O)cc1C ZINC001599408503 997377543 /nfs/dbraw/zinc/37/75/43/997377543.db2.gz ZMKKYWVRPMMNOU-JKSUJKDBSA-N 0 1 377.387 3.288 20 10 GGCDMN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000904052902 1126132322 /nfs/dbraw/zinc/13/23/22/1126132322.db2.gz RXSGBDGYYKFNES-OAQYLSRUSA-N 0 1 378.476 3.222 20 10 GGCDMN O=C([O-])[C@H](Cc1ccccc1Br)[NH2+]Cc1cc(F)cc(F)c1O ZINC001601660587 1126224741 /nfs/dbraw/zinc/22/47/41/1126224741.db2.gz QQLYUWMWLNZYMW-AWEZNQCLSA-N 0 1 386.192 3.218 20 10 GGCDMN Cc1nn(C)c(C)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000069714865 211126269 /nfs/dbraw/zinc/12/62/69/211126269.db2.gz DIJPFMTXFKJJHS-UHFFFAOYSA-N 0 1 382.430 3.182 20 10 GGCDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1cccc(Br)c1 ZINC000072306697 564863029 /nfs/dbraw/zinc/86/30/29/564863029.db2.gz NQODYERALCOUBC-LLVKDONJSA-N 0 1 388.269 3.466 20 10 GGCDMN COc1cc(Br)cc(CN2CCC(c3nc(C)no3)CC2)c1O ZINC000091834086 564872769 /nfs/dbraw/zinc/87/27/69/564872769.db2.gz AJNGLMHGDCPZKR-UHFFFAOYSA-N 0 1 382.258 3.234 20 10 GGCDMN Oc1ccc(Br)cc1CN1CCCN(Cc2cscn2)CC1 ZINC000093015732 564883193 /nfs/dbraw/zinc/88/31/93/564883193.db2.gz OHPKKPVJWJTNGE-UHFFFAOYSA-N 0 1 382.327 3.319 20 10 GGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093133792 564883989 /nfs/dbraw/zinc/88/39/89/564883989.db2.gz RXQZUHKVURSGER-GFCCVEGCSA-N 0 1 377.286 3.072 20 10 GGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093133792 564883991 /nfs/dbraw/zinc/88/39/91/564883991.db2.gz RXQZUHKVURSGER-GFCCVEGCSA-N 0 1 377.286 3.072 20 10 GGCDMN Cc1nc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1 ZINC000158064744 565153962 /nfs/dbraw/zinc/15/39/62/565153962.db2.gz UZOIXLPRRLIRPP-HNNXBMFYSA-N 0 1 379.913 3.134 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CCCCc1cn[nH]n1 ZINC000158197207 565160309 /nfs/dbraw/zinc/16/03/09/565160309.db2.gz UGPRFNPKLZFVEX-UHFFFAOYSA-N 0 1 381.274 3.034 20 10 GGCDMN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1[O-] ZINC000184955949 565167371 /nfs/dbraw/zinc/16/73/71/565167371.db2.gz LEMBPQPHLZGJAR-LBPRGKRZSA-N 0 1 379.302 3.366 20 10 GGCDMN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1[O-] ZINC000184955973 565167919 /nfs/dbraw/zinc/16/79/19/565167919.db2.gz LEMBPQPHLZGJAR-GFCCVEGCSA-N 0 1 379.302 3.366 20 10 GGCDMN C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Br)cc1[O-] ZINC000184986537 565168850 /nfs/dbraw/zinc/16/88/50/565168850.db2.gz YJEFKWZHMDLXJI-ZDUSSCGKSA-N 0 1 392.297 3.237 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269023254 565174867 /nfs/dbraw/zinc/17/48/67/565174867.db2.gz JDMQXZWKGGGAOC-CQSZACIVSA-N 0 1 393.285 3.487 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000186041521 565236941 /nfs/dbraw/zinc/23/69/41/565236941.db2.gz FLDYNTBLCJXZJA-ZDUSSCGKSA-N 0 1 380.897 3.436 20 10 GGCDMN CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000186850097 565290177 /nfs/dbraw/zinc/29/01/77/565290177.db2.gz HOIMDASDRGTWCR-AWEZNQCLSA-N 0 1 378.332 3.410 20 10 GGCDMN COCCOc1ncccc1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000273305035 565316331 /nfs/dbraw/zinc/31/63/31/565316331.db2.gz CNYFSMYHIKLCQM-GFCCVEGCSA-N 0 1 381.270 3.426 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000273374854 565318975 /nfs/dbraw/zinc/31/89/75/565318975.db2.gz HAGXBNBWQBYHTM-NSHDSACASA-N 0 1 399.310 3.377 20 10 GGCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000273455231 565321751 /nfs/dbraw/zinc/32/17/51/565321751.db2.gz GYYVFBVQDIMLIW-WBHUJUFNSA-N 0 1 380.282 3.290 20 10 GGCDMN C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Br)cc1[O-] ZINC000273587043 565326104 /nfs/dbraw/zinc/32/61/04/565326104.db2.gz OBEUEAIQGXNQEL-AWEZNQCLSA-N 0 1 383.330 3.450 20 10 GGCDMN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000374788471 565354442 /nfs/dbraw/zinc/35/44/42/565354442.db2.gz OTSJQZAJZZEXJD-LBPRGKRZSA-N 0 1 393.285 3.216 20 10 GGCDMN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000374788471 565354447 /nfs/dbraw/zinc/35/44/47/565354447.db2.gz OTSJQZAJZZEXJD-LBPRGKRZSA-N 0 1 393.285 3.216 20 10 GGCDMN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000374788471 565354450 /nfs/dbraw/zinc/35/44/50/565354450.db2.gz OTSJQZAJZZEXJD-LBPRGKRZSA-N 0 1 393.285 3.216 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCN(c2ccccn2)C1 ZINC000376253873 565428303 /nfs/dbraw/zinc/42/83/03/565428303.db2.gz ZRADILLIEHGSGS-ZDUSSCGKSA-N 0 1 381.263 3.172 20 10 GGCDMN CN1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc2C1=O ZINC000377092087 565466599 /nfs/dbraw/zinc/46/65/99/565466599.db2.gz XCOFIVVWRQVCCM-AWEZNQCLSA-N 0 1 379.243 3.185 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cncc(Br)c1 ZINC000172188591 565472017 /nfs/dbraw/zinc/47/20/17/565472017.db2.gz HLLLRCJUOSTEQL-UHFFFAOYSA-N 0 1 376.298 3.313 20 10 GGCDMN COc1cc(Br)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000377626173 565490027 /nfs/dbraw/zinc/49/00/27/565490027.db2.gz LSLULNGTMUSLPL-CQSZACIVSA-N 0 1 398.219 3.443 20 10 GGCDMN CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277783621 565519526 /nfs/dbraw/zinc/51/95/26/565519526.db2.gz RETFRNSKDMOYTJ-CYBMUJFWSA-N 0 1 384.318 3.074 20 10 GGCDMN CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277783621 565519528 /nfs/dbraw/zinc/51/95/28/565519528.db2.gz RETFRNSKDMOYTJ-CYBMUJFWSA-N 0 1 384.318 3.074 20 10 GGCDMN CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000324375943 565617813 /nfs/dbraw/zinc/61/78/13/565617813.db2.gz MBEBKNWESCUHAH-HZPDHXFCSA-N 0 1 394.313 3.462 20 10 GGCDMN COC(=O)C[C@@](C)([NH2+]Cc1cc(Br)ccc1[O-])c1ccncc1 ZINC000191902441 565641125 /nfs/dbraw/zinc/64/11/25/565641125.db2.gz OHKXSAHTSXWKTQ-QGZVFWFLSA-N 0 1 379.254 3.118 20 10 GGCDMN COC(=O)C[C@](C)([NH2+]Cc1cc(Br)ccc1[O-])c1ccncc1 ZINC000191902449 565641760 /nfs/dbraw/zinc/64/17/60/565641760.db2.gz OHKXSAHTSXWKTQ-KRWDZBQOSA-N 0 1 379.254 3.118 20 10 GGCDMN CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000286911008 565985592 /nfs/dbraw/zinc/98/55/92/565985592.db2.gz FBEPWTSCCOQLKS-BXUZGUMPSA-N 0 1 376.316 3.020 20 10 GGCDMN Cn1cc(C[N@@H+](C)Cc2cc(Br)cc(Br)c2[O-])cn1 ZINC000179601638 565992609 /nfs/dbraw/zinc/99/26/09/565992609.db2.gz QLGLWKABMZYVOR-UHFFFAOYSA-N 0 1 389.091 3.283 20 10 GGCDMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865236 566094548 /nfs/dbraw/zinc/09/45/48/566094548.db2.gz XNUPCBHEOQDSFG-RKDXNWHRSA-N 0 1 379.092 3.120 20 10 GGCDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)C(F)(F)F ZINC000291451401 566220807 /nfs/dbraw/zinc/22/08/07/566220807.db2.gz CNEIGMOLJHCARQ-SNVBAGLBSA-N 0 1 395.219 3.045 20 10 GGCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000183370881 566245516 /nfs/dbraw/zinc/24/55/16/566245516.db2.gz PJXVKNQMOCZOPN-VIFPVBQESA-N 0 1 379.092 3.122 20 10 GGCDMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736347123 599782813 /nfs/dbraw/zinc/78/28/13/599782813.db2.gz PDOFAKNAMDPUBS-HNNXBMFYSA-N 0 1 384.476 3.228 20 10 GGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736950934 599782846 /nfs/dbraw/zinc/78/28/46/599782846.db2.gz BARLPTNVUKUCII-OAHLLOKOSA-N 0 1 384.476 3.372 20 10 GGCDMN Cc1nc(C[C@@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)no1 ZINC000738852575 599958225 /nfs/dbraw/zinc/95/82/25/599958225.db2.gz ZLLNDLIESIYFNU-AWEZNQCLSA-N 0 1 381.432 3.390 20 10 GGCDMN COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC000738004067 600142761 /nfs/dbraw/zinc/14/27/61/600142761.db2.gz ONGUZAFHIHASBX-UHFFFAOYSA-N 0 1 380.784 3.049 20 10 GGCDMN CNC(=O)c1ccc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)cc1 ZINC000737544946 600423181 /nfs/dbraw/zinc/42/31/81/600423181.db2.gz SYLGZDRXQOZPBB-UHFFFAOYSA-N 0 1 378.428 3.235 20 10 GGCDMN C[N@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000737393257 600429143 /nfs/dbraw/zinc/42/91/43/600429143.db2.gz LQUQNIMYEWOLTA-UHFFFAOYSA-N 0 1 387.524 3.012 20 10 GGCDMN C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000737393257 600429144 /nfs/dbraw/zinc/42/91/44/600429144.db2.gz LQUQNIMYEWOLTA-UHFFFAOYSA-N 0 1 387.524 3.012 20 10 GGCDMN CCO[C@@H](C)c1noc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000829908293 600713862 /nfs/dbraw/zinc/71/38/62/600713862.db2.gz VONFJJAECFVWSA-LBPRGKRZSA-N 0 1 385.420 3.356 20 10 GGCDMN CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000829908293 600713864 /nfs/dbraw/zinc/71/38/64/600713864.db2.gz VONFJJAECFVWSA-LBPRGKRZSA-N 0 1 385.420 3.356 20 10 GGCDMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830857306 600823051 /nfs/dbraw/zinc/82/30/51/600823051.db2.gz WWMVEXYZWIPSGW-LNENJAERSA-N 0 1 381.432 3.403 20 10 GGCDMN CCOC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000829990316 601379545 /nfs/dbraw/zinc/37/95/45/601379545.db2.gz UKZSXGCGTDZHJZ-QGZVFWFLSA-N 0 1 384.476 3.333 20 10 GGCDMN CCOC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000829990316 601379548 /nfs/dbraw/zinc/37/95/48/601379548.db2.gz UKZSXGCGTDZHJZ-QGZVFWFLSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)CN2CCC[N@H+](C(C)C)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859849 601594103 /nfs/dbraw/zinc/59/41/03/601594103.db2.gz STSRZRRKUPKCHI-UHFFFAOYSA-N 0 1 397.519 3.391 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859790 601594184 /nfs/dbraw/zinc/59/41/84/601594184.db2.gz XAKKRJHHPOCHNB-KRWDZBQOSA-N 0 1 396.487 3.476 20 10 GGCDMN Cc1cc(C(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859581 601596382 /nfs/dbraw/zinc/59/63/82/601596382.db2.gz UCLHMLAHRWDRBR-QRWLVFNGSA-N 0 1 397.519 3.390 20 10 GGCDMN C[C@@H](Oc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537574 604519545 /nfs/dbraw/zinc/51/95/45/604519545.db2.gz LSGOSSHBSACMGP-UZLBHIALSA-N 0 1 385.460 3.425 20 10 GGCDMN COc1cc(Br)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1O ZINC000831861357 604680680 /nfs/dbraw/zinc/68/06/80/604680680.db2.gz WXOPBPLWKBTIDC-BPNCWPANSA-N 0 1 384.270 3.381 20 10 GGCDMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000833183000 604747832 /nfs/dbraw/zinc/74/78/32/604747832.db2.gz MPOMDGKVBRKVDR-JJRVBVJISA-N 0 1 394.899 3.017 20 10 GGCDMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000833183001 604747890 /nfs/dbraw/zinc/74/78/90/604747890.db2.gz MPOMDGKVBRKVDR-VBQJREDUSA-N 0 1 394.899 3.017 20 10 GGCDMN O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000833311122 604916358 /nfs/dbraw/zinc/91/63/58/604916358.db2.gz URSWFCZNXRMDJW-CYBMUJFWSA-N 0 1 394.880 3.200 20 10 GGCDMN O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000833311122 604916362 /nfs/dbraw/zinc/91/63/62/604916362.db2.gz URSWFCZNXRMDJW-CYBMUJFWSA-N 0 1 394.880 3.200 20 10 GGCDMN COc1ccc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000833733360 605249531 /nfs/dbraw/zinc/24/95/31/605249531.db2.gz FIVQSEXMIPAPOD-MRXNPFEDSA-N 0 1 380.238 3.421 20 10 GGCDMN COc1ccc(O)c(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000833733359 605249669 /nfs/dbraw/zinc/24/96/69/605249669.db2.gz FIVQSEXMIPAPOD-INIZCTEOSA-N 0 1 380.238 3.421 20 10 GGCDMN CC[N@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(Br)ccc1O ZINC000825435002 608748561 /nfs/dbraw/zinc/74/85/61/608748561.db2.gz IXNGZCGUDHSUDL-UHFFFAOYSA-N 0 1 394.298 3.418 20 10 GGCDMN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(Br)ccc1O ZINC000825435002 608748563 /nfs/dbraw/zinc/74/85/63/608748563.db2.gz IXNGZCGUDHSUDL-UHFFFAOYSA-N 0 1 394.298 3.418 20 10 GGCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530178 609328769 /nfs/dbraw/zinc/32/87/69/609328769.db2.gz JPUTYRNDZFUGGJ-LSDHHAIUSA-N 0 1 396.470 3.254 20 10 GGCDMN COc1ccc(N2CCN(C[C@@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000054771877 1406821695 /nfs/dbraw/zinc/82/16/95/1406821695.db2.gz JXVDJQPCPDVPCQ-OAQYLSRUSA-N 0 1 384.520 3.182 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=S)NC3CCCCC3)CC2)cc1 ZINC000007027500 1398586065 /nfs/dbraw/zinc/58/60/65/1398586065.db2.gz MNKLJGLQSXDJGO-UHFFFAOYSA-N 0 1 390.597 3.004 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000007274895 1398645342 /nfs/dbraw/zinc/64/53/42/1398645342.db2.gz WJPWVDSTUKRRTC-QHCPKHFHSA-N 0 1 393.531 3.353 20 10 GGCDMN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)n[nH]2)cc1 ZINC000009975447 1398872450 /nfs/dbraw/zinc/87/24/50/1398872450.db2.gz SJTCELPUXNLCNZ-UHFFFAOYSA-N 0 1 390.487 3.494 20 10 GGCDMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193356 1398957683 /nfs/dbraw/zinc/95/76/83/1398957683.db2.gz SZBNOHBBGFDPJE-SFHVURJKSA-N 0 1 399.510 3.314 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000016134958 1399214003 /nfs/dbraw/zinc/21/40/03/1399214003.db2.gz ZHKABBGTTHDZRQ-UHFFFAOYSA-N 0 1 376.460 3.186 20 10 GGCDMN COc1ccc(N2CCN(C[C@H](O)COc3cc(C)cc(C)c3C)CC2)cc1 ZINC000026780593 1399933312 /nfs/dbraw/zinc/93/33/12/1399933312.db2.gz RCHVTEUUTRVHOH-NRFANRHFSA-N 0 1 384.520 3.182 20 10 GGCDMN COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)N2CCCC2)cc1 ZINC000043110190 1403710569 /nfs/dbraw/zinc/71/05/69/1403710569.db2.gz BDYBAGIJNIIIKS-HXUWFJFHSA-N 0 1 383.492 3.379 20 10 GGCDMN C[C@H]1CN(c2ccc(CNC(=O)Cc3[nH]nc4ccccc43)cc2F)C[C@H](C)O1 ZINC000050586624 1405608207 /nfs/dbraw/zinc/60/82/07/1405608207.db2.gz RHRFIBVHLDROBD-GJZGRUSLSA-N 0 1 396.466 3.175 20 10 GGCDMN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1C ZINC000051536786 1405828090 /nfs/dbraw/zinc/82/80/90/1405828090.db2.gz JAPUUNJKCKDTOP-UHFFFAOYSA-N 0 1 399.510 3.109 20 10 GGCDMN CC(C)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000051649217 1405844876 /nfs/dbraw/zinc/84/48/76/1405844876.db2.gz PUELGEAOYDURPV-UHFFFAOYSA-N 0 1 399.510 3.189 20 10 GGCDMN Cc1ccc([C@@H](C)N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000051907279 1405884290 /nfs/dbraw/zinc/88/42/90/1405884290.db2.gz DGFNPJVELXVJIQ-GOSISDBHSA-N 0 1 399.510 3.280 20 10 GGCDMN COc1cccc([C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N(C)C)c1 ZINC000057647843 1407676762 /nfs/dbraw/zinc/67/67/62/1407676762.db2.gz RKYAJYVHKWPAJI-FQEVSTJZSA-N 0 1 388.487 3.002 20 10 GGCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000063849027 1408427963 /nfs/dbraw/zinc/42/79/63/1408427963.db2.gz RGWYXQKOTKGLNA-UHFFFAOYSA-N 0 1 386.470 3.087 20 10 GGCDMN Cc1cc(C(=O)N[C@H](C)CN2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176535401 1428354589 /nfs/dbraw/zinc/35/45/89/1428354589.db2.gz UUHHXYFPRBPWFE-GOSISDBHSA-N 0 1 382.552 3.077 20 10 GGCDMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)n1-c1ccccn1 ZINC000068232240 1409336101 /nfs/dbraw/zinc/33/61/01/1409336101.db2.gz YWVKROXFJCIOOY-UHFFFAOYSA-N 0 1 389.503 3.493 20 10 GGCDMN CN(C)c1ccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000068411732 1409394852 /nfs/dbraw/zinc/39/48/52/1409394852.db2.gz YQTHGWQXSJMOQZ-UHFFFAOYSA-N 0 1 375.538 3.119 20 10 GGCDMN COc1ccc(N2CCC(N[C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000069163674 1409578982 /nfs/dbraw/zinc/57/89/82/1409578982.db2.gz KBWWILBIHAACFL-QFIPXVFZSA-N 0 1 397.494 3.413 20 10 GGCDMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2C1 ZINC000069932118 1409727726 /nfs/dbraw/zinc/72/77/26/1409727726.db2.gz XJTMOANDQNIJDZ-INIZCTEOSA-N 0 1 395.503 3.349 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091867613 1410088149 /nfs/dbraw/zinc/08/81/49/1410088149.db2.gz OBUUHBNEJNEQQN-UHFFFAOYSA-N 0 1 399.510 3.189 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091888524 1410089662 /nfs/dbraw/zinc/08/96/62/1410089662.db2.gz TYNZSEFUPWJXFK-UHFFFAOYSA-N 0 1 399.510 3.189 20 10 GGCDMN C[N@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472408 1410160617 /nfs/dbraw/zinc/16/06/17/1410160617.db2.gz VNGXTHXHKOIHGZ-MRXNPFEDSA-N 0 1 380.282 3.164 20 10 GGCDMN CCc1nc(CN2CCN(Cc3cccc(Br)c3O)CC2)cs1 ZINC000092504891 1410162788 /nfs/dbraw/zinc/16/27/88/1410162788.db2.gz NEIMUONRQWCXMJ-UHFFFAOYSA-N 0 1 396.354 3.491 20 10 GGCDMN O=c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000176798281 1428465553 /nfs/dbraw/zinc/46/55/53/1428465553.db2.gz IJIGQVMZVMETOW-SFHVURJKSA-N 0 1 381.428 3.385 20 10 GGCDMN O=c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000176798281 1428465560 /nfs/dbraw/zinc/46/55/60/1428465560.db2.gz IJIGQVMZVMETOW-SFHVURJKSA-N 0 1 381.428 3.385 20 10 GGCDMN COc1ccc(OC)c(CN(CCO)Cc2cc(Br)ccc2O)c1 ZINC000093361417 1410239467 /nfs/dbraw/zinc/23/94/67/1410239467.db2.gz ABDSGBJHHZHWLW-UHFFFAOYSA-N 0 1 396.281 3.166 20 10 GGCDMN O=C1CCCCN1CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000093531977 1410250133 /nfs/dbraw/zinc/25/01/33/1410250133.db2.gz PJPNUYQLEHYASB-UHFFFAOYSA-N 0 1 381.314 3.379 20 10 GGCDMN Cc1cc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000097288537 1410363327 /nfs/dbraw/zinc/36/33/27/1410363327.db2.gz FZLUULQJYTWHIN-HSZRJFAPSA-N 0 1 396.579 3.404 20 10 GGCDMN CCN(C)[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000103190467 1410836487 /nfs/dbraw/zinc/83/64/87/1410836487.db2.gz ZJOUECPIWWXWCO-QHCPKHFHSA-N 0 1 395.547 3.205 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000103508178 1410864678 /nfs/dbraw/zinc/86/46/78/1410864678.db2.gz PJBAHDOTYGCFPH-HOTGVXAUSA-N 0 1 383.492 3.208 20 10 GGCDMN COc1ccc(CNCc2cc(OC)c(OC)cc2Br)c(O)c1 ZINC000105487645 1411071854 /nfs/dbraw/zinc/07/18/54/1411071854.db2.gz IUXDZCMUJHGHEW-UHFFFAOYSA-N 0 1 382.254 3.470 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cccnc3Cl)cc2F)CC1 ZINC000106506587 1411225437 /nfs/dbraw/zinc/22/54/37/1411225437.db2.gz RTNOHQDMYGSAPK-UHFFFAOYSA-N 0 1 391.878 3.338 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C(C)=O)cc3)cc2F)CC1 ZINC000106506685 1411226791 /nfs/dbraw/zinc/22/67/91/1411226791.db2.gz YNGHFLHLFGJJDV-UHFFFAOYSA-N 0 1 398.482 3.492 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccncc3)cc2F)CC1 ZINC000106584767 1411256664 /nfs/dbraw/zinc/25/66/64/1411256664.db2.gz JOOUCJWMDFXIRP-KRWDZBQOSA-N 0 1 399.514 3.265 20 10 GGCDMN CCN(C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)C1CCCC1 ZINC000106584897 1411258284 /nfs/dbraw/zinc/25/82/84/1411258284.db2.gz LAOWWYYZHCCLDG-UHFFFAOYSA-N 0 1 376.520 3.442 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)CC3CCCC3)cc2F)CC1 ZINC000106584794 1411258793 /nfs/dbraw/zinc/25/87/93/1411258793.db2.gz IUPHKHUCAMMREY-UHFFFAOYSA-N 0 1 376.520 3.299 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CSc3ccccc3)cc2F)CC1 ZINC000106701995 1411280054 /nfs/dbraw/zinc/28/00/54/1411280054.db2.gz FQUKMDLOPLPKQR-UHFFFAOYSA-N 0 1 387.524 3.376 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(F)c3F)cc2F)CC1 ZINC000106702605 1411280819 /nfs/dbraw/zinc/28/08/19/1411280819.db2.gz PNDBCLGUUJYSID-UHFFFAOYSA-N 0 1 377.410 3.176 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc4cc[nH]c4c3)cc2F)CC1 ZINC000106702630 1411281111 /nfs/dbraw/zinc/28/11/11/1411281111.db2.gz XIWBTFKHJMFMJM-UHFFFAOYSA-N 0 1 380.467 3.379 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccccc3)cc2F)CC1 ZINC000106702638 1411281188 /nfs/dbraw/zinc/28/11/88/1411281188.db2.gz HPVZZMGPBYAYPX-QGZVFWFLSA-N 0 1 385.483 3.051 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCOCc3ccccc3)cc2F)CC1 ZINC000106702713 1411281309 /nfs/dbraw/zinc/28/13/09/1411281309.db2.gz QBZNEJVTRVQCCZ-UHFFFAOYSA-N 0 1 399.510 3.191 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@](C)(OC)c3ccccc3)cc2F)CC1 ZINC000106702292 1411281409 /nfs/dbraw/zinc/28/14/09/1411281409.db2.gz LGQUNNUJJQECHJ-QHCPKHFHSA-N 0 1 399.510 3.146 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCOc4ccccc43)cc2F)CC1 ZINC000106702689 1411281425 /nfs/dbraw/zinc/28/14/25/1411281425.db2.gz UXKGCJIVLGMRNR-LJQANCHMSA-N 0 1 397.494 3.150 20 10 GGCDMN CCN1CCN([C@H]2CCN(C(=O)c3sccc3-n3c(C)ccc3C)C2)CC1 ZINC000106805895 1411304761 /nfs/dbraw/zinc/30/47/61/1411304761.db2.gz YMZBUBYCHCAXNA-SFHVURJKSA-N 0 1 386.565 3.008 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(-c4ccco4)on3)cc2F)CC1 ZINC000106829866 1411307787 /nfs/dbraw/zinc/30/77/87/1411307787.db2.gz GUIOQAQSUJIICM-UHFFFAOYSA-N 0 1 398.438 3.146 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCc3cccc(OC)c3)cc2F)CC1 ZINC000106829802 1411307835 /nfs/dbraw/zinc/30/78/35/1411307835.db2.gz ZRJRYFHFVYVIOK-UHFFFAOYSA-N 0 1 399.510 3.225 20 10 GGCDMN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000108676811 1411567952 /nfs/dbraw/zinc/56/79/52/1411567952.db2.gz PTBVHGRVKZKMMX-CLNPQZTCSA-N 0 1 395.503 3.083 20 10 GGCDMN O=S1(=O)NC(CN(Cc2ccco2)Cc2ccccc2O)=Nc2ccccc21 ZINC000109761006 1411807968 /nfs/dbraw/zinc/80/79/68/1411807968.db2.gz PJQKBYLJGLEWEG-UHFFFAOYSA-N 0 1 397.456 3.010 20 10 GGCDMN CN(CC(=O)NCCOc1cccc(C(F)(F)F)c1)Cc1ccccc1O ZINC000111235419 1411896894 /nfs/dbraw/zinc/89/68/94/1411896894.db2.gz GJNJKVBZMPOUBG-UHFFFAOYSA-N 0 1 382.382 3.038 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(SC)o3)cc2F)CC1 ZINC000112246305 1412101123 /nfs/dbraw/zinc/10/11/23/1412101123.db2.gz AKXRTCRVIVZVSJ-UHFFFAOYSA-N 0 1 377.485 3.213 20 10 GGCDMN O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113336827 1412294127 /nfs/dbraw/zinc/29/41/27/1412294127.db2.gz RQSUSSJBVYACQA-UHFFFAOYSA-N 0 1 394.924 3.236 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc[nH]3)cc2F)CC1 ZINC000114961905 1412557387 /nfs/dbraw/zinc/55/73/87/1412557387.db2.gz TUNUTQTZEUNGGE-NRFANRHFSA-N 0 1 399.514 3.342 20 10 GGCDMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1F ZINC000177287232 1428672127 /nfs/dbraw/zinc/67/21/27/1428672127.db2.gz BZXSCADLARYRSU-UHFFFAOYSA-N 0 1 380.423 3.187 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(CC3CC3)CC3CC3)cc2F)CC1 ZINC000115824385 1412799753 /nfs/dbraw/zinc/79/97/53/1412799753.db2.gz APPIFIAMLQHXQH-UHFFFAOYSA-N 0 1 388.531 3.299 20 10 GGCDMN CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000120863567 1413930590 /nfs/dbraw/zinc/93/05/90/1413930590.db2.gz AKCROTDIKNGHDC-IBGZPJMESA-N 0 1 381.520 3.397 20 10 GGCDMN CCN(C(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000120863567 1413930592 /nfs/dbraw/zinc/93/05/92/1413930592.db2.gz AKCROTDIKNGHDC-IBGZPJMESA-N 0 1 381.520 3.397 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000121195393 1414040829 /nfs/dbraw/zinc/04/08/29/1414040829.db2.gz QJUIMTFUGADSFW-RTBURBONSA-N 0 1 388.556 3.085 20 10 GGCDMN Cc1cc(C)c(O)c(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000121559574 1414177732 /nfs/dbraw/zinc/17/77/32/1414177732.db2.gz ARIDNISZCAXLCT-UHFFFAOYSA-N 0 1 381.520 3.382 20 10 GGCDMN CCc1ccccc1NC(=O)CN1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000121624974 1414204902 /nfs/dbraw/zinc/20/49/02/1414204902.db2.gz SNLMPVBLRWRKNY-UHFFFAOYSA-N 0 1 381.520 3.328 20 10 GGCDMN COc1ccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000123492686 1414750893 /nfs/dbraw/zinc/75/08/93/1414750893.db2.gz SBZXPDZWQVRYPY-OAQYLSRUSA-N 0 1 398.503 3.040 20 10 GGCDMN COc1cccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000123495738 1414751563 /nfs/dbraw/zinc/75/15/63/1414751563.db2.gz DJLXALJQZJRBDG-NRFANRHFSA-N 0 1 398.503 3.040 20 10 GGCDMN Cc1ccccc1CN(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123534697 1414766427 /nfs/dbraw/zinc/76/64/27/1414766427.db2.gz IFOIVISGGWNUSU-NRFANRHFSA-N 0 1 382.504 3.340 20 10 GGCDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000177828947 1428866525 /nfs/dbraw/zinc/86/65/25/1428866525.db2.gz DBVJXGIHUCJOPB-UHFFFAOYSA-N 0 1 388.269 3.247 20 10 GGCDMN C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc2C1 ZINC000125135324 1415116118 /nfs/dbraw/zinc/11/61/18/1415116118.db2.gz QREMATWJKRPJCM-LJQANCHMSA-N 0 1 390.531 3.309 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(-n4ccnc4)cc3)SC2=S)CC1 ZINC000126477931 1415465267 /nfs/dbraw/zinc/46/52/67/1415465267.db2.gz ZUNSTMCVPKCDFR-ATVHPVEESA-N 0 1 384.530 3.168 20 10 GGCDMN COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccccc1O)N1CCCC1 ZINC000126763279 1415552292 /nfs/dbraw/zinc/55/22/92/1415552292.db2.gz DSEHPZSLUJZCOD-LJQANCHMSA-N 0 1 383.492 3.379 20 10 GGCDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000178189315 1429013488 /nfs/dbraw/zinc/01/34/88/1429013488.db2.gz BMECJLGYRBABJF-CYBMUJFWSA-N 0 1 382.430 3.435 20 10 GGCDMN O=C(NCc1ccco1)[C@H]1CCCN1Cc1cccc(Br)c1O ZINC000128213431 1415940857 /nfs/dbraw/zinc/94/08/57/1415940857.db2.gz BJMKXMCRSNGLJI-OAHLLOKOSA-N 0 1 379.254 3.029 20 10 GGCDMN O=C(c1cccc(F)c1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000128814066 1416076067 /nfs/dbraw/zinc/07/60/67/1416076067.db2.gz YZRGJHLOGOQPBT-UHFFFAOYSA-N 0 1 393.256 3.252 20 10 GGCDMN CCN(C)c1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000129877958 1416278396 /nfs/dbraw/zinc/27/83/96/1416278396.db2.gz XBZXWYNARWCTTP-INIZCTEOSA-N 0 1 375.538 3.244 20 10 GGCDMN CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129928322 1416286583 /nfs/dbraw/zinc/28/65/83/1416286583.db2.gz ZUQWXVPRBRGLDN-LJQANCHMSA-N 0 1 375.538 3.244 20 10 GGCDMN O=C(CC1(O)CCCCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129950962 1416289843 /nfs/dbraw/zinc/28/98/43/1416289843.db2.gz JYWJDZQTFOQPJR-KRWDZBQOSA-N 0 1 380.916 3.212 20 10 GGCDMN O=C(/C=C/c1cncc(F)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000130148086 1416327708 /nfs/dbraw/zinc/32/77/08/1416327708.db2.gz DCSNLJSQRKOSDK-PXPSOEEZSA-N 0 1 389.858 3.374 20 10 GGCDMN O=C(/C=C/c1cncc(F)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000130148086 1416327714 /nfs/dbraw/zinc/32/77/14/1416327714.db2.gz DCSNLJSQRKOSDK-PXPSOEEZSA-N 0 1 389.858 3.374 20 10 GGCDMN O=C(/C=C/c1cncc(F)c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000130148086 1416327722 /nfs/dbraw/zinc/32/77/22/1416327722.db2.gz DCSNLJSQRKOSDK-PXPSOEEZSA-N 0 1 389.858 3.374 20 10 GGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000131004445 1416494699 /nfs/dbraw/zinc/49/46/99/1416494699.db2.gz UBBQEYCMFWLCPD-CYBMUJFWSA-N 0 1 386.673 3.338 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000133646072 1416929846 /nfs/dbraw/zinc/92/98/46/1416929846.db2.gz SGNQBTMVOPYLHG-QFIPXVFZSA-N 0 1 379.504 3.151 20 10 GGCDMN Cc1ccc(N2CC[C@@H](N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000133665464 1416934122 /nfs/dbraw/zinc/93/41/22/1416934122.db2.gz DRGKCFAUPXBPPK-JOCHJYFZSA-N 0 1 379.504 3.069 20 10 GGCDMN COc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)cc1F ZINC000134171804 1417032954 /nfs/dbraw/zinc/03/29/54/1417032954.db2.gz OZCHZYABXMLCOM-UHFFFAOYSA-N 0 1 398.413 3.326 20 10 GGCDMN Cc1noc(Cl)c1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134264575 1417046601 /nfs/dbraw/zinc/04/66/01/1417046601.db2.gz JNQQRPYJRHBYMH-AWEZNQCLSA-N 0 1 398.290 3.319 20 10 GGCDMN CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C ZINC000134267091 1417047134 /nfs/dbraw/zinc/04/71/34/1417047134.db2.gz ZUBNJYFARWDQKU-INIZCTEOSA-N 0 1 390.915 3.297 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134811718 1417130311 /nfs/dbraw/zinc/13/03/11/1417130311.db2.gz LRWKRPSMQVANEH-VXKWHMMOSA-N 0 1 399.510 3.096 20 10 GGCDMN CC1CCN(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000135674674 1417257007 /nfs/dbraw/zinc/25/70/07/1417257007.db2.gz VYBTUMSGBRYDNG-UHFFFAOYSA-N 0 1 381.467 3.105 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CSC)cc2F)CC1 ZINC000151985947 1418112934 /nfs/dbraw/zinc/11/29/34/1418112934.db2.gz ZWNKTYSTDLORES-QGZVFWFLSA-N 0 1 394.560 3.005 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000152012874 1418120784 /nfs/dbraw/zinc/12/07/84/1418120784.db2.gz AEDDAPOFRWDEDB-CVEARBPZSA-N 0 1 398.507 3.382 20 10 GGCDMN Cc1cc2ncc([C@@H](C)NCc3ccc(N4CCOCC4)c(F)c3)c(C)n2n1 ZINC000179400971 1429359599 /nfs/dbraw/zinc/35/95/99/1429359599.db2.gz VSVMLQWGAFWELS-OAHLLOKOSA-N 0 1 383.471 3.173 20 10 GGCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000179605093 1429467273 /nfs/dbraw/zinc/46/72/73/1429467273.db2.gz WACMNIYSVOTGOZ-CQSZACIVSA-N 0 1 377.435 3.321 20 10 GGCDMN COc1cc(C)c([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000179623887 1429476038 /nfs/dbraw/zinc/47/60/38/1429476038.db2.gz CDBNLEXZBKDTHG-INIZCTEOSA-N 0 1 385.508 3.045 20 10 GGCDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(N2CCOCC2)cc1 ZINC000179627556 1429477439 /nfs/dbraw/zinc/47/74/39/1429477439.db2.gz MYYUPFQPNHJGQB-UHFFFAOYSA-N 0 1 397.519 3.383 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)nc3C)cc2F)CC1 ZINC000152353774 1422081427 /nfs/dbraw/zinc/08/14/27/1422081427.db2.gz ILYRHJPKYONAIA-UHFFFAOYSA-N 0 1 385.487 3.301 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)CCSC)cc2F)CC1 ZINC000152967687 1422311378 /nfs/dbraw/zinc/31/13/78/1422311378.db2.gz VPELQCQSKVXVHC-INIZCTEOSA-N 0 1 396.576 3.251 20 10 GGCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179766279 1429548936 /nfs/dbraw/zinc/54/89/36/1429548936.db2.gz SURYVFQWLVFWNF-INIZCTEOSA-N 0 1 394.519 3.068 20 10 GGCDMN C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332267 1422474501 /nfs/dbraw/zinc/47/45/01/1422474501.db2.gz ZPQGJACPYCEAPH-OAHLLOKOSA-N 0 1 389.446 3.260 20 10 GGCDMN CCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153342040 1422481041 /nfs/dbraw/zinc/48/10/41/1422481041.db2.gz QZWDBHBJLDAZTM-SFHVURJKSA-N 0 1 397.519 3.381 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)C3(CCOC)CCCC3)cc2F)CC1 ZINC000153911576 1422809337 /nfs/dbraw/zinc/80/93/37/1422809337.db2.gz XTSXKQYNIWRNOE-UHFFFAOYSA-N 0 1 391.531 3.181 20 10 GGCDMN COc1cc(O)c(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1OC ZINC000179956220 1429661542 /nfs/dbraw/zinc/66/15/42/1429661542.db2.gz HZAXBMHKPQPKSP-GOSISDBHSA-N 0 1 384.476 3.194 20 10 GGCDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000156350994 1423793221 /nfs/dbraw/zinc/79/32/21/1423793221.db2.gz RLFWINIVDALHJC-UHFFFAOYSA-N 0 1 391.427 3.412 20 10 GGCDMN C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4cc(F)ccc4O)CC3)cc2NC1=O ZINC000180063288 1429720319 /nfs/dbraw/zinc/72/03/19/1429720319.db2.gz FZVXZLSQWDPKLD-ZDUSSCGKSA-N 0 1 398.434 3.346 20 10 GGCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc3[nH]cnc32)cc1 ZINC000159247181 1424459340 /nfs/dbraw/zinc/45/93/40/1424459340.db2.gz JXGAEJJZUNVKRF-GOSISDBHSA-N 0 1 378.476 3.450 20 10 GGCDMN CCC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000180103571 1429738889 /nfs/dbraw/zinc/73/88/89/1429738889.db2.gz PZMBMNSISKIILB-OALUTQOASA-N 0 1 391.531 3.179 20 10 GGCDMN CCC[C@H]1C[C@H](C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000180103536 1429739305 /nfs/dbraw/zinc/73/93/05/1429739305.db2.gz PZMBMNSISKIILB-MOPGFXCFSA-N 0 1 391.531 3.179 20 10 GGCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NCc1ccccc1 ZINC000161215773 1424667437 /nfs/dbraw/zinc/66/74/37/1424667437.db2.gz JXFWRROCSXLKIU-IAGOWNOFSA-N 0 1 385.483 3.018 20 10 GGCDMN C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000161816969 1424770968 /nfs/dbraw/zinc/77/09/68/1424770968.db2.gz VXVOVYHANPBWLF-ROUUACIJSA-N 0 1 399.510 3.360 20 10 GGCDMN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163193092 1424956794 /nfs/dbraw/zinc/95/67/94/1424956794.db2.gz ISYWFJPXIDOLPU-SFHVURJKSA-N 0 1 392.507 3.148 20 10 GGCDMN CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435385 1424969881 /nfs/dbraw/zinc/96/98/81/1424969881.db2.gz WOCUZFMTPWYTBQ-KRWDZBQOSA-N 0 1 392.507 3.286 20 10 GGCDMN CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435385 1424969883 /nfs/dbraw/zinc/96/98/83/1424969883.db2.gz WOCUZFMTPWYTBQ-KRWDZBQOSA-N 0 1 392.507 3.286 20 10 GGCDMN CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435385 1424969888 /nfs/dbraw/zinc/96/98/88/1424969888.db2.gz WOCUZFMTPWYTBQ-KRWDZBQOSA-N 0 1 392.507 3.286 20 10 GGCDMN COc1cccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)[nH]n2)c1 ZINC000165473713 1425180679 /nfs/dbraw/zinc/18/06/79/1425180679.db2.gz XJWBDNRYNUCFMI-UHFFFAOYSA-N 0 1 378.432 3.191 20 10 GGCDMN Nc1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000168950331 1425240510 /nfs/dbraw/zinc/24/05/10/1425240510.db2.gz FHDYQSASIUGOEV-SFHVURJKSA-N 0 1 377.410 3.221 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc(C)ccc3F)CC2)cc1 ZINC000171357134 1425637589 /nfs/dbraw/zinc/63/75/89/1425637589.db2.gz QCEWRIFMSYPHPE-UHFFFAOYSA-N 0 1 385.483 3.085 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000171720482 1425802882 /nfs/dbraw/zinc/80/28/82/1425802882.db2.gz UHEUDVUBIIELSM-MRXNPFEDSA-N 0 1 398.507 3.344 20 10 GGCDMN Cc1cc(=O)n2nc(CN(C)Cc3ccc(N4CCCCC4)cc3)sc2n1 ZINC000172607732 1426111061 /nfs/dbraw/zinc/11/10/61/1426111061.db2.gz RMVDOGVEGUZYGD-UHFFFAOYSA-N 0 1 383.521 3.082 20 10 GGCDMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc(C)c1O ZINC000826158976 1426358872 /nfs/dbraw/zinc/35/88/72/1426358872.db2.gz KZXOPHSHFBPAPH-UHFFFAOYSA-N 0 1 387.871 3.183 20 10 GGCDMN Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826256636 1426396586 /nfs/dbraw/zinc/39/65/86/1426396586.db2.gz SNXIGCOHZTWCBC-UHFFFAOYSA-N 0 1 392.232 3.072 20 10 GGCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222705 1426946251 /nfs/dbraw/zinc/94/62/51/1426946251.db2.gz XLKIDUYQSMILDJ-GFCCVEGCSA-N 0 1 383.427 3.497 20 10 GGCDMN COc1ccc2[nH]cc(C3=CCN(c4[nH+]c(C)ccc4-c4nnn[n-]4)CC3)c2c1 ZINC000821845923 1426982298 /nfs/dbraw/zinc/98/22/98/1426982298.db2.gz LYYZJOSPMMJMPL-UHFFFAOYSA-N 0 1 387.447 3.354 20 10 GGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000824529162 1427126736 /nfs/dbraw/zinc/12/67/36/1427126736.db2.gz FEMODYLHIQUOSL-HUUCEWRRSA-N 0 1 396.470 3.254 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccccc3C(C)=O)cc2F)CC1 ZINC000174682317 1427307121 /nfs/dbraw/zinc/30/71/21/1427307121.db2.gz AVAWBPGKGWOPRP-UHFFFAOYSA-N 0 1 383.467 3.100 20 10 GGCDMN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(Cc2ccncc2)CC1 ZINC000175216279 1427608187 /nfs/dbraw/zinc/60/81/87/1427608187.db2.gz OJOKHGAUMFRSAL-UHFFFAOYSA-N 0 1 394.519 3.130 20 10 GGCDMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(OC)c(OC)cc1O ZINC000825318562 1427818983 /nfs/dbraw/zinc/81/89/83/1427818983.db2.gz PLDLXNMXUGGIKP-UHFFFAOYSA-N 0 1 383.452 3.002 20 10 GGCDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1ccccc1Br ZINC000175654353 1427845622 /nfs/dbraw/zinc/84/56/22/1427845622.db2.gz OXZWRRQTJWJNTN-UHFFFAOYSA-N 0 1 388.269 3.247 20 10 GGCDMN CCN(C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1)CC(F)(F)F ZINC000175810641 1427903153 /nfs/dbraw/zinc/90/31/53/1427903153.db2.gz UOWCEEOLFMPCBC-ZDUSSCGKSA-N 0 1 376.394 3.440 20 10 GGCDMN CCN(C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1)CC(F)(F)F ZINC000175810641 1427903160 /nfs/dbraw/zinc/90/31/60/1427903160.db2.gz UOWCEEOLFMPCBC-ZDUSSCGKSA-N 0 1 376.394 3.440 20 10 GGCDMN Oc1c(Br)cccc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180715542 1429996635 /nfs/dbraw/zinc/99/66/35/1429996635.db2.gz QBIYXFOTUOSWRV-AEFFLSMTSA-N 0 1 392.293 3.479 20 10 GGCDMN COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCCCC1 ZINC000180954554 1430133259 /nfs/dbraw/zinc/13/32/59/1430133259.db2.gz WLTJBDRHNNODHA-RDELFYGPSA-N 0 1 396.487 3.463 20 10 GGCDMN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177751 1430239251 /nfs/dbraw/zinc/23/92/51/1430239251.db2.gz WBPAGZYFLOKWBU-LPHOPBHVSA-N 0 1 399.514 3.396 20 10 GGCDMN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189264 1430242715 /nfs/dbraw/zinc/24/27/15/1430242715.db2.gz QLEYRYHAXUABHH-APWZRJJASA-N 0 1 399.514 3.314 20 10 GGCDMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000181356415 1430281110 /nfs/dbraw/zinc/28/11/10/1430281110.db2.gz PFYIGFYAFBFOBI-HXUWFJFHSA-N 0 1 385.427 3.417 20 10 GGCDMN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181483603 1430308276 /nfs/dbraw/zinc/30/82/76/1430308276.db2.gz HWIWKVLXWVCLAU-SFHVURJKSA-N 0 1 394.523 3.372 20 10 GGCDMN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181483619 1430308333 /nfs/dbraw/zinc/30/83/33/1430308333.db2.gz HWIWKVLXWVCLAU-GOSISDBHSA-N 0 1 394.523 3.372 20 10 GGCDMN CCOC(=O)c1nn(-c2ccccc2)cc1CNCc1cc(OC)ccc1O ZINC000182214720 1430430955 /nfs/dbraw/zinc/43/09/55/1430430955.db2.gz XKVGZSYUOIRNJZ-UHFFFAOYSA-N 0 1 381.432 3.053 20 10 GGCDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000182471168 1430473038 /nfs/dbraw/zinc/47/30/38/1430473038.db2.gz KKVIYMQVPZAGLV-LBPRGKRZSA-N 0 1 383.473 3.474 20 10 GGCDMN CCOc1cccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000184753267 1430966561 /nfs/dbraw/zinc/96/65/61/1430966561.db2.gz OFDHKWAQDWBKSE-UHFFFAOYSA-N 0 1 386.492 3.433 20 10 GGCDMN C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1[O-] ZINC000184980987 1431035539 /nfs/dbraw/zinc/03/55/39/1431035539.db2.gz KVBVBPPCWJYXSM-GOSISDBHSA-N 0 1 391.519 3.198 20 10 GGCDMN C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185974733 1431302622 /nfs/dbraw/zinc/30/26/22/1431302622.db2.gz IIYFNNWFIUYONB-HNNXBMFYSA-N 0 1 392.496 3.283 20 10 GGCDMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000186636720 1431476462 /nfs/dbraw/zinc/47/64/62/1431476462.db2.gz ATIJEYUHLJDIRS-UHFFFAOYSA-N 0 1 383.492 3.105 20 10 GGCDMN C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(F)c(F)c1O ZINC000187886265 1431824243 /nfs/dbraw/zinc/82/42/43/1431824243.db2.gz GHXSAPQTSNBILE-CYBMUJFWSA-N 0 1 391.418 3.114 20 10 GGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000188751364 1431958772 /nfs/dbraw/zinc/95/87/72/1431958772.db2.gz HLGCZSKAPJTIFR-INIZCTEOSA-N 0 1 375.538 3.073 20 10 GGCDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000192577550 1432862456 /nfs/dbraw/zinc/86/24/56/1432862456.db2.gz NGZVHLPWCAPJKC-UHFFFAOYSA-N 0 1 390.463 3.013 20 10 GGCDMN CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000192844041 1432898005 /nfs/dbraw/zinc/89/80/05/1432898005.db2.gz LBHXTJJTLFAEGQ-HNNXBMFYSA-N 0 1 376.522 3.400 20 10 GGCDMN CCCCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000192942017 1432910868 /nfs/dbraw/zinc/91/08/68/1432910868.db2.gz QSIUBSBJYICUMH-INIZCTEOSA-N 0 1 383.554 3.488 20 10 GGCDMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(O)c1O ZINC000193070064 1432931872 /nfs/dbraw/zinc/93/18/72/1432931872.db2.gz ROWGPPZVADKZQQ-AWEZNQCLSA-N 0 1 380.366 3.121 20 10 GGCDMN CC(C)CCOC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000193116602 1432938561 /nfs/dbraw/zinc/93/85/61/1432938561.db2.gz NXHQNKSUGCWMDI-UHFFFAOYSA-N 0 1 375.557 3.238 20 10 GGCDMN CCN(CC)c1ccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000194428255 1433176495 /nfs/dbraw/zinc/17/64/95/1433176495.db2.gz NHKGAOBTESKMAL-UHFFFAOYSA-N 0 1 395.551 3.392 20 10 GGCDMN Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000195571497 1433339988 /nfs/dbraw/zinc/33/99/88/1433339988.db2.gz AAXCFWNFLUBJAJ-QHCPKHFHSA-N 0 1 396.579 3.404 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C(\C)c3ccccc3)CC2)cc1 ZINC000207266796 1433354422 /nfs/dbraw/zinc/35/44/22/1433354422.db2.gz NVRQAGLPOPNBBN-FMQUCBEESA-N 0 1 393.531 3.427 20 10 GGCDMN COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc([N+](=O)[O-])c1O ZINC000208864510 1433355552 /nfs/dbraw/zinc/35/55/52/1433355552.db2.gz MXJPXLXEKFPUAT-NTUHNPAUSA-N 0 1 389.414 3.110 20 10 GGCDMN CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000247552579 1433736514 /nfs/dbraw/zinc/73/65/14/1433736514.db2.gz KMGIPAPKSRIUSU-RBBKRZOGSA-N 0 1 385.552 3.136 20 10 GGCDMN CC(C)(O)CN1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255642380 1433887222 /nfs/dbraw/zinc/88/72/22/1433887222.db2.gz MJHXAAXXRBGMIB-UHFFFAOYSA-N 0 1 395.507 3.429 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)/C=C\c3cnc(C)s3)cc2F)CC1 ZINC000255755041 1433889005 /nfs/dbraw/zinc/88/90/05/1433889005.db2.gz LJJMOKKFGUPOEO-ALCCZGGFSA-N 0 1 388.512 3.062 20 10 GGCDMN Nc1ccc(CC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1 ZINC000262638146 1433947542 /nfs/dbraw/zinc/94/75/42/1433947542.db2.gz IZFZPRWUWVGOLQ-UHFFFAOYSA-N 0 1 380.492 3.265 20 10 GGCDMN COc1cccc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1O ZINC000263713558 1434024340 /nfs/dbraw/zinc/02/43/40/1434024340.db2.gz UYUUEPLRYLABGL-UHFFFAOYSA-N 0 1 386.761 3.406 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3c(C)noc3C(C)C)cc2F)CC1 ZINC000264414975 1434109620 /nfs/dbraw/zinc/10/96/20/1434109620.db2.gz HZBBXAXGPRJCAZ-UHFFFAOYSA-N 0 1 388.487 3.317 20 10 GGCDMN COCCOc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000264476157 1434117699 /nfs/dbraw/zinc/11/76/99/1434117699.db2.gz WHMKXUYAVCJMIH-GHRIWEEISA-N 0 1 392.546 3.007 20 10 GGCDMN Cc1nnc(SCCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000266856449 1434382343 /nfs/dbraw/zinc/38/23/43/1434382343.db2.gz SXWDHTFCWRNQQN-UHFFFAOYSA-N 0 1 399.520 3.483 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000267078391 1434405913 /nfs/dbraw/zinc/40/59/13/1434405913.db2.gz QILJAQPYXFKXFP-UHFFFAOYSA-N 0 1 376.472 3.395 20 10 GGCDMN C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268752540 1434553002 /nfs/dbraw/zinc/55/30/02/1434553002.db2.gz KKQKMLFEIDWIJU-INIZCTEOSA-N 0 1 385.483 3.215 20 10 GGCDMN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000268814433 1434560436 /nfs/dbraw/zinc/56/04/36/1434560436.db2.gz JYSCESXRYHZSAF-AWEZNQCLSA-N 0 1 389.427 3.430 20 10 GGCDMN COCCCN(Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271038114 1434797902 /nfs/dbraw/zinc/79/79/02/1434797902.db2.gz MBWQENYPPGMHAG-FQEVSTJZSA-N 0 1 389.517 3.085 20 10 GGCDMN CCOc1cccc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c1O ZINC000271153481 1434805033 /nfs/dbraw/zinc/80/50/33/1434805033.db2.gz VBXPCHHJEOKAJU-UHFFFAOYSA-N 0 1 393.505 3.095 20 10 GGCDMN C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419789 1434823344 /nfs/dbraw/zinc/82/33/44/1434823344.db2.gz BLTLPIGPAKCBLK-DYESRHJHSA-N 0 1 397.494 3.114 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1cccc(OC(C)C)c1)cc2=O ZINC000271769482 1434849209 /nfs/dbraw/zinc/84/92/09/1434849209.db2.gz NQGBDVZCDTVTKC-CQSZACIVSA-N 0 1 398.463 3.250 20 10 GGCDMN COc1ccc(O)c(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000271888070 1434857302 /nfs/dbraw/zinc/85/73/02/1434857302.db2.gz DKIBRLOQHKPLLJ-UHFFFAOYSA-N 0 1 386.761 3.406 20 10 GGCDMN CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000272689149 1434922875 /nfs/dbraw/zinc/92/28/75/1434922875.db2.gz CYLPINWTCMRNIG-IEBWSBKVSA-N 0 1 391.531 3.179 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)ccc1[O-] ZINC000273380872 1434984777 /nfs/dbraw/zinc/98/47/77/1434984777.db2.gz IGCPJNXNCAWMRU-HNNXBMFYSA-N 0 1 387.911 3.284 20 10 GGCDMN COc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])ccc1OCC(=O)N(C)C ZINC000273430109 1434988267 /nfs/dbraw/zinc/98/82/67/1434988267.db2.gz VHRAQQUSGZLXEW-CYBMUJFWSA-N 0 1 392.883 3.372 20 10 GGCDMN COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000274516710 1435076186 /nfs/dbraw/zinc/07/61/86/1435076186.db2.gz XWUSTOIACONLKE-LBPRGKRZSA-N 0 1 375.396 3.137 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227666 1435371617 /nfs/dbraw/zinc/37/16/17/1435371617.db2.gz MKUPBDXEBGWYOH-JSGCOSHPSA-N 0 1 395.456 3.044 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227675 1435371646 /nfs/dbraw/zinc/37/16/46/1435371646.db2.gz MKUPBDXEBGWYOH-TZMCWYRMSA-N 0 1 395.456 3.044 20 10 GGCDMN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278249002 1435373407 /nfs/dbraw/zinc/37/34/07/1435373407.db2.gz OXKIFBKUPPVOFI-UHFFFAOYSA-N 0 1 387.436 3.033 20 10 GGCDMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278249002 1435373411 /nfs/dbraw/zinc/37/34/11/1435373411.db2.gz OXKIFBKUPPVOFI-UHFFFAOYSA-N 0 1 387.436 3.033 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855049 1435431718 /nfs/dbraw/zinc/43/17/18/1435431718.db2.gz LLCIJYVAWMIKAL-ZFWWWQNUSA-N 0 1 378.450 3.459 20 10 GGCDMN OC1CCN(c2ccc(CNCc3ccnn3-c3ccc(F)cc3)cc2F)CC1 ZINC000279947044 1435567670 /nfs/dbraw/zinc/56/76/70/1435567670.db2.gz ODRCFVJUDJJLRR-UHFFFAOYSA-N 0 1 398.457 3.401 20 10 GGCDMN CCOc1ccc(O)c(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC000280692650 1435705026 /nfs/dbraw/zinc/70/50/26/1435705026.db2.gz OTWZGEGLJISRBS-YWZLYKJASA-N 0 1 377.506 3.363 20 10 GGCDMN O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1c(F)ccc([O-])c1F ZINC000280721750 1435709232 /nfs/dbraw/zinc/70/92/32/1435709232.db2.gz HJYZWZGPGFWDPO-UHFFFAOYSA-N 0 1 387.430 3.455 20 10 GGCDMN CCOc1cccc(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280796015 1435721902 /nfs/dbraw/zinc/72/19/02/1435721902.db2.gz RPOHTXQBEUNWLR-BEFAXECRSA-N 0 1 377.506 3.363 20 10 GGCDMN CCOc1cccc(CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280796017 1435722205 /nfs/dbraw/zinc/72/22/05/1435722205.db2.gz RPOHTXQBEUNWLR-DNVCBOLYSA-N 0 1 377.506 3.363 20 10 GGCDMN COc1ccccc1-n1nccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000281362617 1435805625 /nfs/dbraw/zinc/80/56/25/1435805625.db2.gz FUEUYZGESZJAEF-UHFFFAOYSA-N 0 1 396.466 3.146 20 10 GGCDMN O=S(=O)(C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1)N1CCCC1 ZINC000282253772 1435840230 /nfs/dbraw/zinc/84/02/30/1435840230.db2.gz BJRMEQFTWGBNHM-UHFFFAOYSA-N 0 1 391.581 3.067 20 10 GGCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222707 1441557150 /nfs/dbraw/zinc/55/71/50/1441557150.db2.gz XLKIDUYQSMILDJ-LBPRGKRZSA-N 0 1 383.427 3.497 20 10 GGCDMN Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1-c1nnn[n-]1 ZINC000826312935 1441851857 /nfs/dbraw/zinc/85/18/57/1441851857.db2.gz RRRUXWORIHRWTG-OAHLLOKOSA-N 0 1 399.886 3.006 20 10 GGCDMN COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821831704 1442474653 /nfs/dbraw/zinc/47/46/53/1442474653.db2.gz JZRKWPGOHKMMDL-HNNXBMFYSA-N 0 1 378.480 3.195 20 10 GGCDMN CN(C)c1ccc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1F ZINC000736781263 1443342744 /nfs/dbraw/zinc/34/27/44/1443342744.db2.gz XCUMRSNDOMVANJ-UHFFFAOYSA-N 0 1 386.500 3.095 20 10 GGCDMN O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737865307 1443810162 /nfs/dbraw/zinc/81/01/62/1443810162.db2.gz QCJYFCHMXQNQRG-UHFFFAOYSA-N 0 1 398.492 3.017 20 10 GGCDMN COc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC000826202845 1446334203 /nfs/dbraw/zinc/33/42/03/1446334203.db2.gz PRTCKCHXCKAQTH-UHFFFAOYSA-N 0 1 394.479 3.059 20 10 GGCDMN CCOc1cccc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1O ZINC000825649099 1449087984 /nfs/dbraw/zinc/08/79/84/1449087984.db2.gz LBKZRTUGSZHJRR-UHFFFAOYSA-N 0 1 377.448 3.260 20 10 GGCDMN CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435386 1450097290 /nfs/dbraw/zinc/09/72/90/1450097290.db2.gz WOCUZFMTPWYTBQ-QGZVFWFLSA-N 0 1 392.507 3.286 20 10 GGCDMN CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435386 1450097294 /nfs/dbraw/zinc/09/72/94/1450097294.db2.gz WOCUZFMTPWYTBQ-QGZVFWFLSA-N 0 1 392.507 3.286 20 10 GGCDMN CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435386 1450097298 /nfs/dbraw/zinc/09/72/98/1450097298.db2.gz WOCUZFMTPWYTBQ-QGZVFWFLSA-N 0 1 392.507 3.286 20 10 GGCDMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1c1ccccc1 ZINC001595191232 952283220 /nfs/dbraw/zinc/28/32/20/952283220.db2.gz GRBOZHBSKNSBLS-JKSUJKDBSA-N 0 1 376.250 3.455 20 10 GGCDMN O=C([O-])/C=C\c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000844213310 979372606 /nfs/dbraw/zinc/37/26/06/979372606.db2.gz WSIPEVWFXOVIHG-HTYVVJRYSA-N 0 1 393.443 3.261 20 10 GGCDMN CN1CCN(c2ccc(C[N@H+](CCCC(=O)[O-])Cc3ccccc3)cc2)CC1 ZINC000901802465 980527301 /nfs/dbraw/zinc/52/73/01/980527301.db2.gz XGGJMTGZWXBQGN-UHFFFAOYSA-N 0 1 381.520 3.305 20 10 GGCDMN CN1CCN(c2ccc(C[N@@H+](CCCC(=O)[O-])Cc3ccccc3)cc2)CC1 ZINC000901802465 980527303 /nfs/dbraw/zinc/52/73/03/980527303.db2.gz XGGJMTGZWXBQGN-UHFFFAOYSA-N 0 1 381.520 3.305 20 10 GGCDMN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC001595756008 982452218 /nfs/dbraw/zinc/45/22/18/982452218.db2.gz OGUDPDLCBJKOKH-MRXNPFEDSA-N 0 1 384.476 3.372 20 10 GGCDMN CCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1ccccc1O ZINC001595846243 982771888 /nfs/dbraw/zinc/77/18/88/982771888.db2.gz NVSTWPDPYGTURO-UHFFFAOYSA-N 0 1 388.489 3.491 20 10 GGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1O ZINC001589267789 985949837 /nfs/dbraw/zinc/94/98/37/985949837.db2.gz IXWRPAIDPGRLDK-ZWKOTPCHSA-N 0 1 389.835 3.254 20 10 GGCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001598519329 992659270 /nfs/dbraw/zinc/65/92/70/992659270.db2.gz RTZOJOPFDXLEQA-UHFFFAOYSA-N 0 1 393.487 3.420 20 10 GGCDMN C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001598519329 992659275 /nfs/dbraw/zinc/65/92/75/992659275.db2.gz RTZOJOPFDXLEQA-UHFFFAOYSA-N 0 1 393.487 3.420 20 10 GGCDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Br)ccc1O ZINC001598523419 992687544 /nfs/dbraw/zinc/68/75/44/992687544.db2.gz FGJXQBPPVRYVAR-UHFFFAOYSA-N 0 1 380.238 3.250 20 10 GGCDMN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001591596883 992826167 /nfs/dbraw/zinc/82/61/67/992826167.db2.gz STBRFOCWAZUDOS-UHFFFAOYSA-N 0 1 381.476 3.275 20 10 GGCDMN C[C@@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc(C(=O)[O-])ccc1O ZINC001593366059 995046475 /nfs/dbraw/zinc/04/64/75/995046475.db2.gz PXHLFBAUDANSPX-CQSZACIVSA-N 0 1 384.476 3.393 20 10 GGCDMN C[C@H](Oc1ccccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-] ZINC001593645191 995971642 /nfs/dbraw/zinc/97/16/42/995971642.db2.gz QDRHNOLWWJBUFB-QFBILLFUSA-N 0 1 385.460 3.425 20 10 GGCDMN COc1cc(C[N@H+](C)Cc2ccccc2O)c(Br)cc1C(=O)[O-] ZINC001599405088 997282380 /nfs/dbraw/zinc/28/23/80/997282380.db2.gz LKMIVDGZNYKVJM-UHFFFAOYSA-N 0 1 380.238 3.494 20 10 GGCDMN COc1cc(C[N@@H+](C)Cc2ccccc2O)c(Br)cc1C(=O)[O-] ZINC001599405088 997282390 /nfs/dbraw/zinc/28/23/90/997282390.db2.gz LKMIVDGZNYKVJM-UHFFFAOYSA-N 0 1 380.238 3.494 20 10 GGCDMN COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001598929532 997719984 /nfs/dbraw/zinc/71/99/84/997719984.db2.gz ONBWMZVHDOVQDF-LJQANCHMSA-N 0 1 399.443 3.058 20 10 GGCDMN COC1CCN(c2ccc(C[N@H+]3CCOc4c(cccc4C(=O)[O-])C3)cc2)CC1 ZINC001599127669 997881862 /nfs/dbraw/zinc/88/18/62/997881862.db2.gz WJJWGVGAJGVALB-UHFFFAOYSA-N 0 1 396.487 3.395 20 10 GGCDMN COc1cc(Br)cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1O ZINC001599346144 998009653 /nfs/dbraw/zinc/00/96/53/998009653.db2.gz GFRBTQBGUQTYGZ-HNNXBMFYSA-N 0 1 380.238 3.421 20 10 GGCDMN COc1ccc(C[N@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c(O)c1OC ZINC001599561810 998211068 /nfs/dbraw/zinc/21/10/68/998211068.db2.gz OEVMPFYREVEGNM-LBPRGKRZSA-N 0 1 378.450 3.210 20 10 GGCDMN C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)C[C@H](C)O2 ZINC001594288101 999115369 /nfs/dbraw/zinc/11/53/69/999115369.db2.gz ZZFZHBITMMKUCD-GTQRCTGISA-N 0 1 385.460 3.402 20 10 GGCDMN C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)C[C@H](C)O2 ZINC001594288103 999115549 /nfs/dbraw/zinc/11/55/49/999115549.db2.gz ZZFZHBITMMKUCD-ZCCHDVMBSA-N 0 1 385.460 3.402 20 10 GGCDMN C[C@H]1CCCN(c2ccc(CNC3CC[NH+](CC(=O)[O-])CC3)cc2Cl)C1 ZINC001594388930 999472725 /nfs/dbraw/zinc/47/27/25/999472725.db2.gz KAUSJZYDZMMFMR-HNNXBMFYSA-N 0 1 379.932 3.215 20 10 GGCDMN O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001601659066 1126223903 /nfs/dbraw/zinc/22/39/03/1126223903.db2.gz MKOLZTCFRAEHQV-CQSZACIVSA-N 0 1 391.292 3.355 20 10 GGCDMN O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001601659063 1126223909 /nfs/dbraw/zinc/22/39/09/1126223909.db2.gz MKOLZTCFRAEHQV-AWEZNQCLSA-N 0 1 391.292 3.355 20 10 GGCDMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037753 564699185 /nfs/dbraw/zinc/69/91/85/564699185.db2.gz AQELRGZKUSFZKO-NTCNTBNZSA-N 0 1 399.148 3.116 20 10 GGCDMN C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037549 564699505 /nfs/dbraw/zinc/69/95/05/564699505.db2.gz AQELRGZKUSFZKO-DCXZOGHSSA-N 0 1 399.148 3.116 20 10 GGCDMN CCN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cc(Br)ccc1O ZINC000093866944 564891629 /nfs/dbraw/zinc/89/16/29/564891629.db2.gz QASSTOAEZHSCKN-UHFFFAOYSA-N 0 1 380.286 3.207 20 10 GGCDMN COc1cccc(CNCc2cc(OC)c(OC)cc2Br)c1O ZINC000105487637 564966759 /nfs/dbraw/zinc/96/67/59/564966759.db2.gz KFCZXIDBUHGYBB-UHFFFAOYSA-N 0 1 382.254 3.470 20 10 GGCDMN CS(=O)(=O)C[C@@H](NCc1cc(Br)ccc1O)c1ccccc1 ZINC000154998957 565059083 /nfs/dbraw/zinc/05/90/83/565059083.db2.gz TVZYFIVYGMNGQM-OAHLLOKOSA-N 0 1 384.295 3.030 20 10 GGCDMN CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Br)ccc1[O-] ZINC000156073918 565074863 /nfs/dbraw/zinc/07/48/63/565074863.db2.gz WLVZHEMROSYMTA-MRXNPFEDSA-N 0 1 393.281 3.260 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293021009 565146950 /nfs/dbraw/zinc/14/69/50/565146950.db2.gz QTHSVWWXBCETKD-UHFFFAOYSA-N 0 1 377.282 3.281 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)CC1 ZINC000184757789 565155426 /nfs/dbraw/zinc/15/54/26/565155426.db2.gz SMONMXAZYRGRCC-QPEQYQDCSA-N 0 1 398.351 3.140 20 10 GGCDMN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000184955402 565167985 /nfs/dbraw/zinc/16/79/85/565167985.db2.gz UPDDAFKOUMGMPR-GFCCVEGCSA-N 0 1 379.302 3.366 20 10 GGCDMN C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000296247933 565309185 /nfs/dbraw/zinc/30/91/85/565309185.db2.gz BBYZPMASOKKDAQ-DCBWTQNWSA-N 0 1 390.343 3.409 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1[O-] ZINC000273377026 565318514 /nfs/dbraw/zinc/31/85/14/565318514.db2.gz HLDLQDGYFTVAHF-ZDUSSCGKSA-N 0 1 392.297 3.237 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1[O-] ZINC000273377025 565319051 /nfs/dbraw/zinc/31/90/51/565319051.db2.gz HLDLQDGYFTVAHF-CYBMUJFWSA-N 0 1 392.297 3.237 20 10 GGCDMN COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])ccc1OCCO ZINC000273395031 565319147 /nfs/dbraw/zinc/31/91/47/565319147.db2.gz LTUZTINKGGRTOQ-GFCCVEGCSA-N 0 1 396.281 3.385 20 10 GGCDMN C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000273428968 565319622 /nfs/dbraw/zinc/31/96/22/565319622.db2.gz KTXZEVGYKVMWAY-LLVKDONJSA-N 0 1 384.841 3.078 20 10 GGCDMN COc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])ccc1OCCO ZINC000273432168 565320312 /nfs/dbraw/zinc/32/03/12/565320312.db2.gz VWMWNYXKTPOKAO-LBPRGKRZSA-N 0 1 396.281 3.385 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1[O-] ZINC000273437461 565321408 /nfs/dbraw/zinc/32/14/08/565321408.db2.gz XJXMKLJZUUTDPS-ZDUSSCGKSA-N 0 1 392.297 3.237 20 10 GGCDMN C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(Br)ccc1[O-] ZINC000273608735 565327301 /nfs/dbraw/zinc/32/73/01/565327301.db2.gz VCSZVRFVMRPCHM-AWEZNQCLSA-N 0 1 383.330 3.450 20 10 GGCDMN Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000376617501 565445338 /nfs/dbraw/zinc/44/53/38/565445338.db2.gz WKASMPVXSFBBMB-ZDUSSCGKSA-N 0 1 381.263 3.154 20 10 GGCDMN CN1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc2C1=O ZINC000377092089 565466524 /nfs/dbraw/zinc/46/65/24/565466524.db2.gz XCOFIVVWRQVCCM-CQSZACIVSA-N 0 1 379.243 3.185 20 10 GGCDMN O=C(CCc1cscn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378176617 565515015 /nfs/dbraw/zinc/51/50/15/565515015.db2.gz YZSCXBCFZUMZBB-HNNXBMFYSA-N 0 1 379.913 3.216 20 10 GGCDMN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000324375939 565618002 /nfs/dbraw/zinc/61/80/02/565618002.db2.gz MBEBKNWESCUHAH-CVEARBPZSA-N 0 1 394.313 3.462 20 10 GGCDMN CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000286911016 565986200 /nfs/dbraw/zinc/98/62/00/565986200.db2.gz FBEPWTSCCOQLKS-RISCZKNCSA-N 0 1 376.316 3.020 20 10 GGCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Br)cc1O ZINC000179660145 565997423 /nfs/dbraw/zinc/99/74/23/565997423.db2.gz OIMJCRPLHYVQTE-UHFFFAOYSA-N 0 1 377.238 3.260 20 10 GGCDMN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000363862968 566024907 /nfs/dbraw/zinc/02/49/07/566024907.db2.gz ZUCSGWJBPBIWNO-NHYWBVRUSA-N 0 1 380.286 3.072 20 10 GGCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1C ZINC000180486456 566066674 /nfs/dbraw/zinc/06/66/74/566066674.db2.gz FRXSRLMPMSVVRR-UHFFFAOYSA-N 0 1 386.470 3.005 20 10 GGCDMN C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865218 566093748 /nfs/dbraw/zinc/09/37/48/566093748.db2.gz XNUPCBHEOQDSFG-DTWKUNHWSA-N 0 1 379.092 3.120 20 10 GGCDMN Cc1cc(Br)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289786770 566140424 /nfs/dbraw/zinc/14/04/24/566140424.db2.gz RVTNLIRZZVBBSI-WCQYABFASA-N 0 1 382.220 3.456 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccoc1C1(O)CCOCC1 ZINC000366246137 566142580 /nfs/dbraw/zinc/14/25/80/566142580.db2.gz VLIJUFNBYRKWNF-UHFFFAOYSA-N 0 1 386.231 3.220 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1Cc1ccccn1 ZINC000366232027 566142858 /nfs/dbraw/zinc/14/28/58/566142858.db2.gz VMYAECQHFHPMPV-MRXNPFEDSA-N 0 1 380.275 3.375 20 10 GGCDMN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000264938865 566228510 /nfs/dbraw/zinc/22/85/10/566228510.db2.gz FDIURVZNZOJMMP-UHFFFAOYSA-N 0 1 382.913 3.163 20 10 GGCDMN Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000006510319 570462310 /nfs/dbraw/zinc/46/23/10/570462310.db2.gz WCTFTNZSDINLGN-UHFFFAOYSA-N 0 1 385.468 3.471 20 10 GGCDMN Cc1nc(C[C@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)no1 ZINC000738852576 599958357 /nfs/dbraw/zinc/95/83/57/599958357.db2.gz ZLLNDLIESIYFNU-CQSZACIVSA-N 0 1 381.432 3.390 20 10 GGCDMN O=C([O-])c1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000740160246 600148838 /nfs/dbraw/zinc/14/88/38/600148838.db2.gz HQDMKYAVDQOCBF-LJQANCHMSA-N 0 1 385.460 3.275 20 10 GGCDMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)n1 ZINC000738849696 600427113 /nfs/dbraw/zinc/42/71/13/600427113.db2.gz GAAUFGULAVHXAL-MRXNPFEDSA-N 0 1 394.475 3.364 20 10 GGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000740096587 600498642 /nfs/dbraw/zinc/49/86/42/600498642.db2.gz KEKNWBDRWWTVLY-MRXNPFEDSA-N 0 1 382.460 3.221 20 10 GGCDMN COC[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737755797 600614068 /nfs/dbraw/zinc/61/40/68/600614068.db2.gz ZXZSZILKAYTSNW-KRWDZBQOSA-N 0 1 384.476 3.333 20 10 GGCDMN COC[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737755797 600614071 /nfs/dbraw/zinc/61/40/71/600614071.db2.gz ZXZSZILKAYTSNW-KRWDZBQOSA-N 0 1 384.476 3.333 20 10 GGCDMN C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737486557 600706202 /nfs/dbraw/zinc/70/62/02/600706202.db2.gz BBAVDYAPCLVJGU-UHFFFAOYSA-N 0 1 399.468 3.279 20 10 GGCDMN C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737486557 600706203 /nfs/dbraw/zinc/70/62/03/600706203.db2.gz BBAVDYAPCLVJGU-UHFFFAOYSA-N 0 1 399.468 3.279 20 10 GGCDMN Cc1nsc(N2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)n1 ZINC000833024138 600717318 /nfs/dbraw/zinc/71/73/18/600717318.db2.gz UJTPWMXNROLDFC-UHFFFAOYSA-N 0 1 398.488 3.116 20 10 GGCDMN Cc1cc(C(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317934 600794073 /nfs/dbraw/zinc/79/40/73/600794073.db2.gz BWYSQLDHBYHJCS-SFHVURJKSA-N 0 1 397.519 3.249 20 10 GGCDMN C[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000737395620 600914390 /nfs/dbraw/zinc/91/43/90/600914390.db2.gz XSXABSBMTJRQGT-UHFFFAOYSA-N 0 1 381.476 3.446 20 10 GGCDMN C[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000737395620 600914392 /nfs/dbraw/zinc/91/43/92/600914392.db2.gz XSXABSBMTJRQGT-UHFFFAOYSA-N 0 1 381.476 3.446 20 10 GGCDMN Cc1cc(C(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859583 601596101 /nfs/dbraw/zinc/59/61/01/601596101.db2.gz UCLHMLAHRWDRBR-YWZLYKJASA-N 0 1 397.519 3.390 20 10 GGCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000832916795 601602820 /nfs/dbraw/zinc/60/28/20/601602820.db2.gz RUQFHBIXXHNIHY-GOSISDBHSA-N 0 1 398.459 3.019 20 10 GGCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000832916795 601602822 /nfs/dbraw/zinc/60/28/22/601602822.db2.gz RUQFHBIXXHNIHY-GOSISDBHSA-N 0 1 398.459 3.019 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858430 601661455 /nfs/dbraw/zinc/66/14/55/601661455.db2.gz JPIJLZYWHUXKFZ-QFIPXVFZSA-N 0 1 382.460 3.087 20 10 GGCDMN Cc1cc(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858430 601661457 /nfs/dbraw/zinc/66/14/57/601661457.db2.gz JPIJLZYWHUXKFZ-QFIPXVFZSA-N 0 1 382.460 3.087 20 10 GGCDMN C[C@H](Oc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000833536995 604523431 /nfs/dbraw/zinc/52/34/31/604523431.db2.gz FRRYWYBQAQPPRI-KRWDZBQOSA-N 0 1 384.476 3.007 20 10 GGCDMN COc1cc(Br)cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1O ZINC000831861361 604681064 /nfs/dbraw/zinc/68/10/64/604681064.db2.gz WXOPBPLWKBTIDC-HONMWMINSA-N 0 1 384.270 3.381 20 10 GGCDMN C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694299 604775528 /nfs/dbraw/zinc/77/55/28/604775528.db2.gz PIRZYHGVRCVAIJ-MRXNPFEDSA-N 0 1 394.221 3.141 20 10 GGCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000832915920 604968437 /nfs/dbraw/zinc/96/84/37/604968437.db2.gz LQHXJHAZYBVCAG-UHFFFAOYSA-N 0 1 381.476 3.362 20 10 GGCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000832915920 604968441 /nfs/dbraw/zinc/96/84/41/604968441.db2.gz LQHXJHAZYBVCAG-UHFFFAOYSA-N 0 1 381.476 3.362 20 10 GGCDMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000820432004 606996458 /nfs/dbraw/zinc/99/64/58/606996458.db2.gz JXSYHWURBMNHHR-CQSZACIVSA-N 0 1 398.898 3.208 20 10 GGCDMN CN(C)c1ccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1F ZINC000825879305 608603077 /nfs/dbraw/zinc/60/30/77/608603077.db2.gz KQJHXKDXZBLALN-UHFFFAOYSA-N 0 1 396.470 3.115 20 10 GGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826256563 609408592 /nfs/dbraw/zinc/40/85/92/609408592.db2.gz POXOHNIMQZHWPK-UHFFFAOYSA-N 0 1 388.269 3.275 20 10 GGCDMN O=C(c1cc(F)ccc1F)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000054518487 1406761378 /nfs/dbraw/zinc/76/13/78/1406761378.db2.gz SVXOWGBNJRCGIS-UHFFFAOYSA-N 0 1 375.371 3.494 20 10 GGCDMN COc1ccc(N2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000054771873 1406821591 /nfs/dbraw/zinc/82/15/91/1406821591.db2.gz YLGUVKUMANGROV-IBGZPJMESA-N 0 1 390.911 3.048 20 10 GGCDMN COc1ccc(N2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000054771874 1406821617 /nfs/dbraw/zinc/82/16/17/1406821617.db2.gz YLGUVKUMANGROV-LJQANCHMSA-N 0 1 390.911 3.048 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000007274890 1398645220 /nfs/dbraw/zinc/64/52/20/1398645220.db2.gz WJPWVDSTUKRRTC-HSZRJFAPSA-N 0 1 393.531 3.353 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000011853417 1399016080 /nfs/dbraw/zinc/01/60/80/1399016080.db2.gz XLUWICZCEHHICX-UHFFFAOYSA-N 0 1 381.520 3.254 20 10 GGCDMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571724 1399172751 /nfs/dbraw/zinc/17/27/51/1399172751.db2.gz HPKOHLRKQBULET-RTBURBONSA-N 0 1 393.531 3.321 20 10 GGCDMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571778 1399172785 /nfs/dbraw/zinc/17/27/85/1399172785.db2.gz FGXVLFRRYZLPTA-LJQANCHMSA-N 0 1 381.520 3.175 20 10 GGCDMN C[C@@H](C(=O)N1CCCc2ccccc21)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386897 1399236659 /nfs/dbraw/zinc/23/66/59/1399236659.db2.gz IAGNERABNQEHHX-IBGZPJMESA-N 0 1 393.531 3.323 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc(C)sc3C)CC2)cc1 ZINC000024088952 1399602286 /nfs/dbraw/zinc/60/22/86/1399602286.db2.gz NLWWEIFPFPNMFB-UHFFFAOYSA-N 0 1 387.549 3.316 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029826803 1400358882 /nfs/dbraw/zinc/35/88/82/1400358882.db2.gz FUXSAOHFDUGRJK-GOSISDBHSA-N 0 1 392.503 3.390 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000043047802 1403696653 /nfs/dbraw/zinc/69/66/53/1403696653.db2.gz PVBNMGYYCXOKPC-GHTZIAJQSA-N 0 1 388.556 3.085 20 10 GGCDMN CC[C@H]1CCCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000045126673 1404059091 /nfs/dbraw/zinc/05/90/91/1404059091.db2.gz FEGFQRUUVKOMOB-IBGZPJMESA-N 0 1 388.556 3.039 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133035 1405729081 /nfs/dbraw/zinc/72/90/81/1405729081.db2.gz XPYAMZRMMVWMEU-ZJSXRUAMSA-N 0 1 395.547 3.469 20 10 GGCDMN CCOCc1cc(CNCCS(=O)(=O)c2ccc(Cl)cc2)ccc1OC ZINC000051188543 1405741251 /nfs/dbraw/zinc/74/12/51/1405741251.db2.gz MHNKDXBDHDHKDN-UHFFFAOYSA-N 0 1 397.924 3.449 20 10 GGCDMN O=C(c1cccc(Cl)c1)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000057104691 1407520897 /nfs/dbraw/zinc/52/08/97/1407520897.db2.gz USYCNCLHTYGWPU-UHFFFAOYSA-N 0 1 388.851 3.122 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)CC1 ZINC000063824253 1408421371 /nfs/dbraw/zinc/42/13/71/1408421371.db2.gz RUGLPDHJOVTPAD-FLIBITNWSA-N 0 1 387.324 3.338 20 10 GGCDMN CCCN(CC(=O)Nc1ccccc1C(=O)NC(C)C)Cc1ccccc1O ZINC000068973665 1409535852 /nfs/dbraw/zinc/53/58/52/1409535852.db2.gz OBNXEUPTGOCJEK-UHFFFAOYSA-N 0 1 383.492 3.381 20 10 GGCDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069746050 1409689687 /nfs/dbraw/zinc/68/96/87/1409689687.db2.gz QQGWSNHZLGDWTG-FQEVSTJZSA-N 0 1 381.520 3.279 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000079399690 1409974402 /nfs/dbraw/zinc/97/44/02/1409974402.db2.gz GPENDVLYWDMRDI-CQSZACIVSA-N 0 1 376.472 3.204 20 10 GGCDMN COc1ccc(N2CCCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000092380673 1410148594 /nfs/dbraw/zinc/14/85/94/1410148594.db2.gz UVEFXVRTEXUYAO-UHFFFAOYSA-N 0 1 386.492 3.433 20 10 GGCDMN CCOc1ccc(O)c(CN(CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000093359103 1410237899 /nfs/dbraw/zinc/23/78/99/1410237899.db2.gz MQDKDKWSFXHEMI-UHFFFAOYSA-N 0 1 381.476 3.030 20 10 GGCDMN Oc1c(Br)cccc1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000093416558 1410244306 /nfs/dbraw/zinc/24/43/06/1410244306.db2.gz ZKTNHNPDXFQDFI-UHFFFAOYSA-N 0 1 385.199 3.173 20 10 GGCDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Br)ccc3O)C2)nc1 ZINC000093534202 1410250780 /nfs/dbraw/zinc/25/07/80/1410250780.db2.gz GOEYUVYNBXDTCU-CYBMUJFWSA-N 0 1 393.241 3.144 20 10 GGCDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(Br)c3[O-])C2)nc1 ZINC000093534485 1410251029 /nfs/dbraw/zinc/25/10/29/1410251029.db2.gz NCXKHIIVCLUICB-LBPRGKRZSA-N 0 1 393.241 3.144 20 10 GGCDMN Cc1nsc(N2CCCN(Cc3cc(Br)ccc3O)CC2)n1 ZINC000093716597 1410260969 /nfs/dbraw/zinc/26/09/69/1410260969.db2.gz WHYKVWLMULCATP-UHFFFAOYSA-N 0 1 383.315 3.027 20 10 GGCDMN Cc1nsc(N2CCC[N@@H+](Cc3cccc(Br)c3[O-])CC2)n1 ZINC000093716963 1410261629 /nfs/dbraw/zinc/26/16/29/1410261629.db2.gz MAHOTMASXNAZBT-UHFFFAOYSA-N 0 1 383.315 3.027 20 10 GGCDMN COc1cc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cc(OC)c1OC ZINC000093760463 1410264314 /nfs/dbraw/zinc/26/43/14/1410264314.db2.gz CSFGOJKRXPKTTR-UHFFFAOYSA-N 0 1 399.535 3.096 20 10 GGCDMN CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000093871511 1410277993 /nfs/dbraw/zinc/27/79/93/1410277993.db2.gz PUDYTQLHJLYLLR-UHFFFAOYSA-N 0 1 397.888 3.080 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C3CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000176827875 1428489323 /nfs/dbraw/zinc/48/93/23/1428489323.db2.gz YNINYGPMBJCMCK-UHFFFAOYSA-N 0 1 381.520 3.339 20 10 GGCDMN Cc1noc([C@@H]2CCC[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)n1 ZINC000102885252 1410803810 /nfs/dbraw/zinc/80/38/10/1410803810.db2.gz SFLXIWWROHHPOU-MRXNPFEDSA-N 0 1 393.443 3.400 20 10 GGCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000105387820 1411061386 /nfs/dbraw/zinc/06/13/86/1411061386.db2.gz UQQMIJCERHGVEC-UHFFFAOYSA-N 0 1 386.470 3.087 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC)cc3)cc2F)CC1 ZINC000106506617 1411226358 /nfs/dbraw/zinc/22/63/58/1411226358.db2.gz PWUUXFKHCCCJQU-UHFFFAOYSA-N 0 1 386.471 3.298 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccc(C)s3)cc2F)CC1 ZINC000106526187 1411232795 /nfs/dbraw/zinc/23/27/95/1411232795.db2.gz NLAJEHKROIQNRS-UHFFFAOYSA-N 0 1 390.528 3.337 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(CC(C)C)C3CC3)cc2F)CC1 ZINC000106584757 1411256719 /nfs/dbraw/zinc/25/67/19/1411256719.db2.gz CUPIYIJSHJPCSZ-UHFFFAOYSA-N 0 1 376.520 3.298 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccsc3)cc2F)CC1 ZINC000106584889 1411258462 /nfs/dbraw/zinc/25/84/62/1411258462.db2.gz CJWJXLQNJCJWJM-UHFFFAOYSA-N 0 1 390.528 3.371 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(F)ccc3F)cc2F)CC1 ZINC000106702076 1411280182 /nfs/dbraw/zinc/28/01/82/1411280182.db2.gz KELIGMGZTUDFRY-UHFFFAOYSA-N 0 1 377.410 3.176 20 10 GGCDMN CCOc1ccc(CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC000106702377 1411280785 /nfs/dbraw/zinc/28/07/85/1411280785.db2.gz JXBFPALZOVPKRF-UHFFFAOYSA-N 0 1 399.510 3.225 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)OCCC(C)C)cc2F)CC1 ZINC000106702586 1411281035 /nfs/dbraw/zinc/28/10/35/1411281035.db2.gz PJAISTOOUCGIQD-KRWDZBQOSA-N 0 1 379.520 3.035 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(COC)cc3)cc2F)CC1 ZINC000106702513 1411281471 /nfs/dbraw/zinc/28/14/71/1411281471.db2.gz IUUGZBLGCUGGML-UHFFFAOYSA-N 0 1 385.483 3.044 20 10 GGCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2sccc2C1 ZINC000109762033 1411808323 /nfs/dbraw/zinc/80/83/23/1411808323.db2.gz KCWYWJZCPPBHNQ-SFHVURJKSA-N 0 1 386.517 3.020 20 10 GGCDMN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1O ZINC000109770097 1411808965 /nfs/dbraw/zinc/80/89/65/1411808965.db2.gz VONJOWYTNLFRCH-HIGJEIRPSA-N 0 1 385.508 3.007 20 10 GGCDMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccccc1O ZINC000109772213 1411809320 /nfs/dbraw/zinc/80/93/20/1411809320.db2.gz JFUMEKBMHKAUQP-UHFFFAOYSA-N 0 1 392.503 3.002 20 10 GGCDMN C[C@@H]1CN(c2ccc(NC(=O)CN(C)Cc3ccccc3O)cc2)C[C@@H](C)O1 ZINC000109772764 1411809569 /nfs/dbraw/zinc/80/95/69/1411809569.db2.gz OQFXAVGLXNIZQX-IAGOWNOFSA-N 0 1 383.492 3.076 20 10 GGCDMN CCN(C)[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000110965749 1411879285 /nfs/dbraw/zinc/87/92/85/1411879285.db2.gz RGOXDPPWVIVKIZ-QFIPXVFZSA-N 0 1 381.520 3.427 20 10 GGCDMN CC(C)N(CC(F)(F)F)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232885 1411896618 /nfs/dbraw/zinc/89/66/18/1411896618.db2.gz HYXNKLIYCYKFHG-MRXNPFEDSA-N 0 1 388.430 3.173 20 10 GGCDMN CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1O ZINC000111235143 1411896847 /nfs/dbraw/zinc/89/68/47/1411896847.db2.gz JRBYAXPJCTUKHM-LJQANCHMSA-N 0 1 396.487 3.349 20 10 GGCDMN COc1cccc(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)c1O ZINC000111597772 1411999361 /nfs/dbraw/zinc/99/93/61/1411999361.db2.gz YBNXCTRWIIEWIH-QGZVFWFLSA-N 0 1 382.504 3.360 20 10 GGCDMN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000112914916 1412237590 /nfs/dbraw/zinc/23/75/90/1412237590.db2.gz VSMKLMRIEWKJBN-QFIPXVFZSA-N 0 1 382.552 3.096 20 10 GGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000113328868 1412293349 /nfs/dbraw/zinc/29/33/49/1412293349.db2.gz UAIJCDBGCODQGT-UHFFFAOYSA-N 0 1 376.884 3.046 20 10 GGCDMN COc1ccc(O)c(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000114589913 1412468682 /nfs/dbraw/zinc/46/86/82/1412468682.db2.gz WHDHISFYIZHVCL-UHFFFAOYSA-N 0 1 387.455 3.004 20 10 GGCDMN Cc1cc(N(C)C)ccc1CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000115490860 1412691548 /nfs/dbraw/zinc/69/15/48/1412691548.db2.gz QJQMPURGGYRPMF-UHFFFAOYSA-N 0 1 396.516 3.140 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN[C@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000118839075 1413242415 /nfs/dbraw/zinc/24/24/15/1413242415.db2.gz NLYZQBAOYMIIHV-QFIPXVFZSA-N 0 1 396.535 3.034 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccsc3)cc2F)CC1 ZINC000119847872 1413592528 /nfs/dbraw/zinc/59/25/28/1413592528.db2.gz VFNSQSVRVFOVSV-OAHLLOKOSA-N 0 1 375.513 3.449 20 10 GGCDMN C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120860705 1413929111 /nfs/dbraw/zinc/92/91/11/1413929111.db2.gz VWNJZGQQYZUYIA-IBGZPJMESA-N 0 1 385.552 3.350 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCC[C@H]1c1ccco1)cc2=O ZINC000121263258 1414063844 /nfs/dbraw/zinc/06/38/44/1414063844.db2.gz ZVAQVVJHCUBAPJ-INIZCTEOSA-N 0 1 384.436 3.322 20 10 GGCDMN O=C(NCCCSc1nccs1)NC[C@H](c1ccco1)N1CCCC1 ZINC000177549974 1428790049 /nfs/dbraw/zinc/79/00/49/1428790049.db2.gz VFJGDHXRYDIHSK-CQSZACIVSA-N 0 1 380.539 3.355 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCc3sccc3C2)c1 ZINC000122538607 1414493541 /nfs/dbraw/zinc/49/35/41/1414493541.db2.gz WELIVELTCHZGFD-UHFFFAOYSA-N 0 1 386.517 3.047 20 10 GGCDMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000122577497 1414505965 /nfs/dbraw/zinc/50/59/65/1414505965.db2.gz UOTVPYNQSXSIGH-JOCHJYFZSA-N 0 1 397.519 3.381 20 10 GGCDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000122822978 1414573975 /nfs/dbraw/zinc/57/39/75/1414573975.db2.gz DSYZVZKLGVUEPZ-SFHVURJKSA-N 0 1 398.415 3.336 20 10 GGCDMN N#Cc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000122822452 1414574019 /nfs/dbraw/zinc/57/40/19/1414574019.db2.gz DAWGKNNNHPLBJB-IBGZPJMESA-N 0 1 378.428 3.299 20 10 GGCDMN COc1ccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000123492429 1414750985 /nfs/dbraw/zinc/75/09/85/1414750985.db2.gz SBZXPDZWQVRYPY-NRFANRHFSA-N 0 1 398.503 3.040 20 10 GGCDMN CN(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123497417 1414753162 /nfs/dbraw/zinc/75/31/62/1414753162.db2.gz LZUVHHVHNKAHAF-FQEVSTJZSA-N 0 1 386.467 3.171 20 10 GGCDMN O=C(CCC[NH2+]Cc1c([O-])cccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000124144971 1414895049 /nfs/dbraw/zinc/89/50/49/1414895049.db2.gz OLRIYRVAZVVAPD-UHFFFAOYSA-N 0 1 387.911 3.264 20 10 GGCDMN CC(C)[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)CC1 ZINC000126972853 1415621857 /nfs/dbraw/zinc/62/18/57/1415621857.db2.gz XNCDNRPPQHHELY-UHFFFAOYSA-N 0 1 377.485 3.157 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000178086210 1428976107 /nfs/dbraw/zinc/97/61/07/1428976107.db2.gz ODPOOCBJCSXPTI-HXUWFJFHSA-N 0 1 381.520 3.197 20 10 GGCDMN Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000127219283 1415691369 /nfs/dbraw/zinc/69/13/69/1415691369.db2.gz OXMDSWAROFQXGV-QGZVFWFLSA-N 0 1 385.483 3.430 20 10 GGCDMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000127219283 1415691377 /nfs/dbraw/zinc/69/13/77/1415691377.db2.gz OXMDSWAROFQXGV-QGZVFWFLSA-N 0 1 385.483 3.430 20 10 GGCDMN Cc1ccccc1CCNC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127220246 1415692020 /nfs/dbraw/zinc/69/20/20/1415692020.db2.gz HXOMMEIDBHQRNT-HXUWFJFHSA-N 0 1 395.547 3.011 20 10 GGCDMN CN(C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000127245924 1415701876 /nfs/dbraw/zinc/70/18/76/1415701876.db2.gz KWKBDHGRXNKMIK-NRFANRHFSA-N 0 1 382.483 3.304 20 10 GGCDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000178189326 1429013947 /nfs/dbraw/zinc/01/39/47/1429013947.db2.gz BMECJLGYRBABJF-ZDUSSCGKSA-N 0 1 382.430 3.435 20 10 GGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000128451617 1415989733 /nfs/dbraw/zinc/98/97/33/1415989733.db2.gz MXHLMRWHLOUMDY-QGZVFWFLSA-N 0 1 393.503 3.104 20 10 GGCDMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579923 1416579202 /nfs/dbraw/zinc/57/92/02/1416579202.db2.gz NRWMQMJOWTVPFI-QGZVFWFLSA-N 0 1 394.519 3.235 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCc3ccsc3C2)c1 ZINC000132556476 1416784216 /nfs/dbraw/zinc/78/42/16/1416784216.db2.gz WHNWPAVHBKVXBP-UHFFFAOYSA-N 0 1 386.517 3.047 20 10 GGCDMN O=S(=O)(CCNCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000132562253 1416785406 /nfs/dbraw/zinc/78/54/06/1416785406.db2.gz BVLAKXLGUXXHKL-UHFFFAOYSA-N 0 1 376.497 3.380 20 10 GGCDMN CCOc1ccccc1NC(=O)CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000178670988 1429135073 /nfs/dbraw/zinc/13/50/73/1429135073.db2.gz LXPPGXRAYDSKOL-UHFFFAOYSA-N 0 1 383.492 3.245 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000133645857 1416929738 /nfs/dbraw/zinc/92/97/38/1416929738.db2.gz SGNQBTMVOPYLHG-JOCHJYFZSA-N 0 1 379.504 3.151 20 10 GGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nc1 ZINC000134264869 1417046475 /nfs/dbraw/zinc/04/64/75/1417046475.db2.gz GEKUIEPTKBZGSI-OAHLLOKOSA-N 0 1 380.275 3.488 20 10 GGCDMN O=C(CC[C@@H]1CCCCO1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262549 1417046621 /nfs/dbraw/zinc/04/66/21/1417046621.db2.gz IHZWKYTVIGDDIY-MSOLQXFVSA-N 0 1 380.916 3.476 20 10 GGCDMN Cc1noc(Cl)c1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134264561 1417046641 /nfs/dbraw/zinc/04/66/41/1417046641.db2.gz JNQQRPYJRHBYMH-CQSZACIVSA-N 0 1 398.290 3.319 20 10 GGCDMN O=C(Cc1c[nH]c2ncccc12)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134267792 1417046951 /nfs/dbraw/zinc/04/69/51/1417046951.db2.gz DNQYGSFKYQAOKJ-QGZVFWFLSA-N 0 1 398.894 3.245 20 10 GGCDMN CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C ZINC000134267071 1417047351 /nfs/dbraw/zinc/04/73/51/1417047351.db2.gz ZUBNJYFARWDQKU-MRXNPFEDSA-N 0 1 390.915 3.297 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(F)cc3C)CC2)cc1 ZINC000136946615 1417356777 /nfs/dbraw/zinc/35/67/77/1417356777.db2.gz CNSQXVQDUHQXLH-UHFFFAOYSA-N 0 1 385.483 3.085 20 10 GGCDMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000821104516 1429201058 /nfs/dbraw/zinc/20/10/58/1429201058.db2.gz HBLQJFLLKVGFST-UHFFFAOYSA-N 0 1 383.427 3.326 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)c3cccs3)CC2)cc1 ZINC000151451416 1417977194 /nfs/dbraw/zinc/97/71/94/1417977194.db2.gz LWUDJHHPOMUTGD-KRWDZBQOSA-N 0 1 387.549 3.189 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CSC)cc2F)CC1 ZINC000151986030 1418112907 /nfs/dbraw/zinc/11/29/07/1418112907.db2.gz ZWNKTYSTDLORES-KRWDZBQOSA-N 0 1 394.560 3.005 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000152010759 1418120085 /nfs/dbraw/zinc/12/00/85/1418120085.db2.gz ORZUGJQXJHCMTO-UHFFFAOYSA-N 0 1 394.450 3.325 20 10 GGCDMN Cc1cc2ncc([C@H](C)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)n2n1 ZINC000179405577 1429361783 /nfs/dbraw/zinc/36/17/83/1429361783.db2.gz DAXHZMHOJJZRTD-HNNXBMFYSA-N 0 1 397.498 3.297 20 10 GGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000179457589 1429383141 /nfs/dbraw/zinc/38/31/41/1429383141.db2.gz LTVLEWSBQALJHA-HSZRJFAPSA-N 0 1 395.547 3.299 20 10 GGCDMN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1OC ZINC000179584807 1429453053 /nfs/dbraw/zinc/45/30/53/1429453053.db2.gz JFYKCSHQNKYJBI-UHFFFAOYSA-N 0 1 386.492 3.181 20 10 GGCDMN COc1ccc(-c2noc(CN3CCN(Cc4cccc(C)c4O)CC3)n2)cc1 ZINC000179656281 1429493210 /nfs/dbraw/zinc/49/32/10/1429493210.db2.gz MDZUIEYIDMUABK-UHFFFAOYSA-N 0 1 394.475 3.077 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CNC1(c3cccc(Cl)c3)CC1)cc2=O ZINC000179670353 1429500048 /nfs/dbraw/zinc/50/00/48/1429500048.db2.gz CUDFLRPBHUCMFH-UHFFFAOYSA-N 0 1 386.839 3.044 20 10 GGCDMN COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)c1 ZINC000152945260 1422304393 /nfs/dbraw/zinc/30/43/93/1422304393.db2.gz CNDJCCZGQLKQGK-JOCHJYFZSA-N 0 1 394.519 3.174 20 10 GGCDMN Cc1cccc(NC2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000153045395 1422338141 /nfs/dbraw/zinc/33/81/41/1422338141.db2.gz QCWHBOMEYVXRGZ-UHFFFAOYSA-N 0 1 380.536 3.254 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)/C=C/c3cccc(O)c3)cc2F)CC1 ZINC000153058572 1422342702 /nfs/dbraw/zinc/34/27/02/1422342702.db2.gz LHIMMJNERFKLQA-VQHVLOKHSA-N 0 1 383.467 3.003 20 10 GGCDMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153333983 1422475988 /nfs/dbraw/zinc/47/59/88/1422475988.db2.gz LNSOENZPHNIHSM-OAHLLOKOSA-N 0 1 389.446 3.260 20 10 GGCDMN CCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153341928 1422480426 /nfs/dbraw/zinc/48/04/26/1422480426.db2.gz QZWDBHBJLDAZTM-GOSISDBHSA-N 0 1 397.519 3.381 20 10 GGCDMN Cc1ccc(CN(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)o1 ZINC000154092261 1422839313 /nfs/dbraw/zinc/83/93/13/1422839313.db2.gz YIOTUYNSNZVPPL-UHFFFAOYSA-N 0 1 397.519 3.048 20 10 GGCDMN COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1OCC(N)=O ZINC000154715608 1423009510 /nfs/dbraw/zinc/00/95/10/1423009510.db2.gz UJIWVDUXWOJJDZ-UHFFFAOYSA-N 0 1 396.443 3.060 20 10 GGCDMN COc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1OCC(N)=O ZINC000154715608 1423009520 /nfs/dbraw/zinc/00/95/20/1423009520.db2.gz UJIWVDUXWOJJDZ-UHFFFAOYSA-N 0 1 396.443 3.060 20 10 GGCDMN COc1ccc([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000155187413 1423227131 /nfs/dbraw/zinc/22/71/31/1423227131.db2.gz BFUMKXAKIMSLAP-HXUWFJFHSA-N 0 1 381.520 3.209 20 10 GGCDMN COc1ccc([C@@H]2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000155187413 1423227147 /nfs/dbraw/zinc/22/71/47/1423227147.db2.gz BFUMKXAKIMSLAP-HXUWFJFHSA-N 0 1 381.520 3.209 20 10 GGCDMN C[C@@H](SCCN(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000157707554 1424070549 /nfs/dbraw/zinc/07/05/49/1424070549.db2.gz ZAPQUIXIXLIBBI-CYBMUJFWSA-N 0 1 382.485 3.084 20 10 GGCDMN O=S(=O)(NC1CCN(Cc2cc(Cl)ccc2O)CC1)c1ccc(F)cc1 ZINC000180021814 1429698119 /nfs/dbraw/zinc/69/81/19/1429698119.db2.gz HVJVSZKELSIVFS-UHFFFAOYSA-N 0 1 398.887 3.128 20 10 GGCDMN CCOc1ccccc1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000158175934 1424186849 /nfs/dbraw/zinc/18/68/49/1424186849.db2.gz KIYUGUKBXVBWFW-UHFFFAOYSA-N 0 1 381.520 3.244 20 10 GGCDMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000826168354 1424267361 /nfs/dbraw/zinc/26/73/61/1424267361.db2.gz KOOLVGJZTROTSN-UHFFFAOYSA-N 0 1 380.496 3.352 20 10 GGCDMN CCCN(Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)Cc1ccccc1O ZINC000161327598 1424678003 /nfs/dbraw/zinc/67/80/03/1424678003.db2.gz DUFOSFDGNLSIDQ-UHFFFAOYSA-N 0 1 398.463 3.408 20 10 GGCDMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000161816703 1424771518 /nfs/dbraw/zinc/77/15/18/1424771518.db2.gz VXVOVYHANPBWLF-ZWKOTPCHSA-N 0 1 399.510 3.360 20 10 GGCDMN C[C@@H](CNC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000161845639 1424778063 /nfs/dbraw/zinc/77/80/63/1424778063.db2.gz MTLXEKXAHYRKOB-PMACEKPBSA-N 0 1 395.547 3.263 20 10 GGCDMN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163193210 1424957114 /nfs/dbraw/zinc/95/71/14/1424957114.db2.gz ISYWFJPXIDOLPU-GOSISDBHSA-N 0 1 392.507 3.148 20 10 GGCDMN CN1CCC[C@H]2C[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610625 1425128741 /nfs/dbraw/zinc/12/87/41/1425128741.db2.gz KZBHTNSXANZFDV-PXNSSMCTSA-N 0 1 380.488 3.245 20 10 GGCDMN Nc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000168950256 1425241004 /nfs/dbraw/zinc/24/10/04/1425241004.db2.gz FHDYQSASIUGOEV-GOSISDBHSA-N 0 1 377.410 3.221 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3OC)cc2F)CC1 ZINC000171687159 1425789230 /nfs/dbraw/zinc/78/92/30/1425789230.db2.gz SFENCFFBXKMONN-UHFFFAOYSA-N 0 1 386.471 3.298 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCn4cccc4[C@H]3C)cc2F)CC1 ZINC000171751380 1425811082 /nfs/dbraw/zinc/81/10/82/1425811082.db2.gz CUVBHVQKFFGNMF-QGZVFWFLSA-N 0 1 399.514 3.056 20 10 GGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413536 1426109022 /nfs/dbraw/zinc/10/90/22/1426109022.db2.gz RNKNXUUMMWGVBW-JKSUJKDBSA-N 0 1 378.480 3.115 20 10 GGCDMN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000172689825 1426144445 /nfs/dbraw/zinc/14/44/45/1426144445.db2.gz OPVCVIJPYUAJBR-FQEVSTJZSA-N 0 1 380.492 3.292 20 10 GGCDMN CCc1nsc(N2CCN(Cc3c(O)ccc4ccc(OC)cc43)CC2)n1 ZINC000173473171 1426647517 /nfs/dbraw/zinc/64/75/17/1426647517.db2.gz ANWMBISFSHRJHQ-UHFFFAOYSA-N 0 1 384.505 3.290 20 10 GGCDMN Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826511265 1426887488 /nfs/dbraw/zinc/88/74/88/1426887488.db2.gz IUFLDMZDDXUWME-OAQYLSRUSA-N 0 1 387.443 3.299 20 10 GGCDMN NC(=O)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282733 1427084331 /nfs/dbraw/zinc/08/43/31/1427084331.db2.gz NSPFQYLLVGKCBA-QAPCUYQASA-N 0 1 393.409 3.212 20 10 GGCDMN NC(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282770 1427084532 /nfs/dbraw/zinc/08/45/32/1427084532.db2.gz NSPFQYLLVGKCBA-MAUKXSAKSA-N 0 1 393.409 3.212 20 10 GGCDMN CC[C@@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccncc1 ZINC000174786345 1427366865 /nfs/dbraw/zinc/36/68/65/1427366865.db2.gz HGWKNQPAWRNTBH-HXUWFJFHSA-N 0 1 399.514 3.313 20 10 GGCDMN CC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccncc1 ZINC000174786336 1427367122 /nfs/dbraw/zinc/36/71/22/1427367122.db2.gz HGWKNQPAWRNTBH-FQEVSTJZSA-N 0 1 399.514 3.313 20 10 GGCDMN Cc1ccc2nc(CNC(=O)C=Cc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000174866466 1427418122 /nfs/dbraw/zinc/41/81/22/1427418122.db2.gz REWVHGYIONOETE-WEVVVXLNSA-N 0 1 376.460 3.038 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3c(C)cccc3C)CC2)cc1 ZINC000175080061 1427536053 /nfs/dbraw/zinc/53/60/53/1427536053.db2.gz XFGIBERRVMMULJ-UHFFFAOYSA-N 0 1 381.520 3.254 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)cc3F)CC2)cc1 ZINC000175402196 1427733687 /nfs/dbraw/zinc/73/36/87/1427733687.db2.gz RFYVNKLYDMSFSG-UHFFFAOYSA-N 0 1 385.483 3.085 20 10 GGCDMN CN(CCNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccc(F)cc1 ZINC000175801175 1427897949 /nfs/dbraw/zinc/89/79/49/1427897949.db2.gz JTKGUIWUVGKHHB-UHFFFAOYSA-N 0 1 382.483 3.133 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1O ZINC000175811797 1427904784 /nfs/dbraw/zinc/90/47/84/1427904784.db2.gz YDGFQPPHSMGMMW-INIZCTEOSA-N 0 1 384.451 3.376 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc4[nH]ccc43)cc2F)CC1 ZINC000176250890 1428195280 /nfs/dbraw/zinc/19/52/80/1428195280.db2.gz HRZCOMFCMUGLJC-UHFFFAOYSA-N 0 1 380.467 3.379 20 10 GGCDMN CCOc1cccc([C@@H](C)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000180681882 1429973603 /nfs/dbraw/zinc/97/36/03/1429973603.db2.gz QGVLLHWVFJBOOL-GOSISDBHSA-N 0 1 397.519 3.093 20 10 GGCDMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000826182127 1430059425 /nfs/dbraw/zinc/05/94/25/1430059425.db2.gz ANNUVAAUCIAKLQ-UHFFFAOYSA-N 0 1 378.480 3.106 20 10 GGCDMN Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145094 1430225803 /nfs/dbraw/zinc/22/58/03/1430225803.db2.gz QRAZERDNBZBGNY-UWJYYQICSA-N 0 1 397.494 3.427 20 10 GGCDMN Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145145 1430225816 /nfs/dbraw/zinc/22/58/16/1430225816.db2.gz QRAZERDNBZBGNY-DYESRHJHSA-N 0 1 397.494 3.427 20 10 GGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1[O-] ZINC000182149910 1430420435 /nfs/dbraw/zinc/42/04/35/1430420435.db2.gz UMDSVCPPVHMUKN-FQEVSTJZSA-N 0 1 388.895 3.411 20 10 GGCDMN C[C@@H](c1ccccc1)N(CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000182300866 1430445085 /nfs/dbraw/zinc/44/50/85/1430445085.db2.gz KBCZMRLNCZZTNJ-KRWDZBQOSA-N 0 1 398.503 3.413 20 10 GGCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCN(c2cnccn2)CC1 ZINC000182995262 1430588105 /nfs/dbraw/zinc/58/81/05/1430588105.db2.gz YZUXVADMPFRDNF-UHFFFAOYSA-N 0 1 376.460 3.083 20 10 GGCDMN CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n[nH]1 ZINC000183280789 1430668542 /nfs/dbraw/zinc/66/85/42/1430668542.db2.gz GXBOAIBXKCYZTO-UHFFFAOYSA-N 0 1 377.404 3.118 20 10 GGCDMN Cc1c(-c2cc(CN(Cc3ccccc3O)C[C@H]3CCCO3)on2)cnn1C ZINC000184653800 1430930946 /nfs/dbraw/zinc/93/09/46/1430930946.db2.gz OQVZXWZEMNTAFU-QGZVFWFLSA-N 0 1 382.464 3.270 20 10 GGCDMN COCc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000184752228 1430966076 /nfs/dbraw/zinc/96/60/76/1430966076.db2.gz MTYMSXPBLXKJMB-UHFFFAOYSA-N 0 1 386.492 3.181 20 10 GGCDMN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3cccc4cnccc43)c2)CC1 ZINC000185158776 1431074316 /nfs/dbraw/zinc/07/43/16/1431074316.db2.gz NZKGSSLESQJNDI-UHFFFAOYSA-N 0 1 396.516 3.178 20 10 GGCDMN C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1[O-] ZINC000186158871 1431344006 /nfs/dbraw/zinc/34/40/06/1431344006.db2.gz YCORCPVASUSHOM-UKRRQHHQSA-N 0 1 391.514 3.092 20 10 GGCDMN C[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(F)c(F)c1O ZINC000187840628 1431818897 /nfs/dbraw/zinc/81/88/97/1431818897.db2.gz WSACQPYMGOBVTN-CYBMUJFWSA-N 0 1 376.403 3.245 20 10 GGCDMN C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(F)c(F)c1O ZINC000187886235 1431824042 /nfs/dbraw/zinc/82/40/42/1431824042.db2.gz GHXSAPQTSNBILE-ZDUSSCGKSA-N 0 1 391.418 3.114 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc2ccccc2c1[O-] ZINC000189179185 1432058788 /nfs/dbraw/zinc/05/87/88/1432058788.db2.gz ONLZAKZKMPGSNW-OAHLLOKOSA-N 0 1 385.485 3.162 20 10 GGCDMN O=C(c1cccc(NCc2cc(Cl)cc(Cl)c2O)n1)N1CCC[C@@H]1CO ZINC000190076855 1432315146 /nfs/dbraw/zinc/31/51/46/1432315146.db2.gz HHJGYIGFZDVVJB-CYBMUJFWSA-N 0 1 396.274 3.303 20 10 GGCDMN CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000192844057 1432898120 /nfs/dbraw/zinc/89/81/20/1432898120.db2.gz LBHXTJJTLFAEGQ-OAHLLOKOSA-N 0 1 376.522 3.400 20 10 GGCDMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(O)c1O ZINC000193070050 1432931793 /nfs/dbraw/zinc/93/17/93/1432931793.db2.gz ROWGPPZVADKZQQ-CQSZACIVSA-N 0 1 380.366 3.121 20 10 GGCDMN O=C1N[C@H](c2cc(Cl)cc(Cl)c2O)Nc2ccc(N3CCOCC3)cc21 ZINC000193505555 1433010894 /nfs/dbraw/zinc/01/08/94/1433010894.db2.gz VVKQOBDOKVIGEH-QGZVFWFLSA-N 0 1 394.258 3.390 20 10 GGCDMN COc1cc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccc1C ZINC000194676883 1433214375 /nfs/dbraw/zinc/21/43/75/1433214375.db2.gz WCQTXMPRRSPJCN-UHFFFAOYSA-N 0 1 386.492 3.352 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C\c3cnn(-c4ccccc4)c3)SC2=S)CC1 ZINC000194754235 1433225131 /nfs/dbraw/zinc/22/51/31/1433225131.db2.gz IJNDKCCXVLNSIK-GZTJUZNOSA-N 0 1 384.530 3.168 20 10 GGCDMN Cc1cc(C)c(O)c(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000216475695 1433363820 /nfs/dbraw/zinc/36/38/20/1433363820.db2.gz ONKQATFOPXEQJZ-UHFFFAOYSA-N 0 1 381.520 3.382 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000216690737 1433363999 /nfs/dbraw/zinc/36/39/99/1433363999.db2.gz BIQIRIQQDYNYST-KRWDZBQOSA-N 0 1 393.487 3.441 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C\c3ccccc3F)CC2)cc1 ZINC000216751257 1433364113 /nfs/dbraw/zinc/36/41/13/1433364113.db2.gz PWLVHYXAWPAPPW-GHXNOFRVSA-N 0 1 397.494 3.176 20 10 GGCDMN CCOc1ccc(O)c(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000237054582 1433387440 /nfs/dbraw/zinc/38/74/40/1433387440.db2.gz WJFJSIFBWNJHJD-UHFFFAOYSA-N 0 1 392.521 3.158 20 10 GGCDMN Nc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1 ZINC000262652602 1433947981 /nfs/dbraw/zinc/94/79/81/1433947981.db2.gz AWGIURCGTQPNQT-UHFFFAOYSA-N 0 1 380.492 3.265 20 10 GGCDMN C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268752541 1434553094 /nfs/dbraw/zinc/55/30/94/1434553094.db2.gz KKQKMLFEIDWIJU-MRXNPFEDSA-N 0 1 385.483 3.215 20 10 GGCDMN COCCCN(Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271038118 1434797832 /nfs/dbraw/zinc/79/78/32/1434797832.db2.gz MBWQENYPPGMHAG-HXUWFJFHSA-N 0 1 389.517 3.085 20 10 GGCDMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000271335949 1434816946 /nfs/dbraw/zinc/81/69/46/1434816946.db2.gz WLUSTENDMBGCCW-INIZCTEOSA-N 0 1 378.476 3.103 20 10 GGCDMN C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419793 1434823303 /nfs/dbraw/zinc/82/33/03/1434823303.db2.gz BLTLPIGPAKCBLK-LAUBAEHRSA-N 0 1 397.494 3.114 20 10 GGCDMN COc1cc(O)c(CNCc2nn(-c3ccccc3)c3c2CCC3)cc1OC ZINC000272070508 1434870231 /nfs/dbraw/zinc/87/02/31/1434870231.db2.gz JNIHEVISRUWRPG-UHFFFAOYSA-N 0 1 379.460 3.374 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)ccc1[O-] ZINC000273380873 1434984741 /nfs/dbraw/zinc/98/47/41/1434984741.db2.gz IGCPJNXNCAWMRU-OAHLLOKOSA-N 0 1 387.911 3.284 20 10 GGCDMN CCn1nc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c2ccccc21 ZINC000274410089 1435068880 /nfs/dbraw/zinc/06/88/80/1435068880.db2.gz GQABNIJTKOLKLU-SFQUDFHCSA-N 0 1 386.546 3.352 20 10 GGCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCCc2cn[nH]n2)cc1 ZINC000274424827 1435070007 /nfs/dbraw/zinc/07/00/07/1435070007.db2.gz ZEDHVMWSUKGQCF-UHFFFAOYSA-N 0 1 381.480 3.406 20 10 GGCDMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000274856544 1435098271 /nfs/dbraw/zinc/09/82/71/1435098271.db2.gz YWSKSVWAAJSZGI-UHFFFAOYSA-N 0 1 378.450 3.085 20 10 GGCDMN CN(C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1cccs1 ZINC000277279237 1435288906 /nfs/dbraw/zinc/28/89/06/1435288906.db2.gz ISMVMFLTJMPLTP-CQSZACIVSA-N 0 1 393.896 3.174 20 10 GGCDMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)ccc1C ZINC000277640293 1435318570 /nfs/dbraw/zinc/31/85/70/1435318570.db2.gz KXGVLNRZBATOOD-UHFFFAOYSA-N 0 1 378.450 3.247 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227662 1435371598 /nfs/dbraw/zinc/37/15/98/1435371598.db2.gz MKUPBDXEBGWYOH-GXTWGEPZSA-N 0 1 395.456 3.044 20 10 GGCDMN Oc1c(Cl)cc(Cl)cc1CNc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000278531610 1435397685 /nfs/dbraw/zinc/39/76/85/1435397685.db2.gz VCSDCBVYZOFYOK-UHFFFAOYSA-N 0 1 393.278 3.484 20 10 GGCDMN CN(C)c1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)c(C(F)(F)F)c1 ZINC000280097000 1435592183 /nfs/dbraw/zinc/59/21/83/1435592183.db2.gz BEPZRTCOGLMJDE-SFHVURJKSA-N 0 1 396.457 3.451 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccccc1SC)cc2=O ZINC000282069592 1435833315 /nfs/dbraw/zinc/83/33/15/1435833315.db2.gz NEAGRESHJHAUDD-GFCCVEGCSA-N 0 1 386.477 3.184 20 10 GGCDMN C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000284766373 1436047996 /nfs/dbraw/zinc/04/79/96/1436047996.db2.gz HHJBJDVNCLCGSA-BXJCWQANSA-N 0 1 388.899 3.324 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824616895 1441973325 /nfs/dbraw/zinc/97/33/25/1441973325.db2.gz ANVRJLQMZRCMII-HNNXBMFYSA-N 0 1 380.521 3.271 20 10 GGCDMN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820413235 1446923696 /nfs/dbraw/zinc/92/36/96/1446923696.db2.gz PGSXJNTUBXVXTQ-LSDHHAIUSA-N 0 1 396.470 3.254 20 10 GGCDMN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000824293564 1447231786 /nfs/dbraw/zinc/23/17/86/1447231786.db2.gz RSZXCNSIDJQIFW-UHFFFAOYSA-N 0 1 392.507 3.114 20 10 GGCDMN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000824293564 1447231793 /nfs/dbraw/zinc/23/17/93/1447231793.db2.gz RSZXCNSIDJQIFW-UHFFFAOYSA-N 0 1 392.507 3.114 20 10 GGCDMN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000824293564 1447231797 /nfs/dbraw/zinc/23/17/97/1447231797.db2.gz RSZXCNSIDJQIFW-UHFFFAOYSA-N 0 1 392.507 3.114 20 10 GGCDMN O=C(C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001574527254 961889261 /nfs/dbraw/zinc/88/92/61/961889261.db2.gz PLAALHUUARKLFX-BTYIYWSLSA-N 0 1 394.431 3.074 20 10 GGCDMN O=C([O-])[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892875 972696458 /nfs/dbraw/zinc/69/64/58/972696458.db2.gz JQEGIZQGNKZUEH-WMZOPIPTSA-N 0 1 394.899 3.017 20 10 GGCDMN CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC000736272107 978316039 /nfs/dbraw/zinc/31/60/39/978316039.db2.gz CHLFZKAWCPPFCW-ZDUSSCGKSA-N 0 1 398.887 3.189 20 10 GGCDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000846261930 979431499 /nfs/dbraw/zinc/43/14/99/979431499.db2.gz SPAZBQQKMACOMR-LJQANCHMSA-N 0 1 384.476 3.344 20 10 GGCDMN O=C([O-])CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000901680789 980444311 /nfs/dbraw/zinc/44/43/11/980444311.db2.gz GHCPWSSEDGIBCS-QGZVFWFLSA-N 0 1 391.468 3.041 20 10 GGCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000902031064 980701354 /nfs/dbraw/zinc/70/13/54/980701354.db2.gz HEZAZCKEPLTUEH-IRLDBZIGSA-N 0 1 380.488 3.313 20 10 GGCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000902031062 980701456 /nfs/dbraw/zinc/70/14/56/980701456.db2.gz HEZAZCKEPLTUEH-IFMALSPDSA-N 0 1 380.488 3.313 20 10 GGCDMN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368959 982387050 /nfs/dbraw/zinc/38/70/50/982387050.db2.gz IOAXXPONZSGEBO-YESZJQIVSA-N 0 1 394.899 3.017 20 10 GGCDMN CCN(C)c1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC001596194918 983578200 /nfs/dbraw/zinc/57/82/00/983578200.db2.gz XNEQFWDHPLKIET-GOSISDBHSA-N 0 1 391.512 3.039 20 10 GGCDMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CC12CC(C(=O)[O-])C2 ZINC001589867601 988490456 /nfs/dbraw/zinc/49/04/56/988490456.db2.gz YNPFVVRAEAYONG-LXDLAPCHSA-N 0 1 395.883 3.300 20 10 GGCDMN CN(C)c1ccc([C@H](CNCc2cc(C(=O)[O-])ccc2Cl)[NH+](C)C)cc1 ZINC001598313651 991290928 /nfs/dbraw/zinc/29/09/28/991290928.db2.gz TZZBEAMXMFPGLN-IBGZPJMESA-N 0 1 375.900 3.497 20 10 GGCDMN CN(C)c1ccc(C[NH+]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1 ZINC001598318262 991313863 /nfs/dbraw/zinc/31/38/63/991313863.db2.gz TUYDZYSRJOUHDD-FQEVSTJZSA-N 0 1 387.911 3.350 20 10 GGCDMN COc1ccc(O)c(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)c1 ZINC001599598733 993785172 /nfs/dbraw/zinc/78/51/72/993785172.db2.gz RKXAYRICYSMBST-UHFFFAOYSA-N 0 1 380.238 3.250 20 10 GGCDMN COC(=O)c1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598929118 997709077 /nfs/dbraw/zinc/70/90/77/997709077.db2.gz DNPHNNFTAROAQN-UHFFFAOYSA-N 0 1 382.460 3.402 20 10 GGCDMN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1O ZINC001599346145 998009076 /nfs/dbraw/zinc/00/90/76/998009076.db2.gz GFRBTQBGUQTYGZ-OAHLLOKOSA-N 0 1 380.238 3.421 20 10 GGCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC001599446489 998018024 /nfs/dbraw/zinc/01/80/24/998018024.db2.gz WOFQVSAHKWIINH-GFCCVEGCSA-N 0 1 378.450 3.210 20 10 GGCDMN COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c(C)c1OC ZINC001599558468 998140620 /nfs/dbraw/zinc/14/06/20/998140620.db2.gz CKIPMGIRBVRDJK-UHFFFAOYSA-N 0 1 379.840 3.458 20 10 GGCDMN C[C@@H]1CCCN(c2ccc(CNC3CC[NH+](CC(=O)[O-])CC3)cc2Cl)C1 ZINC001594388935 999472587 /nfs/dbraw/zinc/47/25/87/999472587.db2.gz KAUSJZYDZMMFMR-OAHLLOKOSA-N 0 1 379.932 3.215 20 10 GGCDMN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1cccc2nsnc21 ZINC000019101319 564302154 /nfs/dbraw/zinc/30/21/54/564302154.db2.gz JPLVUTNFEATCBN-UHFFFAOYSA-N 0 1 389.380 3.433 20 10 GGCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293944364 565191708 /nfs/dbraw/zinc/19/17/08/565191708.db2.gz IGYCKGVIRHPPOZ-LLVKDONJSA-N 0 1 379.092 3.264 20 10 GGCDMN Cc1cc(Br)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295015589 565240650 /nfs/dbraw/zinc/24/06/50/565240650.db2.gz JZYDCYSOFSZNOE-OAHLLOKOSA-N 0 1 382.302 3.046 20 10 GGCDMN COC[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000271731536 565265752 /nfs/dbraw/zinc/26/57/52/565265752.db2.gz NCLOGCXLLQIOKL-VIFPVBQESA-N 0 1 379.092 3.386 20 10 GGCDMN COCCOc1ncccc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273431190 565320092 /nfs/dbraw/zinc/32/00/92/565320092.db2.gz VSYWTBHTZBXMDY-GFCCVEGCSA-N 0 1 381.270 3.426 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cc1[O-] ZINC000273437547 565321059 /nfs/dbraw/zinc/32/10/59/565321059.db2.gz XMCQAUZBHWEYDB-LLVKDONJSA-N 0 1 399.310 3.377 20 10 GGCDMN CC(C)(O)C1C[NH+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000297425018 565372081 /nfs/dbraw/zinc/37/20/81/565372081.db2.gz NWZLIFCLXWXUJH-UHFFFAOYSA-N 0 1 379.092 3.120 20 10 GGCDMN O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275019412 565388887 /nfs/dbraw/zinc/38/88/87/565388887.db2.gz PFWUNJLQYNNUIN-LBPRGKRZSA-N 0 1 383.853 3.262 20 10 GGCDMN Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000376617500 565445508 /nfs/dbraw/zinc/44/55/08/565445508.db2.gz WKASMPVXSFBBMB-CYBMUJFWSA-N 0 1 381.263 3.154 20 10 GGCDMN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Br)cc1[O-] ZINC000277154288 565478654 /nfs/dbraw/zinc/47/86/54/565478654.db2.gz QMZDWNCSMVWLRR-LBPRGKRZSA-N 0 1 377.286 3.264 20 10 GGCDMN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000190425697 565530965 /nfs/dbraw/zinc/53/09/65/565530965.db2.gz IIMAXHLDZSBEPY-HOCLYGCPSA-N 0 1 380.286 3.381 20 10 GGCDMN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1[O-] ZINC000280988327 565706660 /nfs/dbraw/zinc/70/66/60/565706660.db2.gz MNEMHYQSGJRAKZ-CYBMUJFWSA-N 0 1 376.316 3.163 20 10 GGCDMN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ccc1[O-] ZINC000285577548 565914839 /nfs/dbraw/zinc/91/48/39/565914839.db2.gz GYJPREYCPARHRG-NSHDSACASA-N 0 1 376.316 3.163 20 10 GGCDMN O=C1C[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000179051194 565955778 /nfs/dbraw/zinc/95/57/78/565955778.db2.gz AXNHPXRZMAKELS-OAHLLOKOSA-N 0 1 389.293 3.293 20 10 GGCDMN O=S(=O)(NC1CCN(Cc2cc(Cl)ccc2O)CC1)c1cccs1 ZINC000179872296 566014839 /nfs/dbraw/zinc/01/48/39/566014839.db2.gz BJPZWVJSESNSMJ-UHFFFAOYSA-N 0 1 386.926 3.050 20 10 GGCDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1[O-] ZINC000363862969 566024099 /nfs/dbraw/zinc/02/40/99/566024099.db2.gz ZUCSGWJBPBIWNO-XHDPSFHLSA-N 0 1 380.286 3.072 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1Cc1ccccn1 ZINC000366232026 566142696 /nfs/dbraw/zinc/14/26/96/566142696.db2.gz VMYAECQHFHPMPV-INIZCTEOSA-N 0 1 380.275 3.375 20 10 GGCDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)C(F)(F)F ZINC000291451399 566220767 /nfs/dbraw/zinc/22/07/67/566220767.db2.gz CNEIGMOLJHCARQ-JTQLQIEISA-N 0 1 395.219 3.045 20 10 GGCDMN CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736242676 599953983 /nfs/dbraw/zinc/95/39/83/599953983.db2.gz XVGGVGMKSUNATL-HNNXBMFYSA-N 0 1 384.476 3.370 20 10 GGCDMN Cc1cc(C(=O)C[NH+]2CCC([C@@H](C)O)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317951 600333928 /nfs/dbraw/zinc/33/39/28/600333928.db2.gz CYZLVITXFWBVGL-MRXNPFEDSA-N 0 1 384.476 3.068 20 10 GGCDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738217284 600611247 /nfs/dbraw/zinc/61/12/47/600611247.db2.gz UWOWPHXBAYBOTM-XAVKZTDYSA-N 0 1 381.432 3.403 20 10 GGCDMN CC[N@H+]1CCCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC000737115502 600714040 /nfs/dbraw/zinc/71/40/40/600714040.db2.gz LJAVZRDXKALDLP-UHFFFAOYSA-N 0 1 383.492 3.003 20 10 GGCDMN Cc1cc(C(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317933 600794335 /nfs/dbraw/zinc/79/43/35/600794335.db2.gz BWYSQLDHBYHJCS-GOSISDBHSA-N 0 1 397.519 3.249 20 10 GGCDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830857304 600823059 /nfs/dbraw/zinc/82/30/59/600823059.db2.gz WWMVEXYZWIPSGW-IQBZNYMQSA-N 0 1 381.432 3.403 20 10 GGCDMN Cc1ccccc1NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000832978393 601006879 /nfs/dbraw/zinc/00/68/79/601006879.db2.gz CWOUEDKAOASMIV-UHFFFAOYSA-N 0 1 376.840 3.269 20 10 GGCDMN O=C([O-])C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Cl)ccc1O ZINC000833247975 601007029 /nfs/dbraw/zinc/00/70/29/601007029.db2.gz FGNZZLOHZKCKBU-UHFFFAOYSA-N 0 1 398.793 3.239 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000825946849 601898275 /nfs/dbraw/zinc/89/82/75/601898275.db2.gz SVDBIKKKJZDWNT-INIZCTEOSA-N 0 1 385.313 3.409 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000825946849 601898277 /nfs/dbraw/zinc/89/82/77/601898277.db2.gz SVDBIKKKJZDWNT-INIZCTEOSA-N 0 1 385.313 3.409 20 10 GGCDMN COc1cc(O)c(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC ZINC000833729367 604544575 /nfs/dbraw/zinc/54/45/75/604544575.db2.gz MHUYLEILDAEDAY-UHFFFAOYSA-N 0 1 381.375 3.165 20 10 GGCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694952 604676096 /nfs/dbraw/zinc/67/60/96/604676096.db2.gz FUUQOMZHVJVZNJ-LJQANCHMSA-N 0 1 394.393 3.198 20 10 GGCDMN Cc1cc(C(=O)CN2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c(C)n1-c1ccccc1C ZINC000833753414 605195304 /nfs/dbraw/zinc/19/53/04/605195304.db2.gz UQNPXURDGVCODK-GOSISDBHSA-N 0 1 397.519 3.066 20 10 GGCDMN CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000833455209 605717566 /nfs/dbraw/zinc/71/75/66/605717566.db2.gz SWGVEUWWLKLZIT-OAHLLOKOSA-N 0 1 382.888 3.017 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)c1cccc(Cl)c1)cc2=O ZINC000053233964 1406337680 /nfs/dbraw/zinc/33/76/80/1406337680.db2.gz DFVMYSQDRCJDEC-GFCCVEGCSA-N 0 1 388.855 3.458 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)CSc3ccccc3)CC2)cc1 ZINC000053639090 1406467747 /nfs/dbraw/zinc/46/77/47/1406467747.db2.gz OEHAMXCQNVJYOY-UHFFFAOYSA-N 0 1 399.560 3.116 20 10 GGCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000053774305 1406508214 /nfs/dbraw/zinc/50/82/14/1406508214.db2.gz UMPHZILXYNJCCL-KRWDZBQOSA-N 0 1 399.560 3.242 20 10 GGCDMN CC[C@@H]1CCCCN1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000053999544 1406584180 /nfs/dbraw/zinc/58/41/80/1406584180.db2.gz QRMYFACXWOQMFQ-LJQANCHMSA-N 0 1 388.556 3.181 20 10 GGCDMN O=S(=O)(c1ccccc1CNCc1ccc2c(c1)CCO2)N1CCCCC1 ZINC000054174040 1406640896 /nfs/dbraw/zinc/64/08/96/1406640896.db2.gz SSPOGJCPMCMANZ-UHFFFAOYSA-N 0 1 386.517 3.086 20 10 GGCDMN COc1ccc(N2CCN(C[C@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000054771878 1406821419 /nfs/dbraw/zinc/82/14/19/1406821419.db2.gz JXVDJQPCPDVPCQ-NRFANRHFSA-N 0 1 384.520 3.182 20 10 GGCDMN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)[nH]3)c2C)cc1 ZINC000011658954 1399002167 /nfs/dbraw/zinc/00/21/67/1399002167.db2.gz IHHOWSWEMOBVFJ-UHFFFAOYSA-N 0 1 384.461 3.282 20 10 GGCDMN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc(C)n[nH]3)c2C)cc1 ZINC000011658954 1399002172 /nfs/dbraw/zinc/00/21/72/1399002172.db2.gz IHHOWSWEMOBVFJ-UHFFFAOYSA-N 0 1 384.461 3.282 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CSc2n[nH]c(CCC3CCCC3)n2)cc1 ZINC000014805724 1399121693 /nfs/dbraw/zinc/12/16/93/1399121693.db2.gz KFPUAFRXZFHHRN-UHFFFAOYSA-N 0 1 387.553 3.402 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CSc2nc(CCC3CCCC3)n[nH]2)cc1 ZINC000014805724 1399121699 /nfs/dbraw/zinc/12/16/99/1399121699.db2.gz KFPUAFRXZFHHRN-UHFFFAOYSA-N 0 1 387.553 3.402 20 10 GGCDMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386844 1399237009 /nfs/dbraw/zinc/23/70/09/1399237009.db2.gz FHBDBDQUSQSDMR-SFHVURJKSA-N 0 1 383.540 3.486 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000018176757 1399305934 /nfs/dbraw/zinc/30/59/34/1399305934.db2.gz DXBVSPZFSQZCCC-UHFFFAOYSA-N 0 1 382.508 3.337 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)CCc3cccs3)CC2)cc1 ZINC000024088852 1399601481 /nfs/dbraw/zinc/60/14/81/1399601481.db2.gz NIWYERHUHVVULV-UHFFFAOYSA-N 0 1 387.549 3.018 20 10 GGCDMN COc1ccc(N2CCN(CCCNc3cnc4ccccc4n3)CC2)cc1 ZINC000026137252 1399864096 /nfs/dbraw/zinc/86/40/96/1399864096.db2.gz SLNSXTGKFLUMAE-UHFFFAOYSA-N 0 1 377.492 3.263 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000043047792 1403696360 /nfs/dbraw/zinc/69/63/60/1403696360.db2.gz PVBNMGYYCXOKPC-NQIIRXRSSA-N 0 1 388.556 3.085 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)NCc3ccccc3C)CC2)cc1 ZINC000045578510 1404151255 /nfs/dbraw/zinc/15/12/55/1404151255.db2.gz AQSQFFFJJNXCRJ-UHFFFAOYSA-N 0 1 396.535 3.015 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)NC3CCCCCC3)CC2)cc1 ZINC000045578714 1404151268 /nfs/dbraw/zinc/15/12/68/1404151268.db2.gz QIUHBKUPTCVOHW-UHFFFAOYSA-N 0 1 388.556 3.229 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000045578502 1404151461 /nfs/dbraw/zinc/15/14/61/1404151461.db2.gz QBAPLPVZSQVOJE-UHFFFAOYSA-N 0 1 396.535 3.015 20 10 GGCDMN O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(Cc2ccccn2)CC1 ZINC000045755080 1404195312 /nfs/dbraw/zinc/19/53/12/1404195312.db2.gz RLSYSUYRPKAKKO-UHFFFAOYSA-N 0 1 393.535 3.146 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1ccc3ccccc3c1)cc2=O ZINC000047279323 1404785045 /nfs/dbraw/zinc/78/50/45/1404785045.db2.gz SAMAPNCLONZIMW-UHFFFAOYSA-N 0 1 390.443 3.397 20 10 GGCDMN COc1cc2c(cc1CNCc1ccc(N3CCOCC3)c(F)c1)O[C@H](C)C2 ZINC000048748727 1405281055 /nfs/dbraw/zinc/28/10/55/1405281055.db2.gz MGOVWXSGDUXPOT-OAHLLOKOSA-N 0 1 386.467 3.284 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000175575284 1427819728 /nfs/dbraw/zinc/81/97/28/1427819728.db2.gz VRXWERISZUZVNR-HNNXBMFYSA-N 0 1 386.471 3.431 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000175575284 1427819732 /nfs/dbraw/zinc/81/97/32/1427819732.db2.gz VRXWERISZUZVNR-HNNXBMFYSA-N 0 1 386.471 3.431 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O ZINC000175575284 1427819735 /nfs/dbraw/zinc/81/97/35/1427819735.db2.gz VRXWERISZUZVNR-HNNXBMFYSA-N 0 1 386.471 3.431 20 10 GGCDMN Cc1ccc([C@H](C)N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000051907281 1405884389 /nfs/dbraw/zinc/88/43/89/1405884389.db2.gz DGFNPJVELXVJIQ-SFHVURJKSA-N 0 1 399.510 3.280 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H](C)C3(C)CC3)CC2)cc1 ZINC000176365063 1428273845 /nfs/dbraw/zinc/27/38/45/1428273845.db2.gz CLAYZPNIIBKHHY-SFHVURJKSA-N 0 1 388.556 3.037 20 10 GGCDMN COCCn1c(C)cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1C ZINC000063824074 1408420970 /nfs/dbraw/zinc/42/09/70/1408420970.db2.gz JPOUYLMNAAATRE-ATVHPVEESA-N 0 1 393.578 3.047 20 10 GGCDMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000064311831 1408532702 /nfs/dbraw/zinc/53/27/02/1408532702.db2.gz RNPCELXJTZLVMB-UHFFFAOYSA-N 0 1 391.468 3.440 20 10 GGCDMN Cc1cc(O)c(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000064942323 1408630571 /nfs/dbraw/zinc/63/05/71/1408630571.db2.gz DDWSGYWIXGQRRT-UHFFFAOYSA-N 0 1 377.506 3.313 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000065955972 1408762053 /nfs/dbraw/zinc/76/20/53/1408762053.db2.gz UCQWXUWYLHDBTB-UHFFFAOYSA-N 0 1 394.563 3.312 20 10 GGCDMN NC(=O)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000066940612 1408958771 /nfs/dbraw/zinc/95/87/71/1408958771.db2.gz AZWHVFYRNUJUNY-SFHVURJKSA-N 0 1 393.409 3.212 20 10 GGCDMN COc1ccc(N2CCC(N[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000069163676 1409578802 /nfs/dbraw/zinc/57/88/02/1409578802.db2.gz KBWWILBIHAACFL-JOCHJYFZSA-N 0 1 397.494 3.413 20 10 GGCDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069746049 1409689629 /nfs/dbraw/zinc/68/96/29/1409689629.db2.gz QQGWSNHZLGDWTG-HXUWFJFHSA-N 0 1 381.520 3.279 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3cccs3)cc2F)CC1 ZINC000078117520 1409909790 /nfs/dbraw/zinc/90/97/90/1409909790.db2.gz FHHZDJJIHIVXFA-OAHLLOKOSA-N 0 1 375.513 3.449 20 10 GGCDMN COc1ccc(N2CCCN(Cc3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000092380783 1410148524 /nfs/dbraw/zinc/14/85/24/1410148524.db2.gz PFXWWBHLZMDSSA-UHFFFAOYSA-N 0 1 386.492 3.433 20 10 GGCDMN COc1ccc(N2CCCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1 ZINC000092380746 1410148653 /nfs/dbraw/zinc/14/86/53/1410148653.db2.gz RUAZRUIQLREVIS-UHFFFAOYSA-N 0 1 386.492 3.433 20 10 GGCDMN C[N@H+](Cc1cccc(Br)c1[O-])C[C@H](O)COCc1ccccc1 ZINC000092472407 1410159857 /nfs/dbraw/zinc/15/98/57/1410159857.db2.gz VNGXTHXHKOIHGZ-INIZCTEOSA-N 0 1 380.282 3.164 20 10 GGCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472055 1410160520 /nfs/dbraw/zinc/16/05/20/1410160520.db2.gz IUCJOJSJAUNHGW-QGZVFWFLSA-N 0 1 380.282 3.164 20 10 GGCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472055 1410160526 /nfs/dbraw/zinc/16/05/26/1410160526.db2.gz IUCJOJSJAUNHGW-QGZVFWFLSA-N 0 1 380.282 3.164 20 10 GGCDMN O=C(Cc1cccc(F)c1)N1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000092535108 1410169390 /nfs/dbraw/zinc/16/93/90/1410169390.db2.gz JLSJOONBVXHYPR-UHFFFAOYSA-N 0 1 376.859 3.462 20 10 GGCDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092567796 1410174683 /nfs/dbraw/zinc/17/46/83/1410174683.db2.gz FKOSTEOKKNKWJA-UHFFFAOYSA-N 0 1 383.467 3.183 20 10 GGCDMN COc1cc(Br)cc(CN2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000092706043 1410191772 /nfs/dbraw/zinc/19/17/72/1410191772.db2.gz CAYOMJFVOXILQC-CYBMUJFWSA-N 0 1 399.329 3.148 20 10 GGCDMN Cc1nc(CN2CCN(Cc3cccc(Br)c3O)CC2)oc1C ZINC000093056159 1410219125 /nfs/dbraw/zinc/21/91/25/1410219125.db2.gz PMRVUCMQUXCWFK-UHFFFAOYSA-N 0 1 380.286 3.077 20 10 GGCDMN CCc1nsc(N2CCC[N@@H+](Cc3cccc(Br)c3[O-])CC2)n1 ZINC000093871573 1410278602 /nfs/dbraw/zinc/27/86/02/1410278602.db2.gz AANOKDXOZHPNEA-UHFFFAOYSA-N 0 1 397.342 3.281 20 10 GGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000097105843 1410352689 /nfs/dbraw/zinc/35/26/89/1410352689.db2.gz PPSRJABMPUTHLJ-UHFFFAOYSA-N 0 1 394.563 3.162 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C\c3cccs3)CC2)cc1 ZINC000098004005 1410393913 /nfs/dbraw/zinc/39/39/13/1410393913.db2.gz PAVDVYGMNWGFSM-KTKRTIGZSA-N 0 1 385.533 3.098 20 10 GGCDMN O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000102884902 1410804005 /nfs/dbraw/zinc/80/40/05/1410804005.db2.gz XVBQNNFOHSPHSX-UHFFFAOYSA-N 0 1 389.455 3.046 20 10 GGCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000102885339 1410804081 /nfs/dbraw/zinc/80/40/81/1410804081.db2.gz RJPLOHPKAKLJRO-QGZVFWFLSA-N 0 1 396.487 3.067 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000103508180 1410864866 /nfs/dbraw/zinc/86/48/66/1410864866.db2.gz PJBAHDOTYGCFPH-CVEARBPZSA-N 0 1 383.492 3.208 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000103608147 1410868650 /nfs/dbraw/zinc/86/86/50/1410868650.db2.gz XQCCDEVGFSDPAC-UGSOOPFHSA-N 0 1 375.444 3.203 20 10 GGCDMN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000105432757 1411066208 /nfs/dbraw/zinc/06/62/08/1411066208.db2.gz MXHNZRYYFRTXOO-UHFFFAOYSA-N 0 1 382.913 3.163 20 10 GGCDMN COc1ccc([C@H](C)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000105731118 1411115508 /nfs/dbraw/zinc/11/55/08/1411115508.db2.gz ATYOQKOUJUSGMK-SFHVURJKSA-N 0 1 397.519 3.045 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCCc3cccs3)cc2F)CC1 ZINC000106512252 1411227131 /nfs/dbraw/zinc/22/71/31/1411227131.db2.gz ONGOFVSVKXLXJH-UHFFFAOYSA-N 0 1 390.528 3.071 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCc3cccc(F)c3)cc2F)CC1 ZINC000106525830 1411232580 /nfs/dbraw/zinc/23/25/80/1411232580.db2.gz ZWEYERHFEBHGEM-UHFFFAOYSA-N 0 1 388.462 3.106 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccccn3)cc2F)CC1 ZINC000106584765 1411256879 /nfs/dbraw/zinc/25/68/79/1411256879.db2.gz KLPLCHMETDQIRS-KRWDZBQOSA-N 0 1 399.514 3.265 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3)cc2F)CC1 ZINC000106584884 1411258218 /nfs/dbraw/zinc/25/82/18/1411258218.db2.gz RLIKLIFEYNPKJL-UHFFFAOYSA-N 0 1 384.499 3.309 20 10 GGCDMN CCCN(CC1CC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106584831 1411258371 /nfs/dbraw/zinc/25/83/71/1411258371.db2.gz QJPHHPRDUVQBPQ-UHFFFAOYSA-N 0 1 376.520 3.299 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3cccnc3)cc2F)CC1 ZINC000106584904 1411258413 /nfs/dbraw/zinc/25/84/13/1411258413.db2.gz YSKOVKAOXAKMAA-QGZVFWFLSA-N 0 1 399.514 3.265 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccco3)cc2F)CC1 ZINC000106584815 1411258714 /nfs/dbraw/zinc/25/87/14/1411258714.db2.gz JKVGIIVJPPYZIP-INIZCTEOSA-N 0 1 388.487 3.463 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3cccnc3)cc2F)CC1 ZINC000106584902 1411258851 /nfs/dbraw/zinc/25/88/51/1411258851.db2.gz YSKOVKAOXAKMAA-KRWDZBQOSA-N 0 1 399.514 3.265 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(COC)c3)cc2F)CC1 ZINC000106701936 1411279846 /nfs/dbraw/zinc/27/98/46/1411279846.db2.gz RULYCEVJZGHBEP-UHFFFAOYSA-N 0 1 385.483 3.044 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2F)CC1 ZINC000107598095 1411390754 /nfs/dbraw/zinc/39/07/54/1411390754.db2.gz LVDDJZHRMYAJME-UHFFFAOYSA-N 0 1 380.467 3.379 20 10 GGCDMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000109773685 1411809360 /nfs/dbraw/zinc/80/93/60/1411809360.db2.gz ZUBDBJLEBOHIJS-INIZCTEOSA-N 0 1 383.492 3.333 20 10 GGCDMN CN(CC(=O)NCc1cccc(COCc2ccco2)c1)Cc1ccccc1O ZINC000111236198 1411896825 /nfs/dbraw/zinc/89/68/25/1411896825.db2.gz MDKZWWIRQCSDOE-UHFFFAOYSA-N 0 1 394.471 3.450 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403712 1411943096 /nfs/dbraw/zinc/94/30/96/1411943096.db2.gz ALSLRGHOJALUCM-UHFFFAOYSA-N 0 1 383.330 3.279 20 10 GGCDMN CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000112816948 1412221139 /nfs/dbraw/zinc/22/11/39/1412221139.db2.gz QFKPUHGJAOSYBY-OAQYLSRUSA-N 0 1 391.531 3.322 20 10 GGCDMN COc1ccc([C@H](C[NH2+]Cc2c([O-])cccc2Cl)N2CCOCC2)cc1 ZINC000113313191 1412291740 /nfs/dbraw/zinc/29/17/40/1412291740.db2.gz ANXDFZGPQIZSLG-IBGZPJMESA-N 0 1 376.884 3.217 20 10 GGCDMN O=C(NCC[NH2+]Cc1c([O-])cccc1Cl)c1cccc(Br)c1 ZINC000113354586 1412297072 /nfs/dbraw/zinc/29/70/72/1412297072.db2.gz XOCAXNQDLJJEAX-UHFFFAOYSA-N 0 1 383.673 3.328 20 10 GGCDMN COc1cccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N(C)C)c1 ZINC000115785643 1412788356 /nfs/dbraw/zinc/78/83/56/1412788356.db2.gz GCEQBQWSJOCNGE-OAQYLSRUSA-N 0 1 384.524 3.172 20 10 GGCDMN CN(C)c1ccc(CNCc2ccccc2OCC(=O)NCC2CC2)cc1F ZINC000116337225 1412851101 /nfs/dbraw/zinc/85/11/01/1412851101.db2.gz JZDWUNGXANZIIX-UHFFFAOYSA-N 0 1 385.483 3.087 20 10 GGCDMN O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000117948415 1413092164 /nfs/dbraw/zinc/09/21/64/1413092164.db2.gz FUORAGDXMVPBCI-UHFFFAOYSA-N 0 1 394.924 3.130 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN[C@@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000118839074 1413241910 /nfs/dbraw/zinc/24/19/10/1413241910.db2.gz NLYZQBAOYMIIHV-JOCHJYFZSA-N 0 1 396.535 3.034 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)Cc2ccccc2F)c1 ZINC000119608005 1413502261 /nfs/dbraw/zinc/50/22/61/1413502261.db2.gz PRTRPEBPVNVUGL-UHFFFAOYSA-N 0 1 386.467 3.198 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000119608005 1413502265 /nfs/dbraw/zinc/50/22/65/1413502265.db2.gz PRTRPEBPVNVUGL-UHFFFAOYSA-N 0 1 386.467 3.198 20 10 GGCDMN CN(C)c1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1F ZINC000119859420 1413596269 /nfs/dbraw/zinc/59/62/69/1413596269.db2.gz LYNSTPPVQIKHBV-UHFFFAOYSA-N 0 1 376.520 3.488 20 10 GGCDMN CN(C)c1ccc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000119991392 1413644674 /nfs/dbraw/zinc/64/46/74/1413644674.db2.gz ZHSQXCPXWSXHFH-UHFFFAOYSA-N 0 1 376.522 3.057 20 10 GGCDMN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000120026870 1413659045 /nfs/dbraw/zinc/65/90/45/1413659045.db2.gz NDWIUYWBZGKSFY-LBPRGKRZSA-N 0 1 393.281 3.130 20 10 GGCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000120078173 1413678461 /nfs/dbraw/zinc/67/84/61/1413678461.db2.gz TURHTTONBSADGR-IBGZPJMESA-N 0 1 378.476 3.450 20 10 GGCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000120078244 1413678578 /nfs/dbraw/zinc/67/85/78/1413678578.db2.gz TURHTTONBSADGR-LJQANCHMSA-N 0 1 378.476 3.450 20 10 GGCDMN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC000120366693 1413803306 /nfs/dbraw/zinc/80/33/06/1413803306.db2.gz YHVBBKXUULFRMR-MRXNPFEDSA-N 0 1 389.487 3.081 20 10 GGCDMN CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000120863438 1413930485 /nfs/dbraw/zinc/93/04/85/1413930485.db2.gz AKCROTDIKNGHDC-LJQANCHMSA-N 0 1 381.520 3.397 20 10 GGCDMN CCN(C(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000120863438 1413930490 /nfs/dbraw/zinc/93/04/90/1413930490.db2.gz AKCROTDIKNGHDC-LJQANCHMSA-N 0 1 381.520 3.397 20 10 GGCDMN COc1ccc(OC)c2c1CN(Cc1cccc(Br)c1O)C[C@H]2O ZINC000121106205 1414009799 /nfs/dbraw/zinc/00/97/99/1414009799.db2.gz KTJBMZZNKYAYTN-CQSZACIVSA-N 0 1 394.265 3.221 20 10 GGCDMN COc1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000121363750 1414095703 /nfs/dbraw/zinc/09/57/03/1414095703.db2.gz NCXHTLJTEDOZFW-UHFFFAOYSA-N 0 1 377.422 3.004 20 10 GGCDMN COc1ccc(N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1F ZINC000121981722 1414331287 /nfs/dbraw/zinc/33/12/87/1414331287.db2.gz SVRAXGDMTNYBFE-UHFFFAOYSA-N 0 1 397.494 3.393 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](C)c1ccc(F)c(F)c1)cc2=O ZINC000122207107 1414388973 /nfs/dbraw/zinc/38/89/73/1414388973.db2.gz DYZWTSXWRDDHPU-NSHDSACASA-N 0 1 390.390 3.083 20 10 GGCDMN COc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1S(C)(=O)=O ZINC000122444558 1414461990 /nfs/dbraw/zinc/46/19/90/1414461990.db2.gz DKMAWUAMDKNVOE-ZDUSSCGKSA-N 0 1 380.485 3.155 20 10 GGCDMN Cc1nc(CN2CCN(Cc3cccc(Br)c3O)CC2)cs1 ZINC000123950790 1414855937 /nfs/dbraw/zinc/85/59/37/1414855937.db2.gz JBGBAKUTZVJANB-UHFFFAOYSA-N 0 1 382.327 3.237 20 10 GGCDMN COc1cc(Br)cc(CNCc2cn3cccc(C)c3n2)c1O ZINC000123988136 1414863410 /nfs/dbraw/zinc/86/34/10/1414863410.db2.gz CQTCNMIBIYGLSL-UHFFFAOYSA-N 0 1 376.254 3.409 20 10 GGCDMN Cc1ccc(-c2noc(CN3CCN(Cc4cc(C)ccc4O)CC3)n2)cc1 ZINC000124270389 1414925861 /nfs/dbraw/zinc/92/58/61/1414925861.db2.gz YAJJJDUFWRRKCF-UHFFFAOYSA-N 0 1 378.476 3.377 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000124848342 1415058520 /nfs/dbraw/zinc/05/85/20/1415058520.db2.gz UCBABRZILVFGAF-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000124848342 1415058524 /nfs/dbraw/zinc/05/85/24/1415058524.db2.gz UCBABRZILVFGAF-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN CC[N@@H+](Cc1ccccc1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000125516216 1415219116 /nfs/dbraw/zinc/21/91/16/1415219116.db2.gz UHOZHWCDKXFVEE-UHFFFAOYSA-N 0 1 382.504 3.449 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000125738941 1415267163 /nfs/dbraw/zinc/26/71/63/1415267163.db2.gz PZDKKQMJYHLVSI-UHFFFAOYSA-N 0 1 395.547 3.093 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCCS3)cc2F)CC1 ZINC000126152562 1415371279 /nfs/dbraw/zinc/37/12/79/1415371279.db2.gz GGKURBIBTVPHOK-FQEVSTJZSA-N 0 1 394.560 3.053 20 10 GGCDMN O=S(=O)([N-]c1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(F)c1 ZINC000126609466 1415505998 /nfs/dbraw/zinc/50/59/98/1415505998.db2.gz FVFVYCCGNSDTFW-UHFFFAOYSA-N 0 1 389.496 3.159 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178069929 1428968804 /nfs/dbraw/zinc/96/88/04/1428968804.db2.gz FGVVQNRGDXWURQ-FQEVSTJZSA-N 0 1 381.520 3.197 20 10 GGCDMN O=C(/C=C/c1cncc(F)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000130148307 1416327344 /nfs/dbraw/zinc/32/73/44/1416327344.db2.gz DCSNLJSQRKOSDK-HNSSHINMSA-N 0 1 389.858 3.374 20 10 GGCDMN O=C(/C=C/c1cncc(F)c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000130148307 1416327352 /nfs/dbraw/zinc/32/73/52/1416327352.db2.gz DCSNLJSQRKOSDK-HNSSHINMSA-N 0 1 389.858 3.374 20 10 GGCDMN O=C(/C=C/c1cncc(F)c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000130148307 1416327362 /nfs/dbraw/zinc/32/73/62/1416327362.db2.gz DCSNLJSQRKOSDK-HNSSHINMSA-N 0 1 389.858 3.374 20 10 GGCDMN CCCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1O ZINC000130734384 1416438037 /nfs/dbraw/zinc/43/80/37/1416438037.db2.gz NENHFMPEEOWKEA-UHFFFAOYSA-N 0 1 381.476 3.370 20 10 GGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000131007255 1416495231 /nfs/dbraw/zinc/49/52/31/1416495231.db2.gz AWFMQAYISUYJCG-NSHDSACASA-N 0 1 386.673 3.338 20 10 GGCDMN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NCCN2CCN(C)CC2)cc1 ZINC000131581041 1416579530 /nfs/dbraw/zinc/57/95/30/1416579530.db2.gz SGFOTRVBHVTWRX-OCOZRVBESA-N 0 1 394.523 3.145 20 10 GGCDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000133022844 1416842950 /nfs/dbraw/zinc/84/29/50/1416842950.db2.gz ZMPBSSWNJPEFOF-CYBMUJFWSA-N 0 1 376.478 3.398 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2F)CC1 ZINC000133953145 1417001156 /nfs/dbraw/zinc/00/11/56/1417001156.db2.gz CTOPSFWLLZAMHP-UHFFFAOYSA-N 0 1 391.437 3.105 20 10 GGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=S ZINC000134258960 1417045343 /nfs/dbraw/zinc/04/53/43/1417045343.db2.gz ZTIBYUOTXSDWSY-CQSZACIVSA-N 0 1 377.897 3.124 20 10 GGCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=S ZINC000134258960 1417045347 /nfs/dbraw/zinc/04/53/47/1417045347.db2.gz ZTIBYUOTXSDWSY-CQSZACIVSA-N 0 1 377.897 3.124 20 10 GGCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1ccc[nH]c1=S ZINC000134258960 1417045355 /nfs/dbraw/zinc/04/53/55/1417045355.db2.gz ZTIBYUOTXSDWSY-CQSZACIVSA-N 0 1 377.897 3.124 20 10 GGCDMN O=C(CCC1CCOCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262079 1417045469 /nfs/dbraw/zinc/04/54/69/1417045469.db2.gz HAZLJMPAZLPHQE-SFHVURJKSA-N 0 1 380.916 3.333 20 10 GGCDMN CC(C)n1nccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134263349 1417046302 /nfs/dbraw/zinc/04/63/02/1417046302.db2.gz GRZQEZNSXAQGMJ-INIZCTEOSA-N 0 1 376.888 3.217 20 10 GGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2[nH]cnc2c1 ZINC000134264221 1417046339 /nfs/dbraw/zinc/04/63/39/1417046339.db2.gz SDFGYDGRAUDYLC-INIZCTEOSA-N 0 1 384.867 3.316 20 10 GGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2[nH]cnc2c1 ZINC000134264200 1417046383 /nfs/dbraw/zinc/04/63/83/1417046383.db2.gz SDFGYDGRAUDYLC-MRXNPFEDSA-N 0 1 384.867 3.316 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3C(C)C)CC2)cc1 ZINC000138895706 1417440866 /nfs/dbraw/zinc/44/08/66/1417440866.db2.gz XWQHCRSWCWPRIR-NRFANRHFSA-N 0 1 388.556 3.037 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000152012787 1418120541 /nfs/dbraw/zinc/12/05/41/1418120541.db2.gz AEDDAPOFRWDEDB-JKSUJKDBSA-N 0 1 398.507 3.382 20 10 GGCDMN Oc1ccccc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000179559852 1429432238 /nfs/dbraw/zinc/43/22/38/1429432238.db2.gz XOEJYFIFHSRFCR-UHFFFAOYSA-N 0 1 384.867 3.413 20 10 GGCDMN COc1cc(C)c([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000179617447 1429473067 /nfs/dbraw/zinc/47/30/67/1429473067.db2.gz YPRXGYXVYUQXJU-QGZVFWFLSA-N 0 1 399.535 3.387 20 10 GGCDMN COc1cc(C)c([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000179617465 1429473166 /nfs/dbraw/zinc/47/31/66/1429473166.db2.gz YPRXGYXVYUQXJU-KRWDZBQOSA-N 0 1 399.535 3.387 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(F)c(OC)c3)cc2F)CC1 ZINC000153144526 1422370922 /nfs/dbraw/zinc/37/09/22/1422370922.db2.gz MTAJIVPIOMUNCX-UHFFFAOYSA-N 0 1 389.446 3.045 20 10 GGCDMN C[C@@H](C(=O)Nc1cccnc1Cl)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153331501 1422474172 /nfs/dbraw/zinc/47/41/72/1422474172.db2.gz PLPJPGULHPIUMS-HNNXBMFYSA-N 0 1 388.899 3.031 20 10 GGCDMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000153345289 1422481741 /nfs/dbraw/zinc/48/17/41/1422481741.db2.gz UXBHZIDESMMPLS-QGZVFWFLSA-N 0 1 385.483 3.430 20 10 GGCDMN CN(Cc1ccc(N2CCCCC2)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000154084225 1422838022 /nfs/dbraw/zinc/83/80/22/1422838022.db2.gz IKNJNGZGCVKIFU-UHFFFAOYSA-N 0 1 398.532 3.131 20 10 GGCDMN COc1cccc(-c2nc(C)c(C(=O)N3CCOc4cc(N(C)C)ccc43)[nH]2)c1 ZINC000154284991 1422866865 /nfs/dbraw/zinc/86/68/65/1422866865.db2.gz FIQRKGBLTRQMRS-UHFFFAOYSA-N 0 1 392.459 3.499 20 10 GGCDMN CCN1CCN(c2ccc(CNc3nnc(C(F)(F)F)s3)cc2F)CC1 ZINC000154479193 1422894280 /nfs/dbraw/zinc/89/42/80/1422894280.db2.gz PVFWPSZZYSPWJV-UHFFFAOYSA-N 0 1 389.422 3.450 20 10 GGCDMN CN(CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000154745840 1423019572 /nfs/dbraw/zinc/01/95/72/1423019572.db2.gz MJTGIQBPKZIBTM-UHFFFAOYSA-N 0 1 393.531 3.146 20 10 GGCDMN Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000179953064 1429660418 /nfs/dbraw/zinc/66/04/18/1429660418.db2.gz JEFOZBJRXIFVRQ-UHFFFAOYSA-N 0 1 385.533 3.328 20 10 GGCDMN Cc1cc(Br)c(O)c(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826256367 1429684784 /nfs/dbraw/zinc/68/47/84/1429684784.db2.gz FUEGKTCLWNHFHL-UHFFFAOYSA-N 0 1 392.232 3.072 20 10 GGCDMN CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000180103519 1429739070 /nfs/dbraw/zinc/73/90/70/1429739070.db2.gz PZMBMNSISKIILB-RTBURBONSA-N 0 1 391.531 3.179 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccncc3)cc2F)CC1 ZINC000160469609 1424606519 /nfs/dbraw/zinc/60/65/19/1424606519.db2.gz YAPGGXFUBGGKBF-QGZVFWFLSA-N 0 1 384.499 3.173 20 10 GGCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NCc1ccccc1 ZINC000161215409 1424667589 /nfs/dbraw/zinc/66/75/89/1424667589.db2.gz JXFWRROCSXLKIU-IRXDYDNUSA-N 0 1 385.483 3.018 20 10 GGCDMN CN1CCCc2cc(CNC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)ccc21 ZINC000163115362 1424943968 /nfs/dbraw/zinc/94/39/68/1424943968.db2.gz QJDGGKGVXDFSOC-SFHVURJKSA-N 0 1 394.523 3.154 20 10 GGCDMN COCOc1ccc(OC)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164213899 1425087935 /nfs/dbraw/zinc/08/79/35/1425087935.db2.gz KFMTWBYEFNESOL-QGZVFWFLSA-N 0 1 386.492 3.365 20 10 GGCDMN COCOc1ccc(OC)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164213771 1425088182 /nfs/dbraw/zinc/08/81/82/1425088182.db2.gz KFMTWBYEFNESOL-KRWDZBQOSA-N 0 1 386.492 3.365 20 10 GGCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000171118659 1425492262 /nfs/dbraw/zinc/49/22/62/1425492262.db2.gz WTBAEUDRSVPEGI-CQSZACIVSA-N 0 1 390.325 3.482 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ncc(C)s3)cc2F)CC1 ZINC000171687191 1425789247 /nfs/dbraw/zinc/78/92/47/1425789247.db2.gz ZFEPPSUAHBDCGE-UHFFFAOYSA-N 0 1 377.489 3.054 20 10 GGCDMN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000172689820 1426144106 /nfs/dbraw/zinc/14/41/06/1426144106.db2.gz OPVCVIJPYUAJBR-HXUWFJFHSA-N 0 1 380.492 3.292 20 10 GGCDMN CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825417413 1426315735 /nfs/dbraw/zinc/31/57/35/1426315735.db2.gz RFNRENDFKXUWMC-NRFANRHFSA-N 0 1 392.507 3.286 20 10 GGCDMN CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825417413 1426315741 /nfs/dbraw/zinc/31/57/41/1426315741.db2.gz RFNRENDFKXUWMC-NRFANRHFSA-N 0 1 392.507 3.286 20 10 GGCDMN Cc1cc(C)c(O)c(C[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826263772 1426508838 /nfs/dbraw/zinc/50/88/38/1426508838.db2.gz PYNVTKPLBAKSGQ-UHFFFAOYSA-N 0 1 379.464 3.233 20 10 GGCDMN Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826256749 1426832805 /nfs/dbraw/zinc/83/28/05/1426832805.db2.gz YRNUBRRLDYVSTF-NSHDSACASA-N 0 1 388.269 3.494 20 10 GGCDMN COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)CC2)cc1 ZINC000826209000 1427116908 /nfs/dbraw/zinc/11/69/08/1427116908.db2.gz JDXKLZXSGFTFNY-AWEZNQCLSA-N 0 1 396.470 3.334 20 10 GGCDMN CCN(CC(=O)NCc1cccs1)Cc1cc(Br)ccc1O ZINC000174426215 1427151452 /nfs/dbraw/zinc/15/14/52/1427151452.db2.gz UGTLKYJAAOIZSS-UHFFFAOYSA-N 0 1 383.311 3.355 20 10 GGCDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000174539238 1427211163 /nfs/dbraw/zinc/21/11/63/1427211163.db2.gz OQGINJPDFYQNQD-UHFFFAOYSA-N 0 1 398.507 3.207 20 10 GGCDMN Cc1cc(C(=O)CN(C)Cc2nnc[nH]2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000174807914 1427380033 /nfs/dbraw/zinc/38/00/33/1427380033.db2.gz GWXMBCWZSRHNFR-UHFFFAOYSA-N 0 1 375.835 3.319 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000175575311 1427820109 /nfs/dbraw/zinc/82/01/09/1427820109.db2.gz VRXWERISZUZVNR-OAHLLOKOSA-N 0 1 386.471 3.431 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000175575311 1427820113 /nfs/dbraw/zinc/82/01/13/1427820113.db2.gz VRXWERISZUZVNR-OAHLLOKOSA-N 0 1 386.471 3.431 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000175575311 1427820115 /nfs/dbraw/zinc/82/01/15/1427820115.db2.gz VRXWERISZUZVNR-OAHLLOKOSA-N 0 1 386.471 3.431 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175940655 1427985563 /nfs/dbraw/zinc/98/55/63/1427985563.db2.gz QSJQBUOMDSLGOP-AWEZNQCLSA-N 0 1 375.444 3.032 20 10 GGCDMN CCN(CC)c1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176038607 1428040058 /nfs/dbraw/zinc/04/00/58/1428040058.db2.gz QTMLWIHWJRQCJF-UHFFFAOYSA-N 0 1 397.523 3.015 20 10 GGCDMN Clc1ccc(C2=CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)CC2)cn1 ZINC000826351524 1429815342 /nfs/dbraw/zinc/81/53/42/1429815342.db2.gz QBULMZHGJSQMGL-UHFFFAOYSA-N 0 1 379.855 3.093 20 10 GGCDMN COc1ccc(N2CCN(Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1F ZINC000180549993 1429895740 /nfs/dbraw/zinc/89/57/40/1429895740.db2.gz IGKXDCAUDSKDOX-UHFFFAOYSA-N 0 1 381.455 3.046 20 10 GGCDMN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(NCc2ccc(N(C)C)c(F)c2)C1 ZINC000180578794 1429908253 /nfs/dbraw/zinc/90/82/53/1429908253.db2.gz WLNCZRPAPMMQOT-UHFFFAOYSA-N 0 1 394.487 3.033 20 10 GGCDMN Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145109 1430225844 /nfs/dbraw/zinc/22/58/44/1430225844.db2.gz QRAZERDNBZBGNY-LAUBAEHRSA-N 0 1 397.494 3.427 20 10 GGCDMN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189284 1430242856 /nfs/dbraw/zinc/24/28/56/1430242856.db2.gz QLEYRYHAXUABHH-VQIMIIECSA-N 0 1 399.514 3.314 20 10 GGCDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000181356434 1430281098 /nfs/dbraw/zinc/28/10/98/1430281098.db2.gz PFYIGFYAFBFOBI-FQEVSTJZSA-N 0 1 385.427 3.417 20 10 GGCDMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000182522300 1430482913 /nfs/dbraw/zinc/48/29/13/1430482913.db2.gz KRIDITNZQTXOCP-MRXNPFEDSA-N 0 1 382.508 3.020 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1cc3ccccc3o1)cc2=O ZINC000182623562 1430504587 /nfs/dbraw/zinc/50/45/87/1430504587.db2.gz DIFDIBATGXLWNI-GFCCVEGCSA-N 0 1 380.404 3.209 20 10 GGCDMN CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1 ZINC000182805702 1430543647 /nfs/dbraw/zinc/54/36/47/1430543647.db2.gz ISODLMVVZDBNLV-UHFFFAOYSA-N 0 1 386.495 3.239 20 10 GGCDMN COc1cc(N2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000183696297 1430775382 /nfs/dbraw/zinc/77/53/82/1430775382.db2.gz POFPTNSVGXCPFO-MRXNPFEDSA-N 0 1 381.476 3.467 20 10 GGCDMN COc1cc(N2CCN(Cc3ccccc3N(C)C)CC2)cc(OC)c1OC ZINC000183704856 1430777723 /nfs/dbraw/zinc/77/77/23/1430777723.db2.gz JONIHNYRHSTMEK-UHFFFAOYSA-N 0 1 385.508 3.101 20 10 GGCDMN Cc1c(-c2cc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)on2)cnn1C ZINC000184653778 1430930904 /nfs/dbraw/zinc/93/09/04/1430930904.db2.gz OQVZXWZEMNTAFU-KRWDZBQOSA-N 0 1 382.464 3.270 20 10 GGCDMN C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185161346 1431074582 /nfs/dbraw/zinc/07/45/82/1431074582.db2.gz CLZHHBABROGDIH-MRXNPFEDSA-N 0 1 384.501 3.316 20 10 GGCDMN COc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])ccc1OCC(N)=O ZINC000185204855 1431084603 /nfs/dbraw/zinc/08/46/03/1431084603.db2.gz FWCOFOPBMUHKSV-CQSZACIVSA-N 0 1 380.444 3.269 20 10 GGCDMN C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc2ccccc2c1[O-] ZINC000186025996 1431313358 /nfs/dbraw/zinc/31/33/58/1431313358.db2.gz LENNNNZEVYYFCC-CYBMUJFWSA-N 0 1 398.475 3.460 20 10 GGCDMN O=C(c1cccc(O)c1O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186812494 1431524760 /nfs/dbraw/zinc/52/47/60/1431524760.db2.gz OFXMYOJXPXKDSD-UHFFFAOYSA-N 0 1 394.393 3.465 20 10 GGCDMN COc1ccc(N2CCN(Cc3ccc4c(c3)CCC(=O)N4C)CC2)cc1F ZINC000187102763 1431616222 /nfs/dbraw/zinc/61/62/22/1431616222.db2.gz TVZZCDREGSEEGN-UHFFFAOYSA-N 0 1 383.467 3.066 20 10 GGCDMN Cc1nccnc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000187791852 1431812810 /nfs/dbraw/zinc/81/28/10/1431812810.db2.gz WODFPZHLCNUTBA-CQSZACIVSA-N 0 1 380.414 3.491 20 10 GGCDMN CCOC1CC(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])(N2CCOCC2)C1 ZINC000193396793 1432990977 /nfs/dbraw/zinc/99/09/77/1432990977.db2.gz XDBGPDTWCINLHH-IMHYJWESSA-N 0 1 384.520 3.466 20 10 GGCDMN CCN(CC)c1ccc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000193406420 1432992572 /nfs/dbraw/zinc/99/25/72/1432992572.db2.gz NDMCCKWLTPZNAK-UHFFFAOYSA-N 0 1 395.551 3.392 20 10 GGCDMN COc1ccc(N2CCC[N@H+](Cc3cc(=O)oc4cc([O-])ccc34)CC2)cc1 ZINC000193767420 1433055584 /nfs/dbraw/zinc/05/55/84/1433055584.db2.gz SUTMFUJBXQPNOJ-UHFFFAOYSA-N 0 1 380.444 3.220 20 10 GGCDMN COc1ccc(N2CCC[N@@H+](Cc3cc(=O)oc4cc([O-])ccc34)CC2)cc1 ZINC000193767420 1433055586 /nfs/dbraw/zinc/05/55/86/1433055586.db2.gz SUTMFUJBXQPNOJ-UHFFFAOYSA-N 0 1 380.444 3.220 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCc4cccnc43)cc2F)CC1 ZINC000194309683 1433159118 /nfs/dbraw/zinc/15/91/18/1433159118.db2.gz PVNGECVYNLBEQG-IBGZPJMESA-N 0 1 396.510 3.099 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCC3(SC)CCC3)cc2F)CC1 ZINC000194957643 1433272282 /nfs/dbraw/zinc/27/22/82/1433272282.db2.gz VISBGUGQNNNENL-UHFFFAOYSA-N 0 1 394.560 3.053 20 10 GGCDMN CC(C)CNC(=O)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216483203 1433363854 /nfs/dbraw/zinc/36/38/54/1433363854.db2.gz QMWJHDMOIXFFJN-KRWDZBQOSA-N 0 1 383.492 3.437 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000216690788 1433364045 /nfs/dbraw/zinc/36/40/45/1433364045.db2.gz BIQIRIQQDYNYST-QGZVFWFLSA-N 0 1 393.487 3.441 20 10 GGCDMN CCOc1ccc(NC(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000243295407 1433449210 /nfs/dbraw/zinc/44/92/10/1433449210.db2.gz LFRQGLWWNWAVGQ-UHFFFAOYSA-N 0 1 383.492 3.245 20 10 GGCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])C[C@@H](C)O1 ZINC000245565137 1433485921 /nfs/dbraw/zinc/48/59/21/1433485921.db2.gz RGKRGZJOWMEEEP-IIAWOOMASA-N 0 1 383.330 3.228 20 10 GGCDMN COc1cccc(CNC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1O ZINC000266658041 1434360140 /nfs/dbraw/zinc/36/01/40/1434360140.db2.gz HIOFZOIHFBKEAZ-SFHVURJKSA-N 0 1 399.491 3.046 20 10 GGCDMN CN1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)c(C(F)(F)F)c2)CC1 ZINC000269280865 1434617028 /nfs/dbraw/zinc/61/70/28/1434617028.db2.gz FJLHRFBCNWEZGU-UHFFFAOYSA-N 0 1 392.425 3.221 20 10 GGCDMN Cc1nn(C)c(N2CCOCC2)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000271062494 1434799577 /nfs/dbraw/zinc/79/95/77/1434799577.db2.gz HJSKKARPZYJGJG-UHFFFAOYSA-N 0 1 385.556 3.042 20 10 GGCDMN CC[C@H]1C[C@H](CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000272689151 1434922982 /nfs/dbraw/zinc/92/29/82/1434922982.db2.gz CYLPINWTCMRNIG-MJGOQNOKSA-N 0 1 391.531 3.179 20 10 GGCDMN Cc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c(O)c1O ZINC000272723192 1434926129 /nfs/dbraw/zinc/92/61/29/1434926129.db2.gz FSBYWCGMRWQRHV-UHFFFAOYSA-N 0 1 378.432 3.211 20 10 GGCDMN COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000274516708 1435076112 /nfs/dbraw/zinc/07/61/12/1435076112.db2.gz XWUSTOIACONLKE-GFCCVEGCSA-N 0 1 375.396 3.137 20 10 GGCDMN CCOCc1cc(CNCc2n[nH]c(COc3ccccc3)n2)ccc1OC ZINC000274577163 1435078999 /nfs/dbraw/zinc/07/89/99/1435078999.db2.gz JXPLTLVLYBSDTA-UHFFFAOYSA-N 0 1 382.464 3.219 20 10 GGCDMN CCOCc1cc(C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)ccc1OC ZINC000274577163 1435079001 /nfs/dbraw/zinc/07/90/01/1435079001.db2.gz JXPLTLVLYBSDTA-UHFFFAOYSA-N 0 1 382.464 3.219 20 10 GGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000276779713 1435231986 /nfs/dbraw/zinc/23/19/86/1435231986.db2.gz BTCGKSQBOZNEFJ-UHFFFAOYSA-N 0 1 392.477 3.074 20 10 GGCDMN CN(C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1cccs1 ZINC000277279233 1435288873 /nfs/dbraw/zinc/28/88/73/1435288873.db2.gz ISMVMFLTJMPLTP-AWEZNQCLSA-N 0 1 393.896 3.174 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1[N+](=O)[O-] ZINC000278221132 1435370922 /nfs/dbraw/zinc/37/09/22/1435370922.db2.gz LLWZKJFYJSWODG-UHFFFAOYSA-N 0 1 380.404 3.475 20 10 GGCDMN COc1c([O-])c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1[N+](=O)[O-] ZINC000278221132 1435370925 /nfs/dbraw/zinc/37/09/25/1435370925.db2.gz LLWZKJFYJSWODG-UHFFFAOYSA-N 0 1 380.404 3.475 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227670 1435371687 /nfs/dbraw/zinc/37/16/87/1435371687.db2.gz MKUPBDXEBGWYOH-OCCSQVGLSA-N 0 1 395.456 3.044 20 10 GGCDMN COc1c([O-])c(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000278259120 1435374281 /nfs/dbraw/zinc/37/42/81/1435374281.db2.gz QEZMTBYWPAZHKQ-UHFFFAOYSA-N 0 1 376.413 3.195 20 10 GGCDMN Fc1ccc(-n2nccc2CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000279877794 1435556942 /nfs/dbraw/zinc/55/69/42/1435556942.db2.gz KCFCVSSWELPNJU-UHFFFAOYSA-N 0 1 384.430 3.277 20 10 GGCDMN COc1cc(O)c(CN[C@@H](CO)c2ccccc2OC(F)(F)F)cc1OC ZINC000280159135 1435601314 /nfs/dbraw/zinc/60/13/14/1435601314.db2.gz FDYOPKOYASRETJ-ZDUSSCGKSA-N 0 1 387.354 3.131 20 10 GGCDMN CCOc1ccc(O)c(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC000280692644 1435704893 /nfs/dbraw/zinc/70/48/93/1435704893.db2.gz OTWZGEGLJISRBS-MGPUTAFESA-N 0 1 377.506 3.363 20 10 GGCDMN CCOc1ccc(O)c(CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC000280692640 1435705055 /nfs/dbraw/zinc/70/50/55/1435705055.db2.gz OTWZGEGLJISRBS-FOIQADDNSA-N 0 1 377.506 3.363 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccc(SC)cc1)cc2=O ZINC000281247416 1435800768 /nfs/dbraw/zinc/80/07/68/1435800768.db2.gz DKAKFRPJCLHOAU-GFCCVEGCSA-N 0 1 386.477 3.184 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1ccccc1SC)cc2=O ZINC000281692718 1435818500 /nfs/dbraw/zinc/81/85/00/1435818500.db2.gz NEAGRESHJHAUDD-LBPRGKRZSA-N 0 1 386.477 3.184 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000282391042 1435845584 /nfs/dbraw/zinc/84/55/84/1435845584.db2.gz CIPWJDCUFAIYKS-KRWDZBQOSA-N 0 1 395.494 3.149 20 10 GGCDMN Cc1nc2cccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2[nH]1 ZINC000283941505 1435957350 /nfs/dbraw/zinc/95/73/50/1435957350.db2.gz KWEJAIJPYQLRDK-UHFFFAOYSA-N 0 1 378.476 3.010 20 10 GGCDMN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000284766378 1436048152 /nfs/dbraw/zinc/04/81/52/1436048152.db2.gz HHJBJDVNCLCGSA-CBLJQSSYSA-N 0 1 388.899 3.324 20 10 GGCDMN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000284777226 1436048792 /nfs/dbraw/zinc/04/87/92/1436048792.db2.gz NOGZWRNLWNNXMI-LBPRGKRZSA-N 0 1 379.453 3.378 20 10 GGCDMN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820413533 1441841733 /nfs/dbraw/zinc/84/17/33/1441841733.db2.gz RNKNXUUMMWGVBW-CVEARBPZSA-N 0 1 378.480 3.115 20 10 GGCDMN CCC[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1O ZINC000821109986 1441932438 /nfs/dbraw/zinc/93/24/38/1441932438.db2.gz VGAFFVZCPDEULI-UHFFFAOYSA-N 0 1 391.435 3.035 20 10 GGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410386 1443092187 /nfs/dbraw/zinc/09/21/87/1443092187.db2.gz FBPPQDRMWYVTNX-HOTGVXAUSA-N 0 1 378.480 3.115 20 10 GGCDMN COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1-c1nnn[n-]1 ZINC000821794961 1443166282 /nfs/dbraw/zinc/16/62/82/1443166282.db2.gz REAGCTPOBSTSSO-UHFFFAOYSA-N 0 1 391.431 3.376 20 10 GGCDMN C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821610962 1443505626 /nfs/dbraw/zinc/50/56/26/1443505626.db2.gz LTFGINIRPFNQEY-NRFANRHFSA-N 0 1 392.507 3.022 20 10 GGCDMN CCC[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1O ZINC000821110329 1447283953 /nfs/dbraw/zinc/28/39/53/1447283953.db2.gz ZWQCPRHAVLDJJJ-UHFFFAOYSA-N 0 1 391.435 3.035 20 10 GGCDMN Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826256561 1449390680 /nfs/dbraw/zinc/39/06/80/1449390680.db2.gz PKXUWWWVDTXDAD-NSHDSACASA-N 0 1 388.269 3.494 20 10 GGCDMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000820426333 945447225 /nfs/dbraw/zinc/44/72/25/945447225.db2.gz ILEAOOFFLNNDRM-CQSZACIVSA-N 0 1 398.898 3.208 20 10 GGCDMN O=C([O-])CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CCOCC1 ZINC001595055937 951498648 /nfs/dbraw/zinc/49/86/48/951498648.db2.gz MCGIYORTRSPDJM-UHFFFAOYSA-N 0 1 385.460 3.427 20 10 GGCDMN COC1CCN(c2ccc(C[N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000846270744 955703088 /nfs/dbraw/zinc/70/30/88/955703088.db2.gz MGORJXKHMCUAQJ-QFIPXVFZSA-N 0 1 380.488 3.486 20 10 GGCDMN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC000736272104 978316268 /nfs/dbraw/zinc/31/62/68/978316268.db2.gz CHLFZKAWCPPFCW-CYBMUJFWSA-N 0 1 398.887 3.189 20 10 GGCDMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC001592604853 978547524 /nfs/dbraw/zinc/54/75/24/978547524.db2.gz OWKAJCBDGUADMK-QGZVFWFLSA-N 0 1 386.467 3.385 20 10 GGCDMN C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844208698 979359687 /nfs/dbraw/zinc/35/96/87/979359687.db2.gz GBIMTUBRKLCOIL-YHWKNFMLSA-N 0 1 381.432 3.403 20 10 GGCDMN CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000902031068 980701528 /nfs/dbraw/zinc/70/15/28/980701528.db2.gz HEZAZCKEPLTUEH-UNMCSNQZSA-N 0 1 380.488 3.313 20 10 GGCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747257 982413779 /nfs/dbraw/zinc/41/37/79/982413779.db2.gz DLBHARDRBLCEOZ-INIZCTEOSA-N 0 1 384.476 3.397 20 10 GGCDMN CCN1CCN(c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3F)cc2F)CC1 ZINC001596442453 984136898 /nfs/dbraw/zinc/13/68/98/984136898.db2.gz UXSYHEAFAQBTKZ-UHFFFAOYSA-N 0 1 389.446 3.095 20 10 GGCDMN CCOCCC[N@@H+](Cc1cc(C)cc(Br)c1O)C[C@H](C)C(=O)[O-] ZINC001596915058 985938242 /nfs/dbraw/zinc/93/82/42/985938242.db2.gz QYKCHOXDVDIQJB-ZDUSSCGKSA-N 0 1 388.302 3.412 20 10 GGCDMN CCOCCC[N@H+](Cc1cc(C)cc(Br)c1O)C[C@H](C)C(=O)[O-] ZINC001596915058 985938255 /nfs/dbraw/zinc/93/82/55/985938255.db2.gz QYKCHOXDVDIQJB-ZDUSSCGKSA-N 0 1 388.302 3.412 20 10 GGCDMN CN(C)c1ccc([C@@H](CNCc2cc(C(=O)[O-])ccc2Cl)[NH+](C)C)cc1 ZINC001598313653 991290632 /nfs/dbraw/zinc/29/06/32/991290632.db2.gz TZZBEAMXMFPGLN-LJQANCHMSA-N 0 1 375.900 3.497 20 10 GGCDMN CN(C)c1ccc(C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1 ZINC001598318263 991314379 /nfs/dbraw/zinc/31/43/79/991314379.db2.gz TUYDZYSRJOUHDD-HXUWFJFHSA-N 0 1 387.911 3.350 20 10 GGCDMN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001598498726 992400201 /nfs/dbraw/zinc/40/02/01/992400201.db2.gz KYRPKXVTHFGUOY-WDZFZDKYSA-N 0 1 396.487 3.132 20 10 GGCDMN CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001598531824 992790956 /nfs/dbraw/zinc/79/09/56/992790956.db2.gz RQTADEOKDPCRKE-LAUBAEHRSA-N 0 1 386.517 3.308 20 10 GGCDMN C[C@@H](Oc1ccccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593644842 995967351 /nfs/dbraw/zinc/96/73/51/995967351.db2.gz NJQXBQANUDFKHS-QGZVFWFLSA-N 0 1 384.476 3.007 20 10 GGCDMN C[C@@H](Oc1ccccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593645189 995971468 /nfs/dbraw/zinc/97/14/68/995971468.db2.gz QDRHNOLWWJBUFB-APWZRJJASA-N 0 1 385.460 3.425 20 10 GGCDMN COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)c(F)cc2O)cc(OC)c1 ZINC001599405785 997296086 /nfs/dbraw/zinc/29/60/86/997296086.db2.gz HVOUPTIASKJHMX-UHFFFAOYSA-N 0 1 383.803 3.289 20 10 GGCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)c(F)cc2O)cc(OC)c1 ZINC001599405785 997296096 /nfs/dbraw/zinc/29/60/96/997296096.db2.gz HVOUPTIASKJHMX-UHFFFAOYSA-N 0 1 383.803 3.289 20 10 GGCDMN COc1cc(C[N@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001599406923 997327135 /nfs/dbraw/zinc/32/71/35/997327135.db2.gz OFTJOQTZMYENHR-UHFFFAOYSA-N 0 1 395.496 3.317 20 10 GGCDMN COc1cc(C[N@@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001599406923 997327146 /nfs/dbraw/zinc/32/71/46/997327146.db2.gz OFTJOQTZMYENHR-UHFFFAOYSA-N 0 1 395.496 3.317 20 10 GGCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC001599446490 998018415 /nfs/dbraw/zinc/01/84/15/998018415.db2.gz WOFQVSAHKWIINH-LBPRGKRZSA-N 0 1 378.450 3.210 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000116350660 1126076360 /nfs/dbraw/zinc/07/63/60/1126076360.db2.gz MEVRKKFCJJVIHS-OAHLLOKOSA-N 0 1 375.266 3.329 20 10 GGCDMN Cc1cc(O)c(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C ZINC000032533281 207398032 /nfs/dbraw/zinc/39/80/32/207398032.db2.gz KMMLZTPLRYMKSZ-UHFFFAOYSA-N 0 1 381.520 3.382 20 10 GGCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1C ZINC000055668423 564628769 /nfs/dbraw/zinc/62/87/69/564628769.db2.gz QGCSNISVBSVHJA-UHFFFAOYSA-N 0 1 386.470 3.005 20 10 GGCDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131038160 564699596 /nfs/dbraw/zinc/69/95/96/564699596.db2.gz AQELRGZKUSFZKO-CVJBHZAOSA-N 0 1 399.148 3.116 20 10 GGCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2F)cc1C ZINC000105387710 564966267 /nfs/dbraw/zinc/96/62/67/564966267.db2.gz UXEHNJXNVMZZTM-UHFFFAOYSA-N 0 1 386.470 3.005 20 10 GGCDMN CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Br)ccc1[O-] ZINC000155122686 565062153 /nfs/dbraw/zinc/06/21/53/565062153.db2.gz MVWJCJVAKHHUOU-KRWDZBQOSA-N 0 1 384.362 3.223 20 10 GGCDMN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113328186 565069169 /nfs/dbraw/zinc/06/91/69/565069169.db2.gz RXLOLUIXVFVBQI-UHFFFAOYSA-N 0 1 382.913 3.163 20 10 GGCDMN CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1c(O)cccc1Cl ZINC000113328848 565069305 /nfs/dbraw/zinc/06/93/05/565069305.db2.gz SLJQKTGMVFHEFU-UHFFFAOYSA-N 0 1 382.913 3.412 20 10 GGCDMN CN(C)c1ccc(CN(C(=O)CSc2n[nH]c(=S)s2)C2CC2)cc1 ZINC000267048196 565102423 /nfs/dbraw/zinc/10/24/23/565102423.db2.gz VJNTVZOENSDTIM-UHFFFAOYSA-N 0 1 380.564 3.176 20 10 GGCDMN CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Br)ccc1[O-] ZINC000156764806 565105495 /nfs/dbraw/zinc/10/54/95/565105495.db2.gz ZUWHWGUSSRJHEM-MRXNPFEDSA-N 0 1 399.329 3.223 20 10 GGCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293944365 565192033 /nfs/dbraw/zinc/19/20/33/565192033.db2.gz IGYCKGVIRHPPOZ-NSHDSACASA-N 0 1 379.092 3.264 20 10 GGCDMN CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000186850114 565290155 /nfs/dbraw/zinc/29/01/55/565290155.db2.gz HOIMDASDRGTWCR-CQSZACIVSA-N 0 1 378.332 3.410 20 10 GGCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1C ZINC000186962165 565298539 /nfs/dbraw/zinc/29/85/39/565298539.db2.gz VMQPGEMPMWHQEF-UHFFFAOYSA-N 0 1 386.470 3.005 20 10 GGCDMN C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(Br)ccc1[O-] ZINC000296247938 565308968 /nfs/dbraw/zinc/30/89/68/565308968.db2.gz BBYZPMASOKKDAQ-LKSINWNRSA-N 0 1 390.343 3.409 20 10 GGCDMN C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(Br)ccc1[O-] ZINC000273608738 565327601 /nfs/dbraw/zinc/32/76/01/565327601.db2.gz VCSZVRFVMRPCHM-CQSZACIVSA-N 0 1 383.330 3.450 20 10 GGCDMN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1F ZINC000274794184 565381729 /nfs/dbraw/zinc/38/17/29/565381729.db2.gz NBNJZESIUJKDGO-UHFFFAOYSA-N 0 1 384.860 3.014 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000376253872 565428674 /nfs/dbraw/zinc/42/86/74/565428674.db2.gz ZRADILLIEHGSGS-CYBMUJFWSA-N 0 1 381.263 3.172 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000376821580 565454976 /nfs/dbraw/zinc/45/49/76/565454976.db2.gz YNSBVOSNHJDKHA-CYBMUJFWSA-N 0 1 385.251 3.396 20 10 GGCDMN Cn1cc(-c2cncc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)cn1 ZINC000377095483 565466696 /nfs/dbraw/zinc/46/66/96/565466696.db2.gz ZGRGLKVQBPXPOS-UHFFFAOYSA-N 0 1 377.231 3.425 20 10 GGCDMN CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277439501 565496883 /nfs/dbraw/zinc/49/68/83/565496883.db2.gz MMFAVLRXIBZKCN-UHFFFAOYSA-N 0 1 384.318 3.074 20 10 GGCDMN COc1c([O-])c(C[NH2+][C@H](C)c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000279682013 565627225 /nfs/dbraw/zinc/62/72/25/565627225.db2.gz JCHUNWCVOODWGC-SECBINFHSA-N 0 1 382.214 3.317 20 10 GGCDMN CCS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(OC)c2O)s1 ZINC000280566341 565681704 /nfs/dbraw/zinc/68/17/04/565681704.db2.gz LIZRVFKYWRXBOJ-UHFFFAOYSA-N 0 1 375.899 3.199 20 10 GGCDMN O=C1C[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000179051183 565955968 /nfs/dbraw/zinc/95/59/68/565955968.db2.gz AXNHPXRZMAKELS-HNNXBMFYSA-N 0 1 389.293 3.293 20 10 GGCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1[O-] ZINC000363854004 566023382 /nfs/dbraw/zinc/02/33/82/566023382.db2.gz LMLVRBGYWAMDED-IAQYHMDHSA-N 0 1 380.286 3.072 20 10 GGCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@H]1CCOC1 ZINC000180623798 566078033 /nfs/dbraw/zinc/07/80/33/566078033.db2.gz DHILVDUBTCQAFP-SECBINFHSA-N 0 1 379.092 3.386 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000288570935 566080273 /nfs/dbraw/zinc/08/02/73/566080273.db2.gz ZQLVXDFEJWMVSA-ZDUSSCGKSA-N 0 1 393.281 3.255 20 10 GGCDMN Cc1cc(Br)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289786767 566140175 /nfs/dbraw/zinc/14/01/75/566140175.db2.gz RVTNLIRZZVBBSI-AAEUAGOBSA-N 0 1 382.220 3.456 20 10 GGCDMN C[NH+](C)CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000527764533 567373190 /nfs/dbraw/zinc/37/31/90/567373190.db2.gz QRTQWBFKLKLYMF-UHFFFAOYSA-N 0 1 392.297 3.058 20 10 GGCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n(C2CCOCC2)n1 ZINC000529393873 567512975 /nfs/dbraw/zinc/51/29/75/567512975.db2.gz WLHKDEUPRUMLMK-UHFFFAOYSA-N 0 1 384.263 3.485 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000007620721 571003248 /nfs/dbraw/zinc/00/32/48/571003248.db2.gz YYLVMSDCPCXPEB-LJQANCHMSA-N 0 1 385.533 3.242 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000007620725 571003285 /nfs/dbraw/zinc/00/32/85/571003285.db2.gz YYLVMSDCPCXPEB-IBGZPJMESA-N 0 1 385.533 3.242 20 10 GGCDMN CCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1)Cc1ccccc1O ZINC000737020856 599770151 /nfs/dbraw/zinc/77/01/51/599770151.db2.gz MMZOVKKKSCLVJD-UHFFFAOYSA-N 0 1 387.461 3.109 20 10 GGCDMN COc1ccccc1C[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000738132962 599809649 /nfs/dbraw/zinc/80/96/49/599809649.db2.gz HYOCZJUPNIPOAQ-VQHVLOKHSA-N 0 1 397.431 3.023 20 10 GGCDMN O=C([O-])c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000740160245 600148833 /nfs/dbraw/zinc/14/88/33/600148833.db2.gz HQDMKYAVDQOCBF-IBGZPJMESA-N 0 1 385.460 3.275 20 10 GGCDMN Cc1cc(C(=O)C[NH+]2CCC([C@H](C)O)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738317950 600333364 /nfs/dbraw/zinc/33/33/64/600333364.db2.gz CYZLVITXFWBVGL-INIZCTEOSA-N 0 1 384.476 3.068 20 10 GGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000740097631 600423616 /nfs/dbraw/zinc/42/36/16/600423616.db2.gz NUGICUAMEOBHQD-UHFFFAOYSA-N 0 1 382.382 3.314 20 10 GGCDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830857307 600823070 /nfs/dbraw/zinc/82/30/70/600823070.db2.gz WWMVEXYZWIPSGW-XSFOEPMVSA-N 0 1 381.432 3.403 20 10 GGCDMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830857305 600823123 /nfs/dbraw/zinc/82/31/23/600823123.db2.gz WWMVEXYZWIPSGW-IZTUGPKFSA-N 0 1 381.432 3.403 20 10 GGCDMN Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)n1 ZINC000832995830 600984688 /nfs/dbraw/zinc/98/46/88/600984688.db2.gz LTAYLCHAXXRGED-INIZCTEOSA-N 0 1 380.448 3.289 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC000825946657 601151039 /nfs/dbraw/zinc/15/10/39/601151039.db2.gz JUFWWFQTGJATDF-UHFFFAOYSA-N 0 1 381.350 3.489 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC000825946657 601151041 /nfs/dbraw/zinc/15/10/41/601151041.db2.gz JUFWWFQTGJATDF-UHFFFAOYSA-N 0 1 381.350 3.489 20 10 GGCDMN COC(=O)CC[N@@H+](Cc1ccncc1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000831155872 601560460 /nfs/dbraw/zinc/56/04/60/601560460.db2.gz UBTSQTKAYXQVSE-UHFFFAOYSA-N 0 1 394.427 3.204 20 10 GGCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000832916799 601602944 /nfs/dbraw/zinc/60/29/44/601602944.db2.gz RUQFHBIXXHNIHY-SFHVURJKSA-N 0 1 398.459 3.019 20 10 GGCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000832916799 601602945 /nfs/dbraw/zinc/60/29/45/601602945.db2.gz RUQFHBIXXHNIHY-SFHVURJKSA-N 0 1 398.459 3.019 20 10 GGCDMN C[C@@H](c1ccccc1)[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1O ZINC000827951098 601762210 /nfs/dbraw/zinc/76/22/10/601762210.db2.gz UWWWMYGIHOXTAP-KRWDZBQOSA-N 0 1 396.487 3.279 20 10 GGCDMN COc1cc(Br)cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c1O ZINC000831861276 604463749 /nfs/dbraw/zinc/46/37/49/604463749.db2.gz SLWRQIFGLKVSPR-OAHLLOKOSA-N 0 1 392.249 3.175 20 10 GGCDMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000833182999 604747582 /nfs/dbraw/zinc/74/75/82/604747582.db2.gz MPOMDGKVBRKVDR-CPUCHLNUSA-N 0 1 394.899 3.017 20 10 GGCDMN COc1cccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)c1O ZINC000833735059 604775668 /nfs/dbraw/zinc/77/56/68/604775668.db2.gz BQOXETYNUPGVIZ-HNNXBMFYSA-N 0 1 380.238 3.421 20 10 GGCDMN Cc1cc(C(=O)CN2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000833752354 605194997 /nfs/dbraw/zinc/19/49/97/605194997.db2.gz RPVHSLDKZHBGPE-GOSISDBHSA-N 0 1 397.519 3.066 20 10 GGCDMN Cc1cc(C(=O)CN2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000833753415 605195041 /nfs/dbraw/zinc/19/50/41/605195041.db2.gz UQNPXURDGVCODK-SFHVURJKSA-N 0 1 397.519 3.066 20 10 GGCDMN CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000833455208 605717794 /nfs/dbraw/zinc/71/77/94/605717794.db2.gz SWGVEUWWLKLZIT-HNNXBMFYSA-N 0 1 382.888 3.017 20 10 GGCDMN Oc1cc2c(cc1CN1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)CCCC2 ZINC000826510633 608547038 /nfs/dbraw/zinc/54/70/38/608547038.db2.gz BROJUAIQMFSNSZ-NRFANRHFSA-N 0 1 391.475 3.025 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](C)c1cccc(Cl)c1)cc2=O ZINC000053233962 1406337139 /nfs/dbraw/zinc/33/71/39/1406337139.db2.gz DFVMYSQDRCJDEC-LBPRGKRZSA-N 0 1 388.855 3.458 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000053999548 1406583890 /nfs/dbraw/zinc/58/38/90/1406583890.db2.gz XJXVIUQLDPIKTI-UHFFFAOYSA-N 0 1 388.556 3.181 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000004791596 1398403171 /nfs/dbraw/zinc/40/31/71/1398403171.db2.gz SXWRKFFJLXKREB-UHFFFAOYSA-N 0 1 386.471 3.168 20 10 GGCDMN Oc1cc2c(cc1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)OCO2 ZINC000007074845 1398593524 /nfs/dbraw/zinc/59/35/24/1398593524.db2.gz RTYRVBZDHHHVPN-UHFFFAOYSA-N 0 1 380.366 3.462 20 10 GGCDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(N(C)C)cc3)n2)cc1 ZINC000007485668 1398687710 /nfs/dbraw/zinc/68/77/10/1398687710.db2.gz FUZQSRJAOHUDDM-UHFFFAOYSA-N 0 1 381.505 3.255 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000011557382 1398993530 /nfs/dbraw/zinc/99/35/30/1398993530.db2.gz OFSRXXZBCQOVQS-UHFFFAOYSA-N 0 1 398.507 3.038 20 10 GGCDMN C[C@H](C(=O)N1CCCc2ccccc21)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386895 1399236856 /nfs/dbraw/zinc/23/68/56/1399236856.db2.gz IAGNERABNQEHHX-LJQANCHMSA-N 0 1 393.531 3.323 20 10 GGCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000023398006 1399556867 /nfs/dbraw/zinc/55/68/67/1399556867.db2.gz QGGMFTZJIXJHCS-UHFFFAOYSA-N 0 1 395.289 3.166 20 10 GGCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000023398041 1399556931 /nfs/dbraw/zinc/55/69/31/1399556931.db2.gz IPPNIKFWAXLOGU-UHFFFAOYSA-N 0 1 395.289 3.166 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000024088831 1399601559 /nfs/dbraw/zinc/60/15/59/1399601559.db2.gz WNWLSUSBJYWSQO-UHFFFAOYSA-N 0 1 393.531 3.126 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029826806 1400358733 /nfs/dbraw/zinc/35/87/33/1400358733.db2.gz FUXSAOHFDUGRJK-SFHVURJKSA-N 0 1 392.503 3.390 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N(CC(C)C)C3CC3)CC2)cc1 ZINC000045126555 1404059263 /nfs/dbraw/zinc/05/92/63/1404059263.db2.gz JPPFZAYFNHCYRZ-UHFFFAOYSA-N 0 1 388.556 3.037 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133034 1405728362 /nfs/dbraw/zinc/72/83/62/1405728362.db2.gz XPYAMZRMMVWMEU-XUZZJYLKSA-N 0 1 395.547 3.469 20 10 GGCDMN O=C(CN1CCC[C@H]1c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051180591 1405738128 /nfs/dbraw/zinc/73/81/28/1405738128.db2.gz ZJCFFILNIUUPCE-NRFANRHFSA-N 0 1 397.494 3.116 20 10 GGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000056813912 1407441540 /nfs/dbraw/zinc/44/15/40/1407441540.db2.gz DBYCCPYTBQCBFB-UHFFFAOYSA-N 0 1 387.549 3.340 20 10 GGCDMN COc1cccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N(C)C)c1 ZINC000057647844 1407676611 /nfs/dbraw/zinc/67/66/11/1407676611.db2.gz RKYAJYVHKWPAJI-HXUWFJFHSA-N 0 1 388.487 3.002 20 10 GGCDMN CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1F ZINC000057646994 1407677042 /nfs/dbraw/zinc/67/70/42/1407677042.db2.gz JOOCKNXNZFNXSN-IBGZPJMESA-N 0 1 376.451 3.133 20 10 GGCDMN Cc1cc(O)c(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)cc1C ZINC000057824702 1407729747 /nfs/dbraw/zinc/72/97/47/1407729747.db2.gz VAALUCNURZCDGW-UHFFFAOYSA-N 0 1 377.506 3.313 20 10 GGCDMN COc1ccc(N2CCN(CCCNc3cc(Cl)nc(C)n3)CC2)cc1 ZINC000060372202 1407964612 /nfs/dbraw/zinc/96/46/12/1407964612.db2.gz XOGCZPDORMIMJR-UHFFFAOYSA-N 0 1 375.904 3.071 20 10 GGCDMN CN1CCCc2cc(CNC(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)ccc21 ZINC000060473694 1407985403 /nfs/dbraw/zinc/98/54/03/1407985403.db2.gz KASYFMRVZRCLQV-UHFFFAOYSA-N 0 1 380.473 3.310 20 10 GGCDMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCc3ccccc3O)c2C1 ZINC000069935201 1409728823 /nfs/dbraw/zinc/72/88/23/1409728823.db2.gz WYUQRJJYECRFPQ-OAHLLOKOSA-N 0 1 381.476 3.007 20 10 GGCDMN O=C1c2ccccc2C(=O)N1CCN(Cc1ccco1)Cc1ccccc1O ZINC000070975740 1409809096 /nfs/dbraw/zinc/80/90/96/1409809096.db2.gz KNUFSVOKGJHHRB-UHFFFAOYSA-N 0 1 376.412 3.284 20 10 GGCDMN COc1ccccc1CN(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976443 1409809516 /nfs/dbraw/zinc/80/95/16/1409809516.db2.gz KCENYSAXNGHSPZ-HXUWFJFHSA-N 0 1 398.503 3.040 20 10 GGCDMN CN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976548 1409809708 /nfs/dbraw/zinc/80/97/08/1409809708.db2.gz BIIPUCNTIIUPJX-IBGZPJMESA-N 0 1 386.467 3.171 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000079435802 1409975524 /nfs/dbraw/zinc/97/55/24/1409975524.db2.gz NXWVVLLUNWDXRR-UHFFFAOYSA-N 0 1 376.472 3.204 20 10 GGCDMN Cc1noc(C)c1CN1CCN(Cc2cccc(Br)c2O)CC1 ZINC000091890872 1410090890 /nfs/dbraw/zinc/09/08/90/1410090890.db2.gz CHEYZOCXQJPOAE-UHFFFAOYSA-N 0 1 380.286 3.077 20 10 GGCDMN COc1cccc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1O ZINC000091949812 1410095203 /nfs/dbraw/zinc/09/52/03/1410095203.db2.gz VVCXADBVKQQORF-UHFFFAOYSA-N 0 1 375.538 3.473 20 10 GGCDMN Cc1ccc(C(=O)N2CCN(Cc3cccc(Br)c3O)CC2)s1 ZINC000092379762 1410147727 /nfs/dbraw/zinc/14/77/27/1410147727.db2.gz UWGOEGXSTBZMTN-UHFFFAOYSA-N 0 1 395.322 3.483 20 10 GGCDMN COCOc1ccc(OC)cc1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000092380803 1410148426 /nfs/dbraw/zinc/14/84/26/1410148426.db2.gz XPHHZGWOLUSWAB-UHFFFAOYSA-N 0 1 386.492 3.399 20 10 GGCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000092472054 1410159807 /nfs/dbraw/zinc/15/98/07/1410159807.db2.gz IUCJOJSJAUNHGW-KRWDZBQOSA-N 0 1 380.282 3.164 20 10 GGCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000092472054 1410159813 /nfs/dbraw/zinc/15/98/13/1410159813.db2.gz IUCJOJSJAUNHGW-KRWDZBQOSA-N 0 1 380.282 3.164 20 10 GGCDMN COc1cc(Br)cc(CN2CCCN(c3nccs3)CC2)c1O ZINC000092482386 1410160839 /nfs/dbraw/zinc/16/08/39/1410160839.db2.gz JDEZGNYCKBAVNG-UHFFFAOYSA-N 0 1 398.326 3.332 20 10 GGCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134239 1410224790 /nfs/dbraw/zinc/22/47/90/1410224790.db2.gz WEWAJENDYIBVMX-ZDUSSCGKSA-N 0 1 377.286 3.072 20 10 GGCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134240 1410225102 /nfs/dbraw/zinc/22/51/02/1410225102.db2.gz WEWAJENDYIBVMX-CYBMUJFWSA-N 0 1 377.286 3.072 20 10 GGCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093281280 1410230033 /nfs/dbraw/zinc/23/00/33/1410230033.db2.gz IPFOEMDRZSCHSF-GFCCVEGCSA-N 0 1 383.876 3.328 20 10 GGCDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(Br)c3[O-])C2)nc1 ZINC000093534486 1410252108 /nfs/dbraw/zinc/25/21/08/1410252108.db2.gz NCXKHIIVCLUICB-GFCCVEGCSA-N 0 1 393.241 3.144 20 10 GGCDMN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000098094060 1410412188 /nfs/dbraw/zinc/41/21/88/1410412188.db2.gz NVDLZFRUTDSNKD-UHFFFAOYSA-N 0 1 378.831 3.076 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000176823106 1428485928 /nfs/dbraw/zinc/48/59/28/1428485928.db2.gz HXKCMDXQLUPDFE-UHFFFAOYSA-N 0 1 385.483 3.170 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000176827893 1428489070 /nfs/dbraw/zinc/48/90/70/1428489070.db2.gz VOAPERRDDGSPKP-UHFFFAOYSA-N 0 1 381.520 3.339 20 10 GGCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000102885340 1410803980 /nfs/dbraw/zinc/80/39/80/1410803980.db2.gz RJPLOHPKAKLJRO-KRWDZBQOSA-N 0 1 396.487 3.067 20 10 GGCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000103058862 1410823545 /nfs/dbraw/zinc/82/35/45/1410823545.db2.gz GCWQRCRKSHERPU-UHFFFAOYSA-N 0 1 392.861 3.042 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000103608152 1410868578 /nfs/dbraw/zinc/86/85/78/1410868578.db2.gz XQCCDEVGFSDPAC-ACJLOTCBSA-N 0 1 375.444 3.203 20 10 GGCDMN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611757 1410868905 /nfs/dbraw/zinc/86/89/05/1410868905.db2.gz GWNBAIXCXXHXAQ-PBHICJAKSA-N 0 1 375.469 3.437 20 10 GGCDMN CCC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000104765243 1410956932 /nfs/dbraw/zinc/95/69/32/1410956932.db2.gz JDEVJGZPQOSUPT-UHFFFAOYSA-N 0 1 381.520 3.256 20 10 GGCDMN CCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000104765243 1410956944 /nfs/dbraw/zinc/95/69/44/1410956944.db2.gz JDEVJGZPQOSUPT-UHFFFAOYSA-N 0 1 381.520 3.256 20 10 GGCDMN CCN(CC)[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000104855331 1410980356 /nfs/dbraw/zinc/98/03/56/1410980356.db2.gz IRDZYMQSJUBYKW-QFIPXVFZSA-N 0 1 399.510 3.362 20 10 GGCDMN COc1ccc([C@@H](C)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000105731121 1411115250 /nfs/dbraw/zinc/11/52/50/1411115250.db2.gz ATYOQKOUJUSGMK-GOSISDBHSA-N 0 1 397.519 3.045 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccccc3F)cc2F)CC1 ZINC000106506642 1411226590 /nfs/dbraw/zinc/22/65/90/1411226590.db2.gz KPKVBSUAHJXCMZ-UHFFFAOYSA-N 0 1 388.462 3.106 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cccc(C(C)=O)c3)cc2F)CC1 ZINC000106506623 1411226825 /nfs/dbraw/zinc/22/68/25/1411226825.db2.gz FUYSJNOVHSILPR-UHFFFAOYSA-N 0 1 398.482 3.492 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3N(C)C)cc2F)CC1 ZINC000106584895 1411258669 /nfs/dbraw/zinc/25/86/69/1411258669.db2.gz CNUKZABREOIBIN-UHFFFAOYSA-N 0 1 399.514 3.355 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCc3ccc(OC)cc3)cc2F)CC1 ZINC000106701998 1411280139 /nfs/dbraw/zinc/28/01/39/1411280139.db2.gz FLSOGCXYWOVQSA-UHFFFAOYSA-N 0 1 399.510 3.225 20 10 GGCDMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000107678644 1411397968 /nfs/dbraw/zinc/39/79/68/1411397968.db2.gz UUCYOFAEXWQKLJ-UHFFFAOYSA-N 0 1 399.472 3.241 20 10 GGCDMN CN(C)[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000108765662 1411604157 /nfs/dbraw/zinc/60/41/57/1411604157.db2.gz ATJGLZHVSBXKNN-QPGLYAHGSA-N 0 1 385.533 3.017 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)c3ccccc3F)CC2)cc1 ZINC000108986979 1411655267 /nfs/dbraw/zinc/65/52/67/1411655267.db2.gz CNJSGVMIXGFYJZ-GOSISDBHSA-N 0 1 399.510 3.266 20 10 GGCDMN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2sccc2C1 ZINC000109762037 1411808398 /nfs/dbraw/zinc/80/83/98/1411808398.db2.gz KCWYWJZCPPBHNQ-GOSISDBHSA-N 0 1 386.517 3.020 20 10 GGCDMN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1O ZINC000109770102 1411809062 /nfs/dbraw/zinc/80/90/62/1411809062.db2.gz VONJOWYTNLFRCH-XSXQVXRUSA-N 0 1 385.508 3.007 20 10 GGCDMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)c1 ZINC000109773492 1411809338 /nfs/dbraw/zinc/80/93/38/1411809338.db2.gz HYTKKHGHBKVSFB-IBGZPJMESA-N 0 1 384.476 3.205 20 10 GGCDMN COc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)c(OC)c1 ZINC000109772005 1411809514 /nfs/dbraw/zinc/80/95/14/1411809514.db2.gz PMMPZLVJEHPXPV-IBGZPJMESA-N 0 1 384.476 3.205 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000110245044 1411840069 /nfs/dbraw/zinc/84/00/69/1411840069.db2.gz KGMQXDHQZIYEGR-UHFFFAOYSA-N 0 1 383.330 3.279 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000111233821 1411896996 /nfs/dbraw/zinc/89/69/96/1411896996.db2.gz MZBFOFKZFVCGSR-UHFFFAOYSA-N 0 1 391.519 3.125 20 10 GGCDMN Cc1ccc(CN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)o1 ZINC000112599340 1412177470 /nfs/dbraw/zinc/17/74/70/1412177470.db2.gz WTXXGDCITCKJCL-HXUWFJFHSA-N 0 1 398.503 3.466 20 10 GGCDMN COc1ccc([C@@H](C[NH2+]Cc2c([O-])cccc2Cl)N2CCOCC2)cc1 ZINC000113313189 1412291441 /nfs/dbraw/zinc/29/14/41/1412291441.db2.gz ANXDFZGPQIZSLG-LJQANCHMSA-N 0 1 376.884 3.217 20 10 GGCDMN Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000113319203 1412292297 /nfs/dbraw/zinc/29/22/97/1412292297.db2.gz JPDVYGRBXBABHJ-UHFFFAOYSA-N 0 1 394.924 3.297 20 10 GGCDMN COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1F ZINC000177280855 1428669081 /nfs/dbraw/zinc/66/90/81/1428669081.db2.gz SBEGCUDXTRXQCD-UHFFFAOYSA-N 0 1 386.452 3.248 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000119527142 1413475949 /nfs/dbraw/zinc/47/59/49/1413475949.db2.gz DNZYWQCKMVNKIU-IBGZPJMESA-N 0 1 381.520 3.127 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000119527272 1413476128 /nfs/dbraw/zinc/47/61/28/1413476128.db2.gz DNZYWQCKMVNKIU-LJQANCHMSA-N 0 1 381.520 3.127 20 10 GGCDMN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000120027024 1413658742 /nfs/dbraw/zinc/65/87/42/1413658742.db2.gz NDWIUYWBZGKSFY-GFCCVEGCSA-N 0 1 393.281 3.130 20 10 GGCDMN CCCN(Cc1ccccc1O)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000120551960 1413842028 /nfs/dbraw/zinc/84/20/28/1413842028.db2.gz HAABCRMZZKHLLG-UHFFFAOYSA-N 0 1 395.463 3.308 20 10 GGCDMN CCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000120551960 1413842032 /nfs/dbraw/zinc/84/20/32/1413842032.db2.gz HAABCRMZZKHLLG-UHFFFAOYSA-N 0 1 395.463 3.308 20 10 GGCDMN COc1ccc(OC)c2c1CN(Cc1cccc(Br)c1O)C[C@@H]2O ZINC000121106002 1414009400 /nfs/dbraw/zinc/00/94/00/1414009400.db2.gz KTJBMZZNKYAYTN-AWEZNQCLSA-N 0 1 394.265 3.221 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCC[C@@H]1c1ccco1)cc2=O ZINC000121263117 1414063747 /nfs/dbraw/zinc/06/37/47/1414063747.db2.gz ZVAQVVJHCUBAPJ-MRXNPFEDSA-N 0 1 384.436 3.322 20 10 GGCDMN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000121454312 1414130679 /nfs/dbraw/zinc/13/06/79/1414130679.db2.gz WFMRTAIUIDTPRE-QHCPKHFHSA-N 0 1 393.531 3.194 20 10 GGCDMN Cc1cc(C)c(O)c(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000121458064 1414132449 /nfs/dbraw/zinc/13/24/49/1414132449.db2.gz BQZLVXDAJQKBNP-UHFFFAOYSA-N 0 1 387.911 3.419 20 10 GGCDMN COc1cc(C)cc(CN2CCN(Cc3c(C)nc4cc(C)ccn43)CC2)c1O ZINC000121501189 1414152640 /nfs/dbraw/zinc/15/26/40/1414152640.db2.gz RLVUZYUXDRCERS-UHFFFAOYSA-N 0 1 394.519 3.292 20 10 GGCDMN CCN(CCCS(=O)(=O)C(C)C)Cc1cc(Br)ccc1O ZINC000121604740 1414196723 /nfs/dbraw/zinc/19/67/23/1414196723.db2.gz FODZDMLZBOATQD-UHFFFAOYSA-N 0 1 378.332 3.190 20 10 GGCDMN O=C(NCCCSc1nccs1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000177549994 1428790085 /nfs/dbraw/zinc/79/00/85/1428790085.db2.gz VFJGDHXRYDIHSK-AWEZNQCLSA-N 0 1 380.539 3.355 20 10 GGCDMN COc1ccc(N2CCN(CCC(=O)Nc3ccc(F)cc3)CC2)cc1F ZINC000121987722 1414332303 /nfs/dbraw/zinc/33/23/03/1414332303.db2.gz ZJVMOTPXQHQQHI-UHFFFAOYSA-N 0 1 375.419 3.124 20 10 GGCDMN COc1ccc(N2CCN(CCc3nc(-c4ccccc4)no3)CC2)cc1F ZINC000122014631 1414340767 /nfs/dbraw/zinc/34/07/67/1414340767.db2.gz UBFFHKHMWFZJOL-UHFFFAOYSA-N 0 1 382.439 3.249 20 10 GGCDMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000122160654 1414376979 /nfs/dbraw/zinc/37/69/79/1414376979.db2.gz VPMXKGLWSOITHW-QGZVFWFLSA-N 0 1 390.574 3.192 20 10 GGCDMN COc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1S(C)(=O)=O ZINC000122444791 1414462036 /nfs/dbraw/zinc/46/20/36/1414462036.db2.gz DKMAWUAMDKNVOE-CYBMUJFWSA-N 0 1 380.485 3.155 20 10 GGCDMN COC(=O)c1nn(CN2CCCN(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000177623340 1428813994 /nfs/dbraw/zinc/81/39/94/1428813994.db2.gz MUPQFMZHJBJTNI-UHFFFAOYSA-N 0 1 394.475 3.001 20 10 GGCDMN N#Cc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000122822693 1414573933 /nfs/dbraw/zinc/57/39/33/1414573933.db2.gz DAWGKNNNHPLBJB-LJQANCHMSA-N 0 1 378.428 3.299 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3cscc3C)CC2)cc1 ZINC000123684869 1414809240 /nfs/dbraw/zinc/80/92/40/1414809240.db2.gz RRWWFARBLVNNPM-UHFFFAOYSA-N 0 1 388.537 3.399 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(O)cc3)cc2F)CC1 ZINC000124927716 1415074435 /nfs/dbraw/zinc/07/44/35/1415074435.db2.gz QZJBQJLSWZGWTO-UXBLZVDNSA-N 0 1 383.467 3.003 20 10 GGCDMN C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc2C1 ZINC000125135164 1415116217 /nfs/dbraw/zinc/11/62/17/1415116217.db2.gz QREMATWJKRPJCM-IBGZPJMESA-N 0 1 390.531 3.309 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3sc(Cl)nc3C)cc2F)CC1 ZINC000177831497 1428867698 /nfs/dbraw/zinc/86/76/98/1428867698.db2.gz RBQNDIHQMPGNKC-UHFFFAOYSA-N 0 1 396.919 3.316 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178069945 1428968539 /nfs/dbraw/zinc/96/85/39/1428968539.db2.gz FGVVQNRGDXWURQ-HXUWFJFHSA-N 0 1 381.520 3.197 20 10 GGCDMN Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000127219496 1415691283 /nfs/dbraw/zinc/69/12/83/1415691283.db2.gz OXMDSWAROFQXGV-KRWDZBQOSA-N 0 1 385.483 3.430 20 10 GGCDMN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000127219496 1415691294 /nfs/dbraw/zinc/69/12/94/1415691294.db2.gz OXMDSWAROFQXGV-KRWDZBQOSA-N 0 1 385.483 3.430 20 10 GGCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178091167 1428977971 /nfs/dbraw/zinc/97/79/71/1428977971.db2.gz DLGUKGVEPOPKJN-HXUWFJFHSA-N 0 1 381.520 3.197 20 10 GGCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178091153 1428978198 /nfs/dbraw/zinc/97/81/98/1428978198.db2.gz DLGUKGVEPOPKJN-FQEVSTJZSA-N 0 1 381.520 3.197 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)nc3C)cc2F)CC1 ZINC000127273900 1415712990 /nfs/dbraw/zinc/71/29/90/1415712990.db2.gz ODGPLDDBVDCOJR-UHFFFAOYSA-N 0 1 390.890 3.254 20 10 GGCDMN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129928113 1416286541 /nfs/dbraw/zinc/28/65/41/1416286541.db2.gz ZUQWXVPRBRGLDN-IBGZPJMESA-N 0 1 375.538 3.244 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CC3CCC(OC)CC3)cc2F)CC1 ZINC000131329241 1416540841 /nfs/dbraw/zinc/54/08/41/1416540841.db2.gz CAHFCSHCWNEAQU-UHFFFAOYSA-N 0 1 391.531 3.179 20 10 GGCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000133622970 1416923849 /nfs/dbraw/zinc/92/38/49/1416923849.db2.gz GYMLJDVCZCOEGJ-OAQYLSRUSA-N 0 1 381.524 3.038 20 10 GGCDMN O=C(CCC1CCOCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262105 1417045762 /nfs/dbraw/zinc/04/57/62/1417045762.db2.gz HAZLJMPAZLPHQE-GOSISDBHSA-N 0 1 380.916 3.333 20 10 GGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1Cl ZINC000134263987 1417046520 /nfs/dbraw/zinc/04/65/20/1417046520.db2.gz SVFVPGVPESHUDW-CQSZACIVSA-N 0 1 380.275 3.488 20 10 GGCDMN CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134265686 1417046863 /nfs/dbraw/zinc/04/68/63/1417046863.db2.gz NBYWECXPLMBFTD-INIZCTEOSA-N 0 1 390.915 3.297 20 10 GGCDMN CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134265665 1417047032 /nfs/dbraw/zinc/04/70/32/1417047032.db2.gz NBYWECXPLMBFTD-MRXNPFEDSA-N 0 1 390.915 3.297 20 10 GGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000136966526 1417358213 /nfs/dbraw/zinc/35/82/13/1417358213.db2.gz ZOMHSBAQEATPIV-AWEZNQCLSA-N 0 1 383.673 3.467 20 10 GGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000136966526 1417358220 /nfs/dbraw/zinc/35/82/20/1417358220.db2.gz ZOMHSBAQEATPIV-AWEZNQCLSA-N 0 1 383.673 3.467 20 10 GGCDMN Cc1cc(C(=O)CN2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178826939 1429185384 /nfs/dbraw/zinc/18/53/84/1429185384.db2.gz LYYVKFPQTNXTQO-OAQYLSRUSA-N 0 1 395.547 3.239 20 10 GGCDMN Cc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1 ZINC000139817846 1417476090 /nfs/dbraw/zinc/47/60/90/1417476090.db2.gz RBTBVTODFJQPLS-UHFFFAOYSA-N 0 1 381.455 3.134 20 10 GGCDMN COc1cccc([C@@H](CNC(=O)NCCCSc2nccs2)N(C)C)c1 ZINC000151702089 1418066269 /nfs/dbraw/zinc/06/62/69/1418066269.db2.gz BZDVBKKIUXHPSM-MRXNPFEDSA-N 0 1 394.566 3.236 20 10 GGCDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000152072254 1418138047 /nfs/dbraw/zinc/13/80/47/1418138047.db2.gz JISLGAAOWMEUAL-MRXNPFEDSA-N 0 1 399.514 3.312 20 10 GGCDMN Cc1cc2ncc([C@@H](C)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)n2n1 ZINC000179405569 1429361707 /nfs/dbraw/zinc/36/17/07/1429361707.db2.gz DAXHZMHOJJZRTD-OAHLLOKOSA-N 0 1 397.498 3.297 20 10 GGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000179457598 1429382950 /nfs/dbraw/zinc/38/29/50/1429382950.db2.gz LTVLEWSBQALJHA-QHCPKHFHSA-N 0 1 395.547 3.299 20 10 GGCDMN CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000179642757 1429486200 /nfs/dbraw/zinc/48/62/00/1429486200.db2.gz RTLRWIPRAMQNJH-QGZVFWFLSA-N 0 1 396.576 3.251 20 10 GGCDMN C[C@H](c1ccccc1)N(CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1O ZINC000179646475 1429487652 /nfs/dbraw/zinc/48/76/52/1429487652.db2.gz WKSXXZZXMBDPPN-GOSISDBHSA-N 0 1 392.503 3.348 20 10 GGCDMN Cc1ccc(-c2noc(CN3CCN(Cc4cccc(C)c4O)CC3)n2)cc1 ZINC000179657778 1429494250 /nfs/dbraw/zinc/49/42/50/1429494250.db2.gz BSZUOSHESFTPGV-UHFFFAOYSA-N 0 1 378.476 3.377 20 10 GGCDMN COc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3O)CC2)cc1OC ZINC000179663239 1429496970 /nfs/dbraw/zinc/49/69/70/1429496970.db2.gz LTFHDFABMQSRAC-UHFFFAOYSA-N 0 1 390.867 3.021 20 10 GGCDMN CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825417414 1429527058 /nfs/dbraw/zinc/52/70/58/1429527058.db2.gz RFNRENDFKXUWMC-OAQYLSRUSA-N 0 1 392.507 3.286 20 10 GGCDMN CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825417414 1429527061 /nfs/dbraw/zinc/52/70/61/1429527061.db2.gz RFNRENDFKXUWMC-OAQYLSRUSA-N 0 1 392.507 3.286 20 10 GGCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1N1CCOCC1 ZINC000179762032 1429545889 /nfs/dbraw/zinc/54/58/89/1429545889.db2.gz OXDQQZUCARQBKF-UHFFFAOYSA-N 0 1 391.855 3.422 20 10 GGCDMN CN(C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1 ZINC000152940288 1422303167 /nfs/dbraw/zinc/30/31/67/1422303167.db2.gz IMFPVUCRHMYWPC-NRFANRHFSA-N 0 1 382.483 3.304 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2F)CC1 ZINC000153144744 1422370838 /nfs/dbraw/zinc/37/08/38/1422370838.db2.gz GLXYKSVLUJSHQP-UHFFFAOYSA-N 0 1 399.514 3.209 20 10 GGCDMN CCOc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000153317785 1422466516 /nfs/dbraw/zinc/46/65/16/1422466516.db2.gz KLKGPPPHJQQAOG-GOSISDBHSA-N 0 1 397.519 3.381 20 10 GGCDMN C[C@H](C(=O)Nc1cccnc1Cl)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153331589 1422474845 /nfs/dbraw/zinc/47/48/45/1422474845.db2.gz PLPJPGULHPIUMS-OAHLLOKOSA-N 0 1 388.899 3.031 20 10 GGCDMN CCc1onc(C)c1NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000154214816 1422856565 /nfs/dbraw/zinc/85/65/65/1422856565.db2.gz PPXFMGZNCBVHPS-UHFFFAOYSA-N 0 1 389.475 3.148 20 10 GGCDMN CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000154829554 1423048017 /nfs/dbraw/zinc/04/80/17/1423048017.db2.gz FLXHEMNMYSRJTN-UHFFFAOYSA-N 0 1 393.827 3.423 20 10 GGCDMN CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000154829554 1423048029 /nfs/dbraw/zinc/04/80/29/1423048029.db2.gz FLXHEMNMYSRJTN-UHFFFAOYSA-N 0 1 393.827 3.423 20 10 GGCDMN CC(C)(C)OC(=O)NC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154864786 1423059488 /nfs/dbraw/zinc/05/94/88/1423059488.db2.gz XILCQFXZKAVCOT-UHFFFAOYSA-N 0 1 393.503 3.151 20 10 GGCDMN COc1ccc([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000155187302 1423226625 /nfs/dbraw/zinc/22/66/25/1423226625.db2.gz BFUMKXAKIMSLAP-FQEVSTJZSA-N 0 1 381.520 3.209 20 10 GGCDMN COc1ccc([C@H]2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000155187302 1423226643 /nfs/dbraw/zinc/22/66/43/1423226643.db2.gz BFUMKXAKIMSLAP-FQEVSTJZSA-N 0 1 381.520 3.209 20 10 GGCDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(N(C)C)c(F)c3)n2)cc1 ZINC000155961531 1423611151 /nfs/dbraw/zinc/61/11/51/1423611151.db2.gz FOTFPRAMYZJKCD-UHFFFAOYSA-N 0 1 399.495 3.394 20 10 GGCDMN O=C(Cc1ccccc1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000179979974 1429673146 /nfs/dbraw/zinc/67/31/46/1429673146.db2.gz ZEAMCOXKORBYQU-UHFFFAOYSA-N 0 1 389.293 3.042 20 10 GGCDMN COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826209040 1423900921 /nfs/dbraw/zinc/90/09/21/1423900921.db2.gz KDMLTIOASIJCDW-CQSZACIVSA-N 0 1 396.470 3.334 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccc(C)c3F)CC2)cc1 ZINC000159690490 1424524229 /nfs/dbraw/zinc/52/42/29/1424524229.db2.gz NATNCTIXJQYDBO-UHFFFAOYSA-N 0 1 385.483 3.085 20 10 GGCDMN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161939818 1424800916 /nfs/dbraw/zinc/80/09/16/1424800916.db2.gz VXIQNOXRYKJEHF-GOSISDBHSA-N 0 1 399.510 3.362 20 10 GGCDMN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161939732 1424801012 /nfs/dbraw/zinc/80/10/12/1424801012.db2.gz VXIQNOXRYKJEHF-SFHVURJKSA-N 0 1 399.510 3.362 20 10 GGCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163172422 1424953607 /nfs/dbraw/zinc/95/36/07/1424953607.db2.gz NBEXUBZLOXKAED-KRWDZBQOSA-N 0 1 382.512 3.146 20 10 GGCDMN O=C(NCCCSc1nccs1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163262419 1424968515 /nfs/dbraw/zinc/96/85/15/1424968515.db2.gz OLDDBBLLBJQQPT-CYBMUJFWSA-N 0 1 392.554 3.210 20 10 GGCDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000163704486 1425036355 /nfs/dbraw/zinc/03/63/55/1425036355.db2.gz WIEYAYDJDDEEDE-KRWDZBQOSA-N 0 1 381.524 3.172 20 10 GGCDMN Cc1cc(C)c(O)c(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000164228510 1425089973 /nfs/dbraw/zinc/08/99/73/1425089973.db2.gz AKLGBEIOPACQSJ-UHFFFAOYSA-N 0 1 377.506 3.313 20 10 GGCDMN COc1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821795447 1425387309 /nfs/dbraw/zinc/38/73/09/1425387309.db2.gz ZYDXIEHXZDTOAZ-UHFFFAOYSA-N 0 1 392.507 3.498 20 10 GGCDMN COc1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821795447 1425387314 /nfs/dbraw/zinc/38/73/14/1425387314.db2.gz ZYDXIEHXZDTOAZ-UHFFFAOYSA-N 0 1 392.507 3.498 20 10 GGCDMN COc1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821795447 1425387319 /nfs/dbraw/zinc/38/73/19/1425387319.db2.gz ZYDXIEHXZDTOAZ-UHFFFAOYSA-N 0 1 392.507 3.498 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000171720479 1425802755 /nfs/dbraw/zinc/80/27/55/1425802755.db2.gz UHEUDVUBIIELSM-INIZCTEOSA-N 0 1 398.507 3.344 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)c3ccc(F)cc3)cc2F)CC1 ZINC000171751328 1425810887 /nfs/dbraw/zinc/81/08/87/1425810887.db2.gz BXOAAODBVMJJKE-UHFFFAOYSA-N 0 1 388.462 3.453 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000172193784 1425940956 /nfs/dbraw/zinc/94/09/56/1425940956.db2.gz ORYIYZFBTZKWIG-UHFFFAOYSA-N 0 1 381.520 3.329 20 10 GGCDMN Oc1ccc2ccncc2c1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826511324 1425945417 /nfs/dbraw/zinc/94/54/17/1425945417.db2.gz LEICRWYKAVFZGM-UHFFFAOYSA-N 0 1 384.443 3.410 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc4cc[nH]c43)cc2F)CC1 ZINC000173114317 1426349733 /nfs/dbraw/zinc/34/97/33/1426349733.db2.gz MJNZOYMHNRSSDM-UHFFFAOYSA-N 0 1 380.467 3.379 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000173482134 1426655819 /nfs/dbraw/zinc/65/58/19/1426655819.db2.gz QIOFYNFAIYPJOO-HXUWFJFHSA-N 0 1 392.565 3.000 20 10 GGCDMN COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826193946 1426875544 /nfs/dbraw/zinc/87/55/44/1426875544.db2.gz VOHQHGUWKYIKBM-UHFFFAOYSA-N 0 1 380.496 3.352 20 10 GGCDMN COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826193946 1426875579 /nfs/dbraw/zinc/87/55/79/1426875579.db2.gz VOHQHGUWKYIKBM-UHFFFAOYSA-N 0 1 380.496 3.352 20 10 GGCDMN COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826193946 1426875598 /nfs/dbraw/zinc/87/55/98/1426875598.db2.gz VOHQHGUWKYIKBM-UHFFFAOYSA-N 0 1 380.496 3.352 20 10 GGCDMN CC[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1cc(Br)ccc1[O-] ZINC000173992830 1426930500 /nfs/dbraw/zinc/93/05/00/1426930500.db2.gz ALUCNHYUJHZJKR-UHFFFAOYSA-N 0 1 388.265 3.185 20 10 GGCDMN CC[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1cc(Br)ccc1[O-] ZINC000173992830 1426930506 /nfs/dbraw/zinc/93/05/06/1426930506.db2.gz ALUCNHYUJHZJKR-UHFFFAOYSA-N 0 1 388.265 3.185 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000174424568 1427150984 /nfs/dbraw/zinc/15/09/84/1427150984.db2.gz YZMROCNJKYXUAC-NSHDSACASA-N 0 1 382.258 3.300 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000174426279 1427151509 /nfs/dbraw/zinc/15/15/09/1427151509.db2.gz UUKSUCSMPVUFRC-VIFPVBQESA-N 0 1 383.208 3.044 20 10 GGCDMN O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000174523293 1427202080 /nfs/dbraw/zinc/20/20/80/1427202080.db2.gz WQTGDQWURRTFQQ-UHFFFAOYSA-N 0 1 391.265 3.060 20 10 GGCDMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000826168408 1427252323 /nfs/dbraw/zinc/25/23/23/1427252323.db2.gz LTRJETSDWNVABU-UHFFFAOYSA-N 0 1 378.480 3.106 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N([C@@H](C)C3CC3)C3CC3)cc2F)CC1 ZINC000174786361 1427366760 /nfs/dbraw/zinc/36/67/60/1427366760.db2.gz YULORNZFEREHKM-INIZCTEOSA-N 0 1 388.531 3.440 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccccc3O)CC2)c1O ZINC000175566789 1427817526 /nfs/dbraw/zinc/81/75/26/1427817526.db2.gz LAFBXTAGBZJPKK-UHFFFAOYSA-N 0 1 386.423 3.290 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000175696666 1427861685 /nfs/dbraw/zinc/86/16/85/1427861685.db2.gz MWQOOJLXDHOAAB-UHFFFAOYSA-N 0 1 385.483 3.268 20 10 GGCDMN CCN(C[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1)CC(F)(F)F ZINC000175810658 1427903076 /nfs/dbraw/zinc/90/30/76/1427903076.db2.gz UOWCEEOLFMPCBC-CYBMUJFWSA-N 0 1 376.394 3.440 20 10 GGCDMN CCN(C[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1)CC(F)(F)F ZINC000175810658 1427903086 /nfs/dbraw/zinc/90/30/86/1427903086.db2.gz UOWCEEOLFMPCBC-CYBMUJFWSA-N 0 1 376.394 3.440 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccc4[nH]ccc43)CC2)cc1 ZINC000175950638 1427992323 /nfs/dbraw/zinc/99/23/23/1427992323.db2.gz BOHNTTMXJIXHET-UHFFFAOYSA-N 0 1 392.503 3.119 20 10 GGCDMN Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccccn1 ZINC000176138352 1428112455 /nfs/dbraw/zinc/11/24/55/1428112455.db2.gz PZMSZZLWFGSFSQ-UHFFFAOYSA-N 0 1 377.423 3.477 20 10 GGCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2)C[C@H](C)O1 ZINC000180645786 1429952908 /nfs/dbraw/zinc/95/29/08/1429952908.db2.gz GGCYCLGDDDXLTR-CJVCEKSSSA-N 0 1 396.487 3.037 20 10 GGCDMN CCOc1cccc([C@H](C)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000180681898 1429973417 /nfs/dbraw/zinc/97/34/17/1429973417.db2.gz QGVLLHWVFJBOOL-SFHVURJKSA-N 0 1 397.519 3.093 20 10 GGCDMN COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCCCC1 ZINC000180954433 1430133583 /nfs/dbraw/zinc/13/35/83/1430133583.db2.gz WLTJBDRHNNODHA-FMAYLGMYSA-N 0 1 396.487 3.463 20 10 GGCDMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189243 1430242898 /nfs/dbraw/zinc/24/28/98/1430242898.db2.gz QLEYRYHAXUABHH-QFBILLFUSA-N 0 1 399.514 3.314 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1cc3ccccc3o1)cc2=O ZINC000182623542 1430504370 /nfs/dbraw/zinc/50/43/70/1430504370.db2.gz DIFDIBATGXLWNI-LBPRGKRZSA-N 0 1 380.404 3.209 20 10 GGCDMN CCCN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000182952942 1430579647 /nfs/dbraw/zinc/57/96/47/1430579647.db2.gz FUVGKGHCONSDRP-LJQANCHMSA-N 0 1 389.517 3.370 20 10 GGCDMN COc1cc(N2CCN(CCOc3ccccc3C)CC2)cc(OC)c1OC ZINC000183698714 1430775818 /nfs/dbraw/zinc/77/58/18/1430775818.db2.gz ZZTOZJCEVOTRTL-UHFFFAOYSA-N 0 1 386.492 3.222 20 10 GGCDMN COc1cc(N2CCN(CCOc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000183700737 1430776749 /nfs/dbraw/zinc/77/67/49/1430776749.db2.gz WNMCBLDDJDIPJW-UHFFFAOYSA-N 0 1 386.492 3.222 20 10 GGCDMN COc1cc(N2CCN(CCOc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000183707115 1430778243 /nfs/dbraw/zinc/77/82/43/1430778243.db2.gz PECXBBQOSFWLCH-UHFFFAOYSA-N 0 1 390.455 3.053 20 10 GGCDMN COc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])ccc1OCC(N)=O ZINC000185204838 1431084692 /nfs/dbraw/zinc/08/46/92/1431084692.db2.gz FWCOFOPBMUHKSV-AWEZNQCLSA-N 0 1 380.444 3.269 20 10 GGCDMN CCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185888362 1431264210 /nfs/dbraw/zinc/26/42/10/1431264210.db2.gz XSIDNALRHPCPHX-UHFFFAOYSA-N 0 1 395.463 3.211 20 10 GGCDMN C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1[O-] ZINC000186158854 1431343952 /nfs/dbraw/zinc/34/39/52/1431343952.db2.gz YCORCPVASUSHOM-DZGCQCFKSA-N 0 1 391.514 3.092 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCCCCCSC)cc2F)CC1 ZINC000186182996 1431348288 /nfs/dbraw/zinc/34/82/88/1431348288.db2.gz WZHYYBPRZCTMMH-UHFFFAOYSA-N 0 1 396.576 3.300 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(c3ccsc3)CC1)cc2=O ZINC000186928086 1431568630 /nfs/dbraw/zinc/56/86/30/1431568630.db2.gz OMIFJCGQPXSESG-UHFFFAOYSA-N 0 1 386.477 3.053 20 10 GGCDMN C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1[O-] ZINC000187870217 1431822255 /nfs/dbraw/zinc/82/22/55/1431822255.db2.gz KDDXGPBAKMSQMA-SJKOYZFVSA-N 0 1 375.419 3.293 20 10 GGCDMN C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1[O-] ZINC000187870190 1431822282 /nfs/dbraw/zinc/82/22/82/1431822282.db2.gz KDDXGPBAKMSQMA-YVEFUNNKSA-N 0 1 375.419 3.293 20 10 GGCDMN CSc1nn(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)c(=O)[nH]1 ZINC000188151702 1431853596 /nfs/dbraw/zinc/85/35/96/1431853596.db2.gz MNAQEJAWWPSDSU-UHFFFAOYSA-N 0 1 388.518 3.306 20 10 GGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000189416923 1432103819 /nfs/dbraw/zinc/10/38/19/1432103819.db2.gz FKJBNFVHDFZBPS-UHFFFAOYSA-N 0 1 391.424 3.225 20 10 GGCDMN CC(C)(C)n1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000191228974 1432597376 /nfs/dbraw/zinc/59/73/76/1432597376.db2.gz XLEPKCCVUGYWRV-AWEZNQCLSA-N 0 1 379.455 3.393 20 10 GGCDMN CN(C)c1ccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191686090 1432705895 /nfs/dbraw/zinc/70/58/95/1432705895.db2.gz QVBPMMPJKFRFAV-UHFFFAOYSA-N 0 1 385.459 3.335 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCS[C@@H](C)CC3)cc2F)CC1 ZINC000192427487 1432843989 /nfs/dbraw/zinc/84/39/89/1432843989.db2.gz GYBOKMMFNVKYSZ-INIZCTEOSA-N 0 1 394.560 3.005 20 10 GGCDMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000194067879 1433111197 /nfs/dbraw/zinc/11/11/97/1433111197.db2.gz UYHZSDRSMZVHPI-KRWDZBQOSA-N 0 1 399.457 3.242 20 10 GGCDMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000194323247 1433161261 /nfs/dbraw/zinc/16/12/61/1433161261.db2.gz ZMOXHZCTEXRFDI-INIZCTEOSA-N 0 1 398.381 3.217 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3)SC2=S)CC1 ZINC000194754255 1433225242 /nfs/dbraw/zinc/22/52/42/1433225242.db2.gz JCDDMDJIDQDWLX-WOJGMQOQSA-N 0 1 398.557 3.227 20 10 GGCDMN Cc1cc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000195571499 1433340060 /nfs/dbraw/zinc/34/00/60/1433340060.db2.gz AAXCFWNFLUBJAJ-HSZRJFAPSA-N 0 1 396.579 3.404 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000198104586 1433347380 /nfs/dbraw/zinc/34/73/80/1433347380.db2.gz VQURFUVQGFTKSR-UHFFFAOYSA-N 0 1 381.520 3.050 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246576981 1433633690 /nfs/dbraw/zinc/63/36/90/1433633690.db2.gz LRWKRPSMQVANEH-FCHUYYIVSA-N 0 1 399.510 3.096 20 10 GGCDMN CCN(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000264027601 1434063786 /nfs/dbraw/zinc/06/37/86/1434063786.db2.gz LPKYVAHLQRGAAU-JOCHJYFZSA-N 0 1 399.510 3.096 20 10 GGCDMN CCOCc1cc(CNCc2ccnc(OC3CCOCC3)c2)ccc1OC ZINC000264967391 1434168932 /nfs/dbraw/zinc/16/89/32/1434168932.db2.gz QDAROEUVVBVAQJ-UHFFFAOYSA-N 0 1 386.492 3.474 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265475874 1434237727 /nfs/dbraw/zinc/23/77/27/1434237727.db2.gz ZVPXSHPOFQIMDU-UHFFFAOYSA-N 0 1 376.460 3.186 20 10 GGCDMN C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268803456 1434559086 /nfs/dbraw/zinc/55/90/86/1434559086.db2.gz GWZFJSDSUNMFPN-MRXNPFEDSA-N 0 1 397.494 3.405 20 10 GGCDMN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NC[C@H]2CN(C)CCN2C)cc1 ZINC000269385710 1434635703 /nfs/dbraw/zinc/63/57/03/1434635703.db2.gz AAHYXXDWHPOHHD-ZFZZVZNFSA-N 0 1 394.523 3.144 20 10 GGCDMN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000269385709 1434635711 /nfs/dbraw/zinc/63/57/11/1434635711.db2.gz AAHYXXDWHPOHHD-WWDJGNSZSA-N 0 1 394.523 3.144 20 10 GGCDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(OC)c(OC)cc1O ZINC000271787419 1434850651 /nfs/dbraw/zinc/85/06/51/1434850651.db2.gz IGXTYVYKWCIFSN-UHFFFAOYSA-N 0 1 388.464 3.269 20 10 GGCDMN CC[C@H]1C[C@@H](CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000272689147 1434922838 /nfs/dbraw/zinc/92/28/38/1434922838.db2.gz CYLPINWTCMRNIG-HKUYNNGSSA-N 0 1 391.531 3.179 20 10 GGCDMN COc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ccc1OCC(=O)N(C)C ZINC000273430115 1434988222 /nfs/dbraw/zinc/98/82/22/1434988222.db2.gz VHRAQQUSGZLXEW-ZDUSSCGKSA-N 0 1 392.883 3.372 20 10 GGCDMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1 ZINC000277655273 1435319612 /nfs/dbraw/zinc/31/96/12/1435319612.db2.gz MIZMNHDKBNAKFY-UHFFFAOYSA-N 0 1 378.450 3.329 20 10 GGCDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278143484 1435363832 /nfs/dbraw/zinc/36/38/32/1435363832.db2.gz BFAXCCSHEHJKOI-INIZCTEOSA-N 0 1 388.420 3.196 20 10 GGCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278143484 1435363835 /nfs/dbraw/zinc/36/38/35/1435363835.db2.gz BFAXCCSHEHJKOI-INIZCTEOSA-N 0 1 388.420 3.196 20 10 GGCDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1)CC(F)(F)F ZINC000278223537 1435371256 /nfs/dbraw/zinc/37/12/56/1435371256.db2.gz LXQRXOYOYWJSQM-LBPRGKRZSA-N 0 1 391.390 3.015 20 10 GGCDMN CN(C)c1ccc(CNCc2ccc(S(C)(=O)=O)cc2)c(C(F)(F)F)c1 ZINC000279932666 1435565554 /nfs/dbraw/zinc/56/55/54/1435565554.db2.gz NDTSTFQPHDTIJR-UHFFFAOYSA-N 0 1 386.439 3.465 20 10 GGCDMN Cc1ccccc1-n1nccc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O ZINC000280879896 1435735198 /nfs/dbraw/zinc/73/51/98/1435735198.db2.gz DJHNNQTYBRAOHI-QGOAFFKASA-N 0 1 398.557 3.476 20 10 GGCDMN COc1cc(O)c(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1OC ZINC000826181227 1441430147 /nfs/dbraw/zinc/43/01/47/1441430147.db2.gz QFXMEDJKOSETDM-UHFFFAOYSA-N 0 1 383.452 3.000 20 10 GGCDMN Cc1cc(O)c(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC000826272110 1441687787 /nfs/dbraw/zinc/68/77/87/1441687787.db2.gz UUCBQUJVOVRNEO-UHFFFAOYSA-N 0 1 394.479 3.064 20 10 GGCDMN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Br)ccc1O ZINC000821222476 1443371232 /nfs/dbraw/zinc/37/12/32/1443371232.db2.gz UPYLSOINYGLOMQ-UHFFFAOYSA-N 0 1 388.269 3.357 20 10 GGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410388 1443668709 /nfs/dbraw/zinc/66/87/09/1443668709.db2.gz FBPPQDRMWYVTNX-HZPDHXFCSA-N 0 1 378.480 3.115 20 10 GGCDMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000826181733 1446106411 /nfs/dbraw/zinc/10/64/11/1446106411.db2.gz LVWZSNQOTXRPRK-UHFFFAOYSA-N 0 1 392.507 3.498 20 10 GGCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821110210 1446313916 /nfs/dbraw/zinc/31/39/16/1446313916.db2.gz YDODRLXCCWGIKN-CYBMUJFWSA-N 0 1 398.467 3.021 20 10 GGCDMN Oc1ccccc1C[N@H+](CCOc1ccccc1-c1nnn[n-]1)Cc1ccco1 ZINC000738400150 1446384273 /nfs/dbraw/zinc/38/42/73/1446384273.db2.gz DQFQCRQOHMYRRO-UHFFFAOYSA-N 0 1 391.431 3.247 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1ccccc1-c1nnn[n-]1)Cc1ccco1 ZINC000738400150 1446384276 /nfs/dbraw/zinc/38/42/76/1446384276.db2.gz DQFQCRQOHMYRRO-UHFFFAOYSA-N 0 1 391.431 3.247 20 10 GGCDMN C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824619759 1446610634 /nfs/dbraw/zinc/61/06/34/1446610634.db2.gz ZVQQACAWHVMUOI-OAHLLOKOSA-N 0 1 380.521 3.271 20 10 GGCDMN CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Br)ccc1O ZINC000821221000 1450501712 /nfs/dbraw/zinc/50/17/12/1450501712.db2.gz HJNQVTDSPHJDNE-UHFFFAOYSA-N 0 1 388.269 3.357 20 10 GGCDMN COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3c(C(=O)[O-])cnn3C)c2C)cc1 ZINC001594074878 958207440 /nfs/dbraw/zinc/20/74/40/958207440.db2.gz ZJRPQUBZWYPKOP-UHFFFAOYSA-N 0 1 382.464 3.166 20 10 GGCDMN COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3c(C(=O)[O-])cnn3C)c2C)cc1 ZINC001594074878 958207455 /nfs/dbraw/zinc/20/74/55/958207455.db2.gz ZJRPQUBZWYPKOP-UHFFFAOYSA-N 0 1 382.464 3.166 20 10 GGCDMN COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3cc(C(=O)[O-])nn3C)c2C)cc1 ZINC001594074855 958207480 /nfs/dbraw/zinc/20/74/80/958207480.db2.gz XRCCQBUGFXOQNO-UHFFFAOYSA-N 0 1 382.464 3.166 20 10 GGCDMN COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3cc(C(=O)[O-])nn3C)c2C)cc1 ZINC001594074855 958207485 /nfs/dbraw/zinc/20/74/85/958207485.db2.gz XRCCQBUGFXOQNO-UHFFFAOYSA-N 0 1 382.464 3.166 20 10 GGCDMN O=C([O-])[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892874 972696756 /nfs/dbraw/zinc/69/67/56/972696756.db2.gz JQEGIZQGNKZUEH-SJLPKXTDSA-N 0 1 394.899 3.017 20 10 GGCDMN O=C([O-])[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892872 972696882 /nfs/dbraw/zinc/69/68/82/972696882.db2.gz JQEGIZQGNKZUEH-AEFFLSMTSA-N 0 1 394.899 3.017 20 10 GGCDMN C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844208697 979359957 /nfs/dbraw/zinc/35/99/57/979359957.db2.gz GBIMTUBRKLCOIL-XAVKZTDYSA-N 0 1 381.432 3.403 20 10 GGCDMN C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844208695 979360007 /nfs/dbraw/zinc/36/00/07/979360007.db2.gz GBIMTUBRKLCOIL-DZZUKKPASA-N 0 1 381.432 3.403 20 10 GGCDMN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccc(Br)cc1 ZINC000901896675 980608340 /nfs/dbraw/zinc/60/83/40/980608340.db2.gz GGVOBWRSQBZAHJ-JKSUJKDBSA-N 0 1 376.250 3.455 20 10 GGCDMN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910344022 981881345 /nfs/dbraw/zinc/88/13/45/981881345.db2.gz NLWIZQXOHGIBJZ-XSFOEPMVSA-N 0 1 381.432 3.403 20 10 GGCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC001595756007 982452787 /nfs/dbraw/zinc/45/27/87/982452787.db2.gz OGUDPDLCBJKOKH-INIZCTEOSA-N 0 1 384.476 3.372 20 10 GGCDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596364769 983852329 /nfs/dbraw/zinc/85/23/29/983852329.db2.gz DCZSTIMBKAQBIJ-UHFFFAOYSA-N 0 1 387.436 3.146 20 10 GGCDMN C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501853 992444842 /nfs/dbraw/zinc/44/48/42/992444842.db2.gz NMCCBBNQOZKGRB-QIBOZCLASA-N 0 1 395.459 3.446 20 10 GGCDMN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598524836 992706831 /nfs/dbraw/zinc/70/68/31/992706831.db2.gz KMSNJKOLWYGPMX-FQEVSTJZSA-N 0 1 385.460 3.425 20 10 GGCDMN C[C@H](Oc1ccccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593644840 995967434 /nfs/dbraw/zinc/96/74/34/995967434.db2.gz NJQXBQANUDFKHS-KRWDZBQOSA-N 0 1 384.476 3.007 20 10 GGCDMN COCc1cc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc(C(=O)[O-])c1 ZINC001599290009 997047908 /nfs/dbraw/zinc/04/79/08/997047908.db2.gz WTHSZUIMQYGMPH-UHFFFAOYSA-N 0 1 387.455 3.034 20 10 GGCDMN COC1(C)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC001599085282 997085649 /nfs/dbraw/zinc/08/56/49/997085649.db2.gz ARLLIEWDYJRMSS-UHFFFAOYSA-N 0 1 384.476 3.476 20 10 GGCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc(OC)c1OC ZINC001599405826 997296424 /nfs/dbraw/zinc/29/64/24/997296424.db2.gz KNPNMLXWGVEOJE-UHFFFAOYSA-N 0 1 395.839 3.158 20 10 GGCDMN COc1cc(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407504 997349371 /nfs/dbraw/zinc/34/93/71/997349371.db2.gz MMIRMPMGBLRKOH-QFIPXVFZSA-N 0 1 391.508 3.280 20 10 GGCDMN COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001598929531 997718737 /nfs/dbraw/zinc/71/87/37/997718737.db2.gz ONBWMZVHDOVQDF-IBGZPJMESA-N 0 1 399.443 3.058 20 10 GGCDMN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756384558 1126108386 /nfs/dbraw/zinc/10/83/86/1126108386.db2.gz BLZBQNHETKJLDO-CQSZACIVSA-N 0 1 395.814 3.132 20 10 GGCDMN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2ccn[nH]2)C(=O)[O-])cc1 ZINC000900058477 1126128586 /nfs/dbraw/zinc/12/85/86/1126128586.db2.gz DANQOFQJJBBCSL-OAQYLSRUSA-N 0 1 378.476 3.222 20 10 GGCDMN O=C([O-])[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc(F)cc(F)c1O ZINC001601660589 1126224853 /nfs/dbraw/zinc/22/48/53/1126224853.db2.gz QQLYUWMWLNZYMW-CQSZACIVSA-N 0 1 386.192 3.218 20 10 GGCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Cl ZINC000013009428 210045966 /nfs/dbraw/zinc/04/59/66/210045966.db2.gz GXMZJZDSEDWYOM-UHFFFAOYSA-N 0 1 395.289 3.166 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)CCSc1nnc(C)[nH]1 ZINC000120997763 564347982 /nfs/dbraw/zinc/34/79/82/564347982.db2.gz ZCEACEPKWUBVNO-UHFFFAOYSA-N 0 1 399.314 3.112 20 10 GGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133791 564884111 /nfs/dbraw/zinc/88/41/11/564884111.db2.gz RXQZUHKVURSGER-LBPRGKRZSA-N 0 1 377.286 3.072 20 10 GGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133791 564884112 /nfs/dbraw/zinc/88/41/12/564884112.db2.gz RXQZUHKVURSGER-LBPRGKRZSA-N 0 1 377.286 3.072 20 10 GGCDMN Cc1cc(Br)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154996531 565059015 /nfs/dbraw/zinc/05/90/15/565059015.db2.gz WJVSNJFVGRIBSX-INIZCTEOSA-N 0 1 398.322 3.339 20 10 GGCDMN CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000157498717 565134120 /nfs/dbraw/zinc/13/41/20/565134120.db2.gz UPJPFBZTFYUHDX-HIFRSBDPSA-N 0 1 386.286 3.118 20 10 GGCDMN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000292830487 565136591 /nfs/dbraw/zinc/13/65/91/565136591.db2.gz RDUHZQHMXRBKKP-KWQFWETISA-N 0 1 379.092 3.262 20 10 GGCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000292830487 565136595 /nfs/dbraw/zinc/13/65/95/565136595.db2.gz RDUHZQHMXRBKKP-KWQFWETISA-N 0 1 379.092 3.262 20 10 GGCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185708909 565217979 /nfs/dbraw/zinc/21/79/79/565217979.db2.gz KPXHVNIWKIHUOW-UHFFFAOYSA-N 0 1 377.282 3.470 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Br)n1 ZINC000272424559 565287271 /nfs/dbraw/zinc/28/72/71/565287271.db2.gz OLSPXINCNAKNRI-UHFFFAOYSA-N 0 1 376.298 3.313 20 10 GGCDMN COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])ccc1OCCO ZINC000273395034 565318954 /nfs/dbraw/zinc/31/89/54/565318954.db2.gz LTUZTINKGGRTOQ-LBPRGKRZSA-N 0 1 396.281 3.385 20 10 GGCDMN C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000273428970 565319507 /nfs/dbraw/zinc/31/95/07/565319507.db2.gz KTXZEVGYKVMWAY-NSHDSACASA-N 0 1 384.841 3.078 20 10 GGCDMN COc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])ccc1OCCO ZINC000273432166 565319802 /nfs/dbraw/zinc/31/98/02/565319802.db2.gz VWMWNYXKTPOKAO-GFCCVEGCSA-N 0 1 396.281 3.385 20 10 GGCDMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000273455232 565321012 /nfs/dbraw/zinc/32/10/12/565321012.db2.gz GYYVFBVQDIMLIW-XLWVJDPXSA-N 0 1 380.282 3.290 20 10 GGCDMN C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000273455228 565321233 /nfs/dbraw/zinc/32/12/33/565321233.db2.gz GYYVFBVQDIMLIW-PNPHSEOMSA-N 0 1 380.282 3.290 20 10 GGCDMN COCCOC1(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CCOCC1 ZINC000296579531 565324076 /nfs/dbraw/zinc/32/40/76/565324076.db2.gz UGDQJFTUIACEQC-CYBMUJFWSA-N 0 1 388.302 3.018 20 10 GGCDMN COCCOC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCOCC1 ZINC000296579532 565324339 /nfs/dbraw/zinc/32/43/39/565324339.db2.gz UGDQJFTUIACEQC-ZDUSSCGKSA-N 0 1 388.302 3.018 20 10 GGCDMN C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000273533171 565325007 /nfs/dbraw/zinc/32/50/07/565325007.db2.gz WTMBBOQCFNEGIA-NUTKFTJISA-N 0 1 380.282 3.290 20 10 GGCDMN O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275019408 565389467 /nfs/dbraw/zinc/38/94/67/565389467.db2.gz PFWUNJLQYNNUIN-GFCCVEGCSA-N 0 1 383.853 3.262 20 10 GGCDMN O=C(NCc1nnc2n1CCCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000376299521 565429967 /nfs/dbraw/zinc/42/99/67/565429967.db2.gz MMINGBHGSVNBBT-UHFFFAOYSA-N 0 1 384.267 3.016 20 10 GGCDMN CCOc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1O ZINC000299311471 565447467 /nfs/dbraw/zinc/44/74/67/565447467.db2.gz VVEOXXHFJSXNCS-LFIBNONCSA-N 0 1 378.519 3.086 20 10 GGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(c2cnccn2)CC1 ZINC000377092178 565466501 /nfs/dbraw/zinc/46/65/01/565466501.db2.gz XMUJYWIXDJIPEJ-UHFFFAOYSA-N 0 1 381.263 3.022 20 10 GGCDMN C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Br)cc1[O-] ZINC000277154287 565479507 /nfs/dbraw/zinc/47/95/07/565479507.db2.gz QMZDWNCSMVWLRR-GFCCVEGCSA-N 0 1 377.286 3.264 20 10 GGCDMN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277783630 565519838 /nfs/dbraw/zinc/51/98/38/565519838.db2.gz RETFRNSKDMOYTJ-ZDUSSCGKSA-N 0 1 384.318 3.074 20 10 GGCDMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277783630 565519842 /nfs/dbraw/zinc/51/98/42/565519842.db2.gz RETFRNSKDMOYTJ-ZDUSSCGKSA-N 0 1 384.318 3.074 20 10 GGCDMN Oc1ccc(F)cc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685518 565620782 /nfs/dbraw/zinc/62/07/82/565620782.db2.gz QNBMXKRYEXTRND-UHFFFAOYSA-N 0 1 376.379 3.114 20 10 GGCDMN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1[O-] ZINC000280988331 565706276 /nfs/dbraw/zinc/70/62/76/565706276.db2.gz MNEMHYQSGJRAKZ-ZDUSSCGKSA-N 0 1 376.316 3.163 20 10 GGCDMN O=C([N-]CC1CC[NH+](Cc2cc(Br)ccc2O)CC1)C(F)(F)F ZINC000281167133 565715822 /nfs/dbraw/zinc/71/58/22/565715822.db2.gz GRNZZXACPJFEET-UHFFFAOYSA-N 0 1 395.219 3.045 20 10 GGCDMN C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865253 566093830 /nfs/dbraw/zinc/09/38/30/566093830.db2.gz XNUPCBHEOQDSFG-IUCAKERBSA-N 0 1 379.092 3.120 20 10 GGCDMN COc1cc(Br)c(CNCc2cccc(OC)c2O)c(OC)c1 ZINC000289453993 566124071 /nfs/dbraw/zinc/12/40/71/566124071.db2.gz NNVWVZQLJPMJQJ-UHFFFAOYSA-N 0 1 382.254 3.470 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccccc3Cl)CC2)cc1 ZINC000011853435 570439073 /nfs/dbraw/zinc/43/90/73/570439073.db2.gz LGMPXPKYAHDNIZ-UHFFFAOYSA-N 0 1 387.911 3.291 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000011853439 570439158 /nfs/dbraw/zinc/43/91/58/570439158.db2.gz UOIOBHWXLCWBBB-UHFFFAOYSA-N 0 1 381.520 3.254 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)C(C)(C)c3ccccc3)CC2)cc1 ZINC000032765306 570802930 /nfs/dbraw/zinc/80/29/30/570802930.db2.gz YVBKEDOXSLJERF-UHFFFAOYSA-N 0 1 395.547 3.301 20 10 GGCDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736347240 599782636 /nfs/dbraw/zinc/78/26/36/599782636.db2.gz PDOFAKNAMDPUBS-OAHLLOKOSA-N 0 1 384.476 3.228 20 10 GGCDMN CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736242677 599954114 /nfs/dbraw/zinc/95/41/14/599954114.db2.gz XVGGVGMKSUNATL-OAHLLOKOSA-N 0 1 384.476 3.370 20 10 GGCDMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])Cc1ccccc1O ZINC000737395181 600142729 /nfs/dbraw/zinc/14/27/29/600142729.db2.gz QLQDRGKHHCYGBX-UHFFFAOYSA-N 0 1 383.231 3.468 20 10 GGCDMN C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])Cc1ccccc1O ZINC000737395181 600142731 /nfs/dbraw/zinc/14/27/31/600142731.db2.gz QLQDRGKHHCYGBX-UHFFFAOYSA-N 0 1 383.231 3.468 20 10 GGCDMN CC(=O)c1ccccc1OCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736195608 600314264 /nfs/dbraw/zinc/31/42/64/600314264.db2.gz AJHFBCOZCGKZPB-UHFFFAOYSA-N 0 1 377.824 3.214 20 10 GGCDMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)n1 ZINC000738849570 600427130 /nfs/dbraw/zinc/42/71/30/600427130.db2.gz GAAUFGULAVHXAL-INIZCTEOSA-N 0 1 394.475 3.364 20 10 GGCDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738318481 600956176 /nfs/dbraw/zinc/95/61/76/600956176.db2.gz KRNNRLKDKQULFT-QGZVFWFLSA-N 0 1 384.476 3.069 20 10 GGCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@H](CCO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738318481 600956178 /nfs/dbraw/zinc/95/61/78/600956178.db2.gz KRNNRLKDKQULFT-QGZVFWFLSA-N 0 1 384.476 3.069 20 10 GGCDMN Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)n1 ZINC000832995836 600985029 /nfs/dbraw/zinc/98/50/29/600985029.db2.gz LTAYLCHAXXRGED-MRXNPFEDSA-N 0 1 380.448 3.289 20 10 GGCDMN Cc1cc(C(=O)C[N@H+]2CCC3(C2)CCOCC3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832860112 601052019 /nfs/dbraw/zinc/05/20/19/601052019.db2.gz YUCVAGIAYKWMTN-UHFFFAOYSA-N 0 1 396.487 3.478 20 10 GGCDMN C[C@H](Oc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537571 604519813 /nfs/dbraw/zinc/51/98/13/604519813.db2.gz LSGOSSHBSACMGP-JXFKEZNVSA-N 0 1 385.460 3.425 20 10 GGCDMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000833182998 604747368 /nfs/dbraw/zinc/74/73/68/604747368.db2.gz MPOMDGKVBRKVDR-CKEIUWERSA-N 0 1 394.899 3.017 20 10 GGCDMN CC(C)[N@@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)Cc1ccc(N(C)C)cc1 ZINC000826935472 604967437 /nfs/dbraw/zinc/96/74/37/604967437.db2.gz BTLRUXXAYOGUCX-UHFFFAOYSA-N 0 1 398.507 3.369 20 10 GGCDMN CN(C)c1ccc(C[N@@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C2CC2)cc1 ZINC000830635425 604967736 /nfs/dbraw/zinc/96/77/36/604967736.db2.gz MOONNXRURIWRNB-UHFFFAOYSA-N 0 1 396.491 3.123 20 10 GGCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617589 609327806 /nfs/dbraw/zinc/32/78/06/609327806.db2.gz IEXZFMUPXBTKQZ-CQSZACIVSA-N 0 1 398.511 3.410 20 10 GGCDMN COc1ccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004791770 1398403415 /nfs/dbraw/zinc/40/34/15/1398403415.db2.gz MONYRTUHCOJNEM-UHFFFAOYSA-N 0 1 398.507 3.038 20 10 GGCDMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193357 1398957352 /nfs/dbraw/zinc/95/73/52/1398957352.db2.gz SZBNOHBBGFDPJE-GOSISDBHSA-N 0 1 399.510 3.314 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000011853436 1399016085 /nfs/dbraw/zinc/01/60/85/1399016085.db2.gz VJYLXNQYNZUWOD-UHFFFAOYSA-N 0 1 381.520 3.254 20 10 GGCDMN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571726 1399172980 /nfs/dbraw/zinc/17/29/80/1399172980.db2.gz HPKOHLRKQBULET-MOPGFXCFSA-N 0 1 393.531 3.321 20 10 GGCDMN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386842 1399236711 /nfs/dbraw/zinc/23/67/11/1399236711.db2.gz FHBDBDQUSQSDMR-GOSISDBHSA-N 0 1 383.540 3.486 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000018150671 1399304296 /nfs/dbraw/zinc/30/42/96/1399304296.db2.gz KVYFNECYAKZREV-UHFFFAOYSA-N 0 1 396.516 3.174 20 10 GGCDMN CCc1ccccc1NC(=O)CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000020666194 1399351208 /nfs/dbraw/zinc/35/12/08/1399351208.db2.gz PCTUXXUKXKVBTN-UHFFFAOYSA-N 0 1 381.520 3.328 20 10 GGCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000055639136 1407036044 /nfs/dbraw/zinc/03/60/44/1407036044.db2.gz PSRWRHAPJYJRFN-UHFFFAOYSA-N 0 1 392.861 3.042 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000024088658 1399601385 /nfs/dbraw/zinc/60/13/85/1399601385.db2.gz WFIOKIQJIWQGQO-UHFFFAOYSA-N 0 1 393.487 3.384 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)CCc3ccsc3)CC2)cc1 ZINC000024088872 1399601923 /nfs/dbraw/zinc/60/19/23/1399601923.db2.gz YPDMTMKTGPNVLS-UHFFFAOYSA-N 0 1 387.549 3.018 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000027440341 1400039872 /nfs/dbraw/zinc/03/98/72/1400039872.db2.gz BXRBPZLUALLCIC-UHFFFAOYSA-N 0 1 385.468 3.085 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000045548506 1404145031 /nfs/dbraw/zinc/14/50/31/1404145031.db2.gz NIBKQRFXIOUXEH-UHFFFAOYSA-N 0 1 393.531 3.223 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000045578725 1404151408 /nfs/dbraw/zinc/15/14/08/1404151408.db2.gz RTDTVHHRQFPJKQ-LJQANCHMSA-N 0 1 396.535 3.268 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000045578723 1404151612 /nfs/dbraw/zinc/15/16/12/1404151612.db2.gz RTDTVHHRQFPJKQ-IBGZPJMESA-N 0 1 396.535 3.268 20 10 GGCDMN C[C@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000045787374 1404204494 /nfs/dbraw/zinc/20/44/94/1404204494.db2.gz FXRHVMSWKBEVCC-ROUUACIJSA-N 0 1 397.519 3.343 20 10 GGCDMN CCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000051211967 1405745584 /nfs/dbraw/zinc/74/55/84/1405745584.db2.gz RZKMIUVRRQLXDE-UHFFFAOYSA-N 0 1 399.510 3.191 20 10 GGCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000052466340 1406060135 /nfs/dbraw/zinc/06/01/35/1406060135.db2.gz GTVRTUPXNQVXLO-IBGZPJMESA-N 0 1 393.531 3.181 20 10 GGCDMN CN(C)c1ccc(CNCc2ccccc2OCC(=O)N2CCCC2)cc1F ZINC000058474974 1407834391 /nfs/dbraw/zinc/83/43/91/1407834391.db2.gz GRLPKYXXEPJQOA-UHFFFAOYSA-N 0 1 385.483 3.183 20 10 GGCDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058514963 1407839166 /nfs/dbraw/zinc/83/91/66/1407839166.db2.gz BFUHAHPECRZGRM-UHFFFAOYSA-N 0 1 399.514 3.274 20 10 GGCDMN COc1ccc(N2CCN(CCCNc3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000060320119 1407952592 /nfs/dbraw/zinc/95/25/92/1407952592.db2.gz HXLWTYAFUYTKRP-UHFFFAOYSA-N 0 1 386.446 3.469 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C/c3cnn(-c4ccccc4)c3)SC2=S)CC1 ZINC000063823916 1408421505 /nfs/dbraw/zinc/42/15/05/1408421505.db2.gz IJNDKCCXVLNSIK-BOPFTXTBSA-N 0 1 384.530 3.168 20 10 GGCDMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000064298406 1408531104 /nfs/dbraw/zinc/53/11/04/1408531104.db2.gz DSOKMFXKKLPGHV-UHFFFAOYSA-N 0 1 377.441 3.050 20 10 GGCDMN COc1ccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C ZINC000065013789 1408636180 /nfs/dbraw/zinc/63/61/80/1408636180.db2.gz ONQKEJZSKLNTJI-UHFFFAOYSA-N 0 1 376.522 3.370 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)CC(C3CC3)C3CC3)CC2)cc1 ZINC000065051298 1408639260 /nfs/dbraw/zinc/63/92/60/1408639260.db2.gz AXVRSETYHFCSSV-UHFFFAOYSA-N 0 1 385.552 3.150 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)C3(C)CC3)cc2F)CC1 ZINC000176501852 1428341912 /nfs/dbraw/zinc/34/19/12/1428341912.db2.gz VVCQZPJFNZFNEK-MRXNPFEDSA-N 0 1 376.520 3.298 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)C3(C)CC3)cc2F)CC1 ZINC000176501842 1428342029 /nfs/dbraw/zinc/34/20/29/1428342029.db2.gz VVCQZPJFNZFNEK-INIZCTEOSA-N 0 1 376.520 3.298 20 10 GGCDMN CCN(Cc1ccccn1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000176501826 1428342127 /nfs/dbraw/zinc/34/21/27/1428342127.db2.gz SMUWJNUJMJKFSZ-UHFFFAOYSA-N 0 1 399.514 3.094 20 10 GGCDMN Cc1cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176535387 1428354668 /nfs/dbraw/zinc/35/46/68/1428354668.db2.gz UUHHXYFPRBPWFE-SFHVURJKSA-N 0 1 382.552 3.077 20 10 GGCDMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCc3ccccc3O)c2C1 ZINC000069935202 1409728878 /nfs/dbraw/zinc/72/88/78/1409728878.db2.gz WYUQRJJYECRFPQ-HNNXBMFYSA-N 0 1 381.476 3.007 20 10 GGCDMN COc1ccccc1CN(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976440 1409809389 /nfs/dbraw/zinc/80/93/89/1409809389.db2.gz KCENYSAXNGHSPZ-FQEVSTJZSA-N 0 1 398.503 3.040 20 10 GGCDMN CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000071004511 1409811151 /nfs/dbraw/zinc/81/11/51/1409811151.db2.gz KMGIPAPKSRIUSU-UNMCSNQZSA-N 0 1 385.552 3.136 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccs3)cc2F)CC1 ZINC000078117519 1409910241 /nfs/dbraw/zinc/91/02/41/1409910241.db2.gz FHHZDJJIHIVXFA-HNNXBMFYSA-N 0 1 375.513 3.449 20 10 GGCDMN CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(Cl)ccc1O ZINC000092511953 1410164729 /nfs/dbraw/zinc/16/47/29/1410164729.db2.gz DFZKSYIWDBDCMS-UHFFFAOYSA-N 0 1 383.897 3.350 20 10 GGCDMN CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)ccc1O ZINC000092512298 1410165939 /nfs/dbraw/zinc/16/59/39/1410165939.db2.gz JBGJKJVASLODNP-UHFFFAOYSA-N 0 1 383.897 3.350 20 10 GGCDMN CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092707512 1410191206 /nfs/dbraw/zinc/19/12/06/1410191206.db2.gz TVPFQBWEFSEDBI-ZDUSSCGKSA-N 0 1 399.329 3.292 20 10 GGCDMN CCCC(=O)NC[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092707513 1410192028 /nfs/dbraw/zinc/19/20/28/1410192028.db2.gz TVPFQBWEFSEDBI-CYBMUJFWSA-N 0 1 399.329 3.292 20 10 GGCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093281278 1410229724 /nfs/dbraw/zinc/22/97/24/1410229724.db2.gz IPFOEMDRZSCHSF-LBPRGKRZSA-N 0 1 383.876 3.328 20 10 GGCDMN COc1ccc(OC)c(C[N@@H+](CCO)Cc2cccc(Br)c2[O-])c1 ZINC000093361524 1410239030 /nfs/dbraw/zinc/23/90/30/1410239030.db2.gz KAWAHHUTQCGSIX-UHFFFAOYSA-N 0 1 396.281 3.166 20 10 GGCDMN Oc1c(Br)cccc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842769 1410273876 /nfs/dbraw/zinc/27/38/76/1410273876.db2.gz LGGRGSHMCCOAFR-UHFFFAOYSA-N 0 1 385.265 3.429 20 10 GGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000097358632 1410366744 /nfs/dbraw/zinc/36/67/44/1410366744.db2.gz COHPYZNDRBAYQM-UHFFFAOYSA-N 0 1 380.496 3.155 20 10 GGCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C4CCOCC4)CC3)c2C)cc1 ZINC000176823684 1428486094 /nfs/dbraw/zinc/48/60/94/1428486094.db2.gz NSLGRKAMDFBDHU-UHFFFAOYSA-N 0 1 397.519 3.040 20 10 GGCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000176825034 1428486380 /nfs/dbraw/zinc/48/63/80/1428486380.db2.gz NKQPBTHYDPYRTO-UHFFFAOYSA-N 0 1 381.520 3.339 20 10 GGCDMN CCC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000103479529 1410862326 /nfs/dbraw/zinc/86/23/26/1410862326.db2.gz HIEKYOKVHMJNCQ-UHFFFAOYSA-N 0 1 397.519 3.470 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000103508181 1410864773 /nfs/dbraw/zinc/86/47/73/1410864773.db2.gz PJBAHDOTYGCFPH-JKSUJKDBSA-N 0 1 383.492 3.208 20 10 GGCDMN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611749 1410868965 /nfs/dbraw/zinc/86/89/65/1410868965.db2.gz GWNBAIXCXXHXAQ-YOEHRIQHSA-N 0 1 375.469 3.437 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)CCC(F)(F)F)cc2F)CC1 ZINC000106584763 1411255892 /nfs/dbraw/zinc/25/58/92/1411255892.db2.gz JUPLRNNPAODPDI-UHFFFAOYSA-N 0 1 390.425 3.061 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccccn3)cc2F)CC1 ZINC000106584766 1411257495 /nfs/dbraw/zinc/25/74/95/1411257495.db2.gz KLPLCHMETDQIRS-QGZVFWFLSA-N 0 1 399.514 3.265 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)C(C3CC3)C3CC3)cc2F)CC1 ZINC000106584817 1411258242 /nfs/dbraw/zinc/25/82/42/1411258242.db2.gz YCHCYZPVNKDUEP-UHFFFAOYSA-N 0 1 388.531 3.298 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000106702246 1411279734 /nfs/dbraw/zinc/27/97/34/1411279734.db2.gz GNWUJEHUYITTGN-KRWDZBQOSA-N 0 1 399.510 3.396 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3c(F)cccc3F)cc2F)CC1 ZINC000106701934 1411280091 /nfs/dbraw/zinc/28/00/91/1411280091.db2.gz BBIIYXGJHQMLRU-UHFFFAOYSA-N 0 1 377.410 3.176 20 10 GGCDMN CCO[C@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccc1 ZINC000106702269 1411280978 /nfs/dbraw/zinc/28/09/78/1411280978.db2.gz CTBNXBAKBMGMBZ-QFIPXVFZSA-N 0 1 399.510 3.362 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CC3)cc2F)CC1 ZINC000106702880 1411281142 /nfs/dbraw/zinc/28/11/42/1411281142.db2.gz SOGMHJNWEVZPCE-UHFFFAOYSA-N 0 1 381.495 3.316 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(F)cc3F)cc2F)CC1 ZINC000106702473 1411281156 /nfs/dbraw/zinc/28/11/56/1411281156.db2.gz DDERHEFKAZJOLD-UHFFFAOYSA-N 0 1 377.410 3.176 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCCc3ccccn3)cc2F)CC1 ZINC000106922418 1411321027 /nfs/dbraw/zinc/32/10/27/1411321027.db2.gz XAFLTRYYHRAKJW-UHFFFAOYSA-N 0 1 384.499 3.002 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4[nH]ccc4c3)CC2)cc1 ZINC000107541101 1411386616 /nfs/dbraw/zinc/38/66/16/1411386616.db2.gz GMOCOHVPCAETTE-UHFFFAOYSA-N 0 1 392.503 3.119 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000107710798 1411400720 /nfs/dbraw/zinc/40/07/20/1411400720.db2.gz FYCFCGRQYIFLLX-IBGZPJMESA-N 0 1 381.520 3.345 20 10 GGCDMN COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000107710796 1411401063 /nfs/dbraw/zinc/40/10/63/1411401063.db2.gz FYCFCGRQYIFLLX-LJQANCHMSA-N 0 1 381.520 3.345 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1c1ccc(C)cc1)cc2=O ZINC000108096634 1411438194 /nfs/dbraw/zinc/43/81/94/1411438194.db2.gz HWBMCQQGAUMMQQ-GOSISDBHSA-N 0 1 380.448 3.257 20 10 GGCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1ccc(C(C)C)cc1)cc2=O ZINC000108106578 1411438828 /nfs/dbraw/zinc/43/88/28/1411438828.db2.gz JAYDMJNGEVIMLL-UHFFFAOYSA-N 0 1 382.464 3.367 20 10 GGCDMN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000108676809 1411568347 /nfs/dbraw/zinc/56/83/47/1411568347.db2.gz PTBVHGRVKZKMMX-TYOLEZHBSA-N 0 1 395.503 3.083 20 10 GGCDMN C[C@H]1CN(c2ccc(NC(=O)CN(C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000109772761 1411809285 /nfs/dbraw/zinc/80/92/85/1411809285.db2.gz OQFXAVGLXNIZQX-IRXDYDNUSA-N 0 1 383.492 3.076 20 10 GGCDMN C[C@@H]1CN(c2ccc(NC(=O)CN(C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000109772759 1411809305 /nfs/dbraw/zinc/80/93/05/1411809305.db2.gz OQFXAVGLXNIZQX-CALCHBBNSA-N 0 1 383.492 3.076 20 10 GGCDMN CC(C)[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000109772855 1411809383 /nfs/dbraw/zinc/80/93/83/1411809383.db2.gz PSOSSYHUKSYCAO-QFIPXVFZSA-N 0 1 384.476 3.109 20 10 GGCDMN CC(C)[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000109772858 1411809427 /nfs/dbraw/zinc/80/94/27/1411809427.db2.gz PSOSSYHUKSYCAO-JOCHJYFZSA-N 0 1 384.476 3.109 20 10 GGCDMN CN(CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccccc1O ZINC000109771992 1411809502 /nfs/dbraw/zinc/80/95/02/1411809502.db2.gz QHFVGARRWCMSFA-UHFFFAOYSA-N 0 1 383.311 3.307 20 10 GGCDMN O=C(c1c[nH]c2ccccc2c1=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109891642 1411816827 /nfs/dbraw/zinc/81/68/27/1411816827.db2.gz DYGPAMNROCEOIN-MRXNPFEDSA-N 0 1 378.428 3.055 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)/C=C/c3cnc(C)s3)cc2F)CC1 ZINC000112246304 1412100462 /nfs/dbraw/zinc/10/04/62/1412100462.db2.gz LJJMOKKFGUPOEO-FNORWQNLSA-N 0 1 388.512 3.062 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2F)CC1 ZINC000177201783 1428629320 /nfs/dbraw/zinc/62/93/20/1428629320.db2.gz JVZRXAARLLGOIS-UHFFFAOYSA-N 0 1 395.400 3.315 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CSc4ccccc43)cc2F)CC1 ZINC000118224234 1413128054 /nfs/dbraw/zinc/12/80/54/1413128054.db2.gz GYWLFUVLINYWIF-SFHVURJKSA-N 0 1 399.535 3.473 20 10 GGCDMN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(C)c(C)cc1O ZINC000119357295 1413422396 /nfs/dbraw/zinc/42/23/96/1413422396.db2.gz DUAODWFOQPZTCI-UHFFFAOYSA-N 0 1 397.519 3.306 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccsc3)cc2F)CC1 ZINC000119847715 1413592284 /nfs/dbraw/zinc/59/22/84/1413592284.db2.gz VFNSQSVRVFOVSV-HNNXBMFYSA-N 0 1 375.513 3.449 20 10 GGCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2[nH]nc3ccccc32)cc1 ZINC000120076178 1413677816 /nfs/dbraw/zinc/67/78/16/1413677816.db2.gz OWWPEGRXPRIJGT-SFHVURJKSA-N 0 1 378.476 3.450 20 10 GGCDMN O=C(Cc1cccc(F)c1)N1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000120417730 1413813164 /nfs/dbraw/zinc/81/31/64/1413813164.db2.gz YEPIUOZJAKOUBG-UHFFFAOYSA-N 0 1 376.859 3.462 20 10 GGCDMN CCCN(Cc1ccccc1O)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000120571433 1413846161 /nfs/dbraw/zinc/84/61/61/1413846161.db2.gz USAVYCXELYDXLQ-UHFFFAOYSA-N 0 1 381.520 3.192 20 10 GGCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000121007594 1413975522 /nfs/dbraw/zinc/97/55/22/1413975522.db2.gz ZOHDDXFCDNYHEJ-GOSISDBHSA-N 0 1 390.439 3.377 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000121195106 1414040145 /nfs/dbraw/zinc/04/01/45/1414040145.db2.gz QJUIMTFUGADSFW-MOPGFXCFSA-N 0 1 388.556 3.085 20 10 GGCDMN COc1cc2c(c(CN(C)Cc3ccc(N4CCOCC4)cc3)c1)O[C@H](C)C2 ZINC000121292973 1414074546 /nfs/dbraw/zinc/07/45/46/1414074546.db2.gz JSBLQFIVBPXCSN-QGZVFWFLSA-N 0 1 382.504 3.487 20 10 GGCDMN CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121326792 1414084591 /nfs/dbraw/zinc/08/45/91/1414084591.db2.gz POXXZMQWEHWPOH-UHFFFAOYSA-N 0 1 380.467 3.480 20 10 GGCDMN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000121454142 1414130069 /nfs/dbraw/zinc/13/00/69/1414130069.db2.gz WFMRTAIUIDTPRE-HSZRJFAPSA-N 0 1 393.531 3.194 20 10 GGCDMN O=C(NC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1)c1ccccc1 ZINC000123062921 1414631555 /nfs/dbraw/zinc/63/15/55/1414631555.db2.gz MRWSDFHNYCWUJC-UHFFFAOYSA-N 0 1 397.494 3.057 20 10 GGCDMN COc1cccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000123495990 1414751953 /nfs/dbraw/zinc/75/19/53/1414751953.db2.gz DJLXALJQZJRBDG-OAQYLSRUSA-N 0 1 398.503 3.040 20 10 GGCDMN CN(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123497666 1414752600 /nfs/dbraw/zinc/75/26/00/1414752600.db2.gz LZUVHHVHNKAHAF-HXUWFJFHSA-N 0 1 386.467 3.171 20 10 GGCDMN COc1ccc(N2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1F ZINC000177710525 1428840142 /nfs/dbraw/zinc/84/01/42/1428840142.db2.gz SDLUFLNSKPMOEL-UHFFFAOYSA-N 0 1 375.419 3.124 20 10 GGCDMN Cc1cc(C(=O)CN2CCN(C3CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000177751249 1428850138 /nfs/dbraw/zinc/85/01/38/1428850138.db2.gz NQOXUPKVEXUKBR-UHFFFAOYSA-N 0 1 395.547 3.382 20 10 GGCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000177828998 1428866559 /nfs/dbraw/zinc/86/65/59/1428866559.db2.gz GOBPMSUGCGKMRT-NSHDSACASA-N 0 1 388.269 3.466 20 10 GGCDMN CCn1c(C)cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000125212411 1415131548 /nfs/dbraw/zinc/13/15/48/1415131548.db2.gz GORWRQMSHBDTQA-UHFFFAOYSA-N 0 1 398.551 3.076 20 10 GGCDMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000177884919 1428883020 /nfs/dbraw/zinc/88/30/20/1428883020.db2.gz DWADULFKDUBAIV-MRXNPFEDSA-N 0 1 385.483 3.263 20 10 GGCDMN COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccccc1O)N1CCCC1 ZINC000126763078 1415551929 /nfs/dbraw/zinc/55/19/29/1415551929.db2.gz DSEHPZSLUJZCOD-IBGZPJMESA-N 0 1 383.492 3.379 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000178086194 1428976088 /nfs/dbraw/zinc/97/60/88/1428976088.db2.gz ODPOOCBJCSXPTI-FQEVSTJZSA-N 0 1 381.520 3.197 20 10 GGCDMN Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127218996 1415690874 /nfs/dbraw/zinc/69/08/74/1415690874.db2.gz LLYFCAMSCUWIQL-KRWDZBQOSA-N 0 1 385.483 3.430 20 10 GGCDMN Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127218996 1415690882 /nfs/dbraw/zinc/69/08/82/1415690882.db2.gz LLYFCAMSCUWIQL-KRWDZBQOSA-N 0 1 385.483 3.430 20 10 GGCDMN Cc1ccccc1CCNC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127220478 1415691947 /nfs/dbraw/zinc/69/19/47/1415691947.db2.gz HXOMMEIDBHQRNT-FQEVSTJZSA-N 0 1 395.547 3.011 20 10 GGCDMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127221159 1415692578 /nfs/dbraw/zinc/69/25/78/1415692578.db2.gz IJPIUJXPBGXFOE-HXUWFJFHSA-N 0 1 395.547 3.311 20 10 GGCDMN O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cccc(Br)c1O ZINC000128213685 1415940913 /nfs/dbraw/zinc/94/09/13/1415940913.db2.gz BJMKXMCRSNGLJI-HNNXBMFYSA-N 0 1 379.254 3.029 20 10 GGCDMN Cn1c(-c2ccccc2)cnc1SCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000128509087 1416002011 /nfs/dbraw/zinc/00/20/11/1416002011.db2.gz ZZHOKYUOQKKHIR-UHFFFAOYSA-N 0 1 384.486 3.201 20 10 GGCDMN O=C(c1ccc(F)cc1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000128765757 1416063188 /nfs/dbraw/zinc/06/31/88/1416063188.db2.gz XZDRRTFRSNHIEY-UHFFFAOYSA-N 0 1 393.256 3.252 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3c(C)noc3C3CC3)cc2F)CC1 ZINC000129501171 1416219224 /nfs/dbraw/zinc/21/92/24/1416219224.db2.gz GPROSUOSMVMQMZ-UHFFFAOYSA-N 0 1 386.471 3.071 20 10 GGCDMN O=S(=O)(NC1CCN(Cc2c(O)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000129795135 1416264749 /nfs/dbraw/zinc/26/47/49/1416264749.db2.gz KAXIQVOUJHKAMB-UHFFFAOYSA-N 0 1 398.887 3.128 20 10 GGCDMN O=C(CC1(O)CCCCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129951190 1416289946 /nfs/dbraw/zinc/28/99/46/1416289946.db2.gz JYWJDZQTFOQPJR-QGZVFWFLSA-N 0 1 380.916 3.212 20 10 GGCDMN O=C(Cc1cn2ccccc2n1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129968260 1416292667 /nfs/dbraw/zinc/29/26/67/1416292667.db2.gz XVHOJGYPRMQDSL-QGZVFWFLSA-N 0 1 398.894 3.017 20 10 GGCDMN O=C(Cc1cn2ccccc2n1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129968493 1416293289 /nfs/dbraw/zinc/29/32/89/1416293289.db2.gz XVHOJGYPRMQDSL-KRWDZBQOSA-N 0 1 398.894 3.017 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(F)c(F)cc3F)cc2F)CC1 ZINC000130045442 1416308220 /nfs/dbraw/zinc/30/82/20/1416308220.db2.gz LGYBZZWNXHUKKR-UHFFFAOYSA-N 0 1 395.400 3.315 20 10 GGCDMN CCCN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1O ZINC000130734207 1416438196 /nfs/dbraw/zinc/43/81/96/1416438196.db2.gz MYYQKPUWCRDXCO-UHFFFAOYSA-N 0 1 381.476 3.370 20 10 GGCDMN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579707 1416579250 /nfs/dbraw/zinc/57/92/50/1416579250.db2.gz NRWMQMJOWTVPFI-KRWDZBQOSA-N 0 1 394.519 3.235 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000133709028 1416948393 /nfs/dbraw/zinc/94/83/93/1416948393.db2.gz XDKPXLHQOFUZJX-JOCHJYFZSA-N 0 1 397.494 3.290 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000133709213 1416948489 /nfs/dbraw/zinc/94/84/89/1416948489.db2.gz XDKPXLHQOFUZJX-QFIPXVFZSA-N 0 1 397.494 3.290 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Cc3cccc(F)c3F)cc2F)CC1 ZINC000133950784 1417000488 /nfs/dbraw/zinc/00/04/88/1417000488.db2.gz QTTCOCJYJPDMMD-UHFFFAOYSA-N 0 1 391.437 3.105 20 10 GGCDMN Cc1noc(C)c1CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134264976 1417046090 /nfs/dbraw/zinc/04/60/90/1417046090.db2.gz MUNRUHXIAFGYGN-KRWDZBQOSA-N 0 1 391.899 3.364 20 10 GGCDMN C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000134263130 1417046285 /nfs/dbraw/zinc/04/62/85/1417046285.db2.gz KFJYFXQKCQQKSS-OLMNPRSZSA-N 0 1 380.916 3.474 20 10 GGCDMN COCCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000134268766 1417047069 /nfs/dbraw/zinc/04/70/69/1417047069.db2.gz FNGXPRHFWIFQCM-KRWDZBQOSA-N 0 1 380.916 3.333 20 10 GGCDMN COCCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000134268753 1417047212 /nfs/dbraw/zinc/04/72/12/1417047212.db2.gz FNGXPRHFWIFQCM-QGZVFWFLSA-N 0 1 380.916 3.333 20 10 GGCDMN Cc1[nH]nc2ncc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12 ZINC000134265905 1417047253 /nfs/dbraw/zinc/04/72/53/1417047253.db2.gz UBHQURKCKUMLEH-MRXNPFEDSA-N 0 1 399.882 3.020 20 10 GGCDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178730684 1429154063 /nfs/dbraw/zinc/15/40/63/1429154063.db2.gz QUFYFELIRFVEQK-CQSZACIVSA-N 0 1 389.427 3.430 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CC3CCSCC3)cc2F)CC1 ZINC000135473843 1417225034 /nfs/dbraw/zinc/22/50/34/1417225034.db2.gz SVJMODDLNSLCAC-UHFFFAOYSA-N 0 1 379.545 3.117 20 10 GGCDMN COC(=O)c1cccc2nc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)[nH]c21 ZINC000135903399 1417276907 /nfs/dbraw/zinc/27/69/07/1417276907.db2.gz FWIAEMOYUPMQEE-UHFFFAOYSA-N 0 1 389.415 3.404 20 10 GGCDMN Cc1cc(C(=O)CN2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178826929 1429185656 /nfs/dbraw/zinc/18/56/56/1429185656.db2.gz LYYVKFPQTNXTQO-NRFANRHFSA-N 0 1 395.547 3.239 20 10 GGCDMN Fc1ccccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000139816668 1417475995 /nfs/dbraw/zinc/47/59/95/1417475995.db2.gz DJHIBGIXIZJZEP-UHFFFAOYSA-N 0 1 395.457 3.371 20 10 GGCDMN COC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc(Br)c1O ZINC000178848047 1429194340 /nfs/dbraw/zinc/19/43/40/1429194340.db2.gz OJXZHANKZGUEFU-MRXNPFEDSA-N 0 1 376.250 3.255 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)c3cccs3)CC2)cc1 ZINC000151451476 1417977254 /nfs/dbraw/zinc/97/72/54/1417977254.db2.gz LWUDJHHPOMUTGD-QGZVFWFLSA-N 0 1 387.549 3.189 20 10 GGCDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000152072172 1418137902 /nfs/dbraw/zinc/13/79/02/1418137902.db2.gz JISLGAAOWMEUAL-INIZCTEOSA-N 0 1 399.514 3.312 20 10 GGCDMN Cc1cc2ncc([C@H](C)NCc3ccc(N4CCOCC4)c(F)c3)c(C)n2n1 ZINC000179400981 1429359526 /nfs/dbraw/zinc/35/95/26/1429359526.db2.gz VSVMLQWGAFWELS-HNNXBMFYSA-N 0 1 383.471 3.173 20 10 GGCDMN COc1cc(O)c(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)cc1OC ZINC000179579863 1429450459 /nfs/dbraw/zinc/45/04/59/1429450459.db2.gz UQKVYXWVBUDGIO-UHFFFAOYSA-N 0 1 376.428 3.398 20 10 GGCDMN CCOc1cccc(CN2CCN(Cc3cc(OC)ccc3OC)CC2)c1O ZINC000179637868 1429484239 /nfs/dbraw/zinc/48/42/39/1429484239.db2.gz INBYAFTZPKSYPK-UHFFFAOYSA-N 0 1 386.492 3.126 20 10 GGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179737985 1429530751 /nfs/dbraw/zinc/53/07/51/1429530751.db2.gz SFUXWNULWGRQOM-NSHDSACASA-N 0 1 385.848 3.300 20 10 GGCDMN CN(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1 ZINC000152940405 1422302865 /nfs/dbraw/zinc/30/28/65/1422302865.db2.gz IMFPVUCRHMYWPC-OAQYLSRUSA-N 0 1 382.483 3.304 20 10 GGCDMN C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332837 1422475386 /nfs/dbraw/zinc/47/53/86/1422475386.db2.gz LVVNPLKAAGJQAU-HNNXBMFYSA-N 0 1 389.446 3.260 20 10 GGCDMN Cc1cc(C)c(O)c(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000153399420 1422514644 /nfs/dbraw/zinc/51/46/44/1422514644.db2.gz PDDYAQWXVWVLSL-UHFFFAOYSA-N 0 1 392.496 3.045 20 10 GGCDMN Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c[nH]c12 ZINC000155051937 1423135761 /nfs/dbraw/zinc/13/57/61/1423135761.db2.gz BSVDDLXAQALWSN-UHFFFAOYSA-N 0 1 391.471 3.358 20 10 GGCDMN Cc1nn(C)c(N2CCOCC2)c1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000155244694 1423271102 /nfs/dbraw/zinc/27/11/02/1423271102.db2.gz RTQWPRVTDJCXML-UHFFFAOYSA-N 0 1 397.567 3.187 20 10 GGCDMN CCN(CC)c1ccc(C[N@@H+](C)CCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821197202 1429644201 /nfs/dbraw/zinc/64/42/01/1429644201.db2.gz HGFDXGRECNTNDP-UHFFFAOYSA-N 0 1 380.496 3.224 20 10 GGCDMN COc1cc(O)c(CN2CCCC[C@H]2CNC(=O)c2ccccc2)cc1OC ZINC000179956240 1429661611 /nfs/dbraw/zinc/66/16/11/1429661611.db2.gz HZAXBMHKPQPKSP-SFHVURJKSA-N 0 1 384.476 3.194 20 10 GGCDMN COc1cc(CN2CCN(Cc3cc(C)cc(OC)c3O)CC2)cc(OC)c1 ZINC000164446128 1425113600 /nfs/dbraw/zinc/11/36/00/1425113600.db2.gz KNRMQRRMOXGLGU-UHFFFAOYSA-N 0 1 386.492 3.044 20 10 GGCDMN CCCN(Cc1ccccc1O)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000170731826 1425321990 /nfs/dbraw/zinc/32/19/90/1425321990.db2.gz QJQSTTKATIUOGZ-UHFFFAOYSA-N 0 1 381.520 3.192 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCc3cccs3)cc2F)CC1 ZINC000171520182 1425712769 /nfs/dbraw/zinc/71/27/69/1425712769.db2.gz XWRZAQIIMMZOCX-UHFFFAOYSA-N 0 1 375.513 3.278 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccsc3)cc2F)CC1 ZINC000171710211 1425799700 /nfs/dbraw/zinc/79/97/00/1425799700.db2.gz LFTPJXJBUNQOPT-UHFFFAOYSA-N 0 1 376.501 3.029 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccoc3C)cc2F)CC1 ZINC000171751411 1425811435 /nfs/dbraw/zinc/81/14/35/1425811435.db2.gz QXRYTGWOHXIMHJ-UHFFFAOYSA-N 0 1 388.487 3.211 20 10 GGCDMN COc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cc1-c1nn[n-]n1 ZINC000821818490 1426009565 /nfs/dbraw/zinc/00/95/65/1426009565.db2.gz SRGFGCPOLJVWHE-UHFFFAOYSA-N 0 1 392.507 3.401 20 10 GGCDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1cccc(Br)c1 ZINC000172619570 1426116213 /nfs/dbraw/zinc/11/62/13/1426116213.db2.gz ZUCRYAYVUUJBQI-UHFFFAOYSA-N 0 1 388.269 3.247 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cccc4cc[nH]c43)CC2)cc1 ZINC000173133911 1426356335 /nfs/dbraw/zinc/35/63/35/1426356335.db2.gz IPMUHBXQRYFNKW-UHFFFAOYSA-N 0 1 392.503 3.119 20 10 GGCDMN CCN(CC(=O)NC(C1CC1)C1CC1)Cc1cc(Br)ccc1O ZINC000173992853 1426930447 /nfs/dbraw/zinc/93/04/47/1426930447.db2.gz NCSLQGQNIZPPJI-UHFFFAOYSA-N 0 1 381.314 3.281 20 10 GGCDMN COc1ccccc1C[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000174032421 1426956182 /nfs/dbraw/zinc/95/61/82/1426956182.db2.gz GZGOBNRIEPBKGA-GOSISDBHSA-N 0 1 383.536 3.283 20 10 GGCDMN COc1ccccc1C[C@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000174032409 1426956348 /nfs/dbraw/zinc/95/63/48/1426956348.db2.gz GZGOBNRIEPBKGA-SFHVURJKSA-N 0 1 383.536 3.283 20 10 GGCDMN Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCCC2 ZINC000826510634 1427038155 /nfs/dbraw/zinc/03/81/55/1427038155.db2.gz BROJUAIQMFSNSZ-OAQYLSRUSA-N 0 1 391.475 3.025 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N([C@H](C)C3CC3)C3CC3)cc2F)CC1 ZINC000174786370 1427366976 /nfs/dbraw/zinc/36/69/76/1427366976.db2.gz YULORNZFEREHKM-MRXNPFEDSA-N 0 1 388.531 3.440 20 10 GGCDMN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(Cc2ccccn2)CC1 ZINC000175180154 1427585319 /nfs/dbraw/zinc/58/53/19/1427585319.db2.gz HXODOVQXBDLRED-UHFFFAOYSA-N 0 1 394.519 3.130 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000175640225 1427841015 /nfs/dbraw/zinc/84/10/15/1427841015.db2.gz HAAXPYWBRQJMDD-CQSZACIVSA-N 0 1 380.460 3.423 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000175640225 1427841018 /nfs/dbraw/zinc/84/10/18/1427841018.db2.gz HAAXPYWBRQJMDD-CQSZACIVSA-N 0 1 380.460 3.423 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000175640225 1427841021 /nfs/dbraw/zinc/84/10/21/1427841021.db2.gz HAAXPYWBRQJMDD-CQSZACIVSA-N 0 1 380.460 3.423 20 10 GGCDMN Cc1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)c(C)n1-c1ccccn1 ZINC000175666266 1427850279 /nfs/dbraw/zinc/85/02/79/1427850279.db2.gz VRIIGYYIIWAFOT-UHFFFAOYSA-N 0 1 389.503 3.279 20 10 GGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c1O ZINC000175811773 1427904803 /nfs/dbraw/zinc/90/48/03/1427904803.db2.gz YDGFQPPHSMGMMW-MRXNPFEDSA-N 0 1 384.451 3.376 20 10 GGCDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1ccccc1Br ZINC000175933276 1427981766 /nfs/dbraw/zinc/98/17/66/1427981766.db2.gz KXAAALLRTMIZPT-LLVKDONJSA-N 0 1 388.269 3.466 20 10 GGCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2)C[C@@H](C)O1 ZINC000180645823 1429952590 /nfs/dbraw/zinc/95/25/90/1429952590.db2.gz GGCYCLGDDDXLTR-WVDJOFFCSA-N 0 1 396.487 3.037 20 10 GGCDMN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961357 1430137813 /nfs/dbraw/zinc/13/78/13/1430137813.db2.gz SZTPRXVTDVLUDL-HNAYVOBHSA-N 0 1 385.487 3.006 20 10 GGCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000181034626 1430178084 /nfs/dbraw/zinc/17/80/84/1430178084.db2.gz NPKQHQXDYSVVAZ-LLVKDONJSA-N 0 1 396.896 3.007 20 10 GGCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCN(c2ncccn2)CC1 ZINC000182943391 1430577595 /nfs/dbraw/zinc/57/75/95/1430577595.db2.gz KQWDLHCNUIHTMF-UHFFFAOYSA-N 0 1 376.460 3.083 20 10 GGCDMN C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185161328 1431074612 /nfs/dbraw/zinc/07/46/12/1431074612.db2.gz CLZHHBABROGDIH-INIZCTEOSA-N 0 1 384.501 3.316 20 10 GGCDMN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000185174258 1431077483 /nfs/dbraw/zinc/07/74/83/1431077483.db2.gz WCUJBXNZMBSOGN-UHFFFAOYSA-N 0 1 393.418 3.276 20 10 GGCDMN C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185974750 1431302578 /nfs/dbraw/zinc/30/25/78/1431302578.db2.gz IIYFNNWFIUYONB-OAHLLOKOSA-N 0 1 392.496 3.283 20 10 GGCDMN C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1[O-] ZINC000186158823 1431343964 /nfs/dbraw/zinc/34/39/64/1431343964.db2.gz YCORCPVASUSHOM-ZFWWWQNUSA-N 0 1 391.514 3.092 20 10 GGCDMN COc1cc(N2CCN(Cc3ccc(C#N)cc3C)CC2)cc(OC)c1OC ZINC000186331288 1431385005 /nfs/dbraw/zinc/38/50/05/1431385005.db2.gz CBYAPLSUJTZDFY-UHFFFAOYSA-N 0 1 381.476 3.215 20 10 GGCDMN Cc1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC000186663039 1431484748 /nfs/dbraw/zinc/48/47/48/1431484748.db2.gz VPANSLWYECPIEP-GOSISDBHSA-N 0 1 383.492 3.105 20 10 GGCDMN CCOCc1cc(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OC ZINC000187494736 1431748137 /nfs/dbraw/zinc/74/81/37/1431748137.db2.gz BBHZQJQOSOHNLJ-QGZVFWFLSA-N 0 1 391.533 3.492 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCSCC[C@@H]3C)cc2F)CC1 ZINC000188711709 1431941054 /nfs/dbraw/zinc/94/10/54/1431941054.db2.gz BZIYAXMYOIXGDI-INIZCTEOSA-N 0 1 394.560 3.005 20 10 GGCDMN Fc1ccc(Cn2cc(CNCc3ccc(N4CCOCC4)c(F)c3)cn2)cc1 ZINC000189053149 1432035517 /nfs/dbraw/zinc/03/55/17/1432035517.db2.gz GPLCWOJVOUWNLY-UHFFFAOYSA-N 0 1 398.457 3.336 20 10 GGCDMN COc1cc(O)c(CN2CCC(O)(c3c(F)cccc3F)CC2)cc1OC ZINC000190022403 1432306830 /nfs/dbraw/zinc/30/68/30/1432306830.db2.gz SIODDSUYHTVPNP-UHFFFAOYSA-N 0 1 379.403 3.171 20 10 GGCDMN Cc1cc(O)c(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1C ZINC000192458540 1432847196 /nfs/dbraw/zinc/84/71/96/1432847196.db2.gz LMMPWJQFPGIFKW-UHFFFAOYSA-N 0 1 384.505 3.438 20 10 GGCDMN O=C1N[C@@H](c2cc(Cl)cc(Cl)c2O)Nc2ccc(N3CCOCC3)cc21 ZINC000193505571 1433010857 /nfs/dbraw/zinc/01/08/57/1433010857.db2.gz VVKQOBDOKVIGEH-KRWDZBQOSA-N 0 1 394.258 3.390 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4cccnc43)cc2F)CC1 ZINC000194309665 1433159172 /nfs/dbraw/zinc/15/91/72/1433159172.db2.gz PVNGECVYNLBEQG-LJQANCHMSA-N 0 1 396.510 3.099 20 10 GGCDMN O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(Cc2ccncc2)CC1 ZINC000194499582 1433187976 /nfs/dbraw/zinc/18/79/76/1433187976.db2.gz MLIQKXPPAABCFH-UHFFFAOYSA-N 0 1 393.535 3.146 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C\c3cccc(F)c3)CC2)cc1 ZINC000216751205 1433363993 /nfs/dbraw/zinc/36/39/93/1433363993.db2.gz ZEMMPSJXUNUTAF-WDZFZDKYSA-N 0 1 397.494 3.176 20 10 GGCDMN COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000237124365 1433390110 /nfs/dbraw/zinc/39/01/10/1433390110.db2.gz SHNAGDGCVZZANL-UHFFFAOYSA-N 0 1 388.895 3.378 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246576993 1433634007 /nfs/dbraw/zinc/63/40/07/1433634007.db2.gz LRWKRPSMQVANEH-FGZHOGPDSA-N 0 1 399.510 3.096 20 10 GGCDMN CN(C)[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000264621385 1434135748 /nfs/dbraw/zinc/13/57/48/1434135748.db2.gz JMQFLGGYMYRJEJ-MUPIXQSSSA-N 0 1 385.533 3.017 20 10 GGCDMN Cc1nnc(SCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000266791063 1434375746 /nfs/dbraw/zinc/37/57/46/1434375746.db2.gz FGUOWEVVBSWXOJ-UHFFFAOYSA-N 0 1 385.493 3.093 20 10 GGCDMN Cc1n[nH]c(SCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000266791063 1434375748 /nfs/dbraw/zinc/37/57/48/1434375748.db2.gz FGUOWEVVBSWXOJ-UHFFFAOYSA-N 0 1 385.493 3.093 20 10 GGCDMN C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268803455 1434558997 /nfs/dbraw/zinc/55/89/97/1434558997.db2.gz GWZFJSDSUNMFPN-INIZCTEOSA-N 0 1 397.494 3.405 20 10 GGCDMN COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000268814434 1434560376 /nfs/dbraw/zinc/56/03/76/1434560376.db2.gz JYSCESXRYHZSAF-CQSZACIVSA-N 0 1 389.427 3.430 20 10 GGCDMN C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419802 1434823284 /nfs/dbraw/zinc/82/32/84/1434823284.db2.gz BLTLPIGPAKCBLK-UTKZUKDTSA-N 0 1 397.494 3.114 20 10 GGCDMN CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000272689153 1434922816 /nfs/dbraw/zinc/92/28/16/1434922816.db2.gz CYLPINWTCMRNIG-PKOBYXMFSA-N 0 1 391.531 3.179 20 10 GGCDMN Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(C)c(C)c1O ZINC000274767160 1435090963 /nfs/dbraw/zinc/09/09/63/1435090963.db2.gz HSYCXLUALWNQAH-UHFFFAOYSA-N 0 1 378.425 3.142 20 10 GGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275410112 1435137328 /nfs/dbraw/zinc/13/73/28/1435137328.db2.gz CEZIANUTXZRNGY-UHFFFAOYSA-N 0 1 378.480 3.073 20 10 GGCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000277113066 1435263390 /nfs/dbraw/zinc/26/33/90/1435263390.db2.gz RTBMZKXFBBUFTR-ZHANPKHBSA-N 0 1 383.496 3.045 20 10 GGCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000277633474 1435317795 /nfs/dbraw/zinc/31/77/95/1435317795.db2.gz KMQVBJWVQAZVTH-UHFFFAOYSA-N 0 1 390.461 3.107 20 10 GGCDMN COc1c([O-])c(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278242836 1435373031 /nfs/dbraw/zinc/37/30/31/1435373031.db2.gz OEMRODNTHHHBPU-UHFFFAOYSA-N 0 1 399.447 3.046 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855035 1435431564 /nfs/dbraw/zinc/43/15/64/1435431564.db2.gz LLCIJYVAWMIKAL-DZGCQCFKSA-N 0 1 378.450 3.459 20 10 GGCDMN CN(C)c1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)c(C(F)(F)F)c1 ZINC000280096994 1435592236 /nfs/dbraw/zinc/59/22/36/1435592236.db2.gz BEPZRTCOGLMJDE-GOSISDBHSA-N 0 1 396.457 3.451 20 10 GGCDMN COc1cc(O)c(CN[C@H](CO)c2ccccc2OC(F)(F)F)cc1OC ZINC000280159132 1435601277 /nfs/dbraw/zinc/60/12/77/1435601277.db2.gz FDYOPKOYASRETJ-CYBMUJFWSA-N 0 1 387.354 3.131 20 10 GGCDMN CCOc1cccc(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280796019 1435722147 /nfs/dbraw/zinc/72/21/47/1435722147.db2.gz RPOHTXQBEUNWLR-HNAYVOBHSA-N 0 1 377.506 3.363 20 10 GGCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821110213 1441428715 /nfs/dbraw/zinc/42/87/15/1441428715.db2.gz YDODRLXCCWGIKN-ZDUSSCGKSA-N 0 1 398.467 3.021 20 10 GGCDMN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820413231 1441673279 /nfs/dbraw/zinc/67/32/79/1441673279.db2.gz PGSXJNTUBXVXTQ-GJZGRUSLSA-N 0 1 396.470 3.254 20 10 GGCDMN Cc1cccc2c(NCc3ccc(N4CCCC4)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000737410320 1446463363 /nfs/dbraw/zinc/46/33/63/1446463363.db2.gz RJFNNCGJZFBRDZ-UHFFFAOYSA-N 0 1 385.475 3.358 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000819834592 1449170575 /nfs/dbraw/zinc/17/05/75/1449170575.db2.gz ORQIZMPDCJMPIY-UHFFFAOYSA-N 0 1 383.427 3.325 20 10 GGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413230 1449513974 /nfs/dbraw/zinc/51/39/74/1449513974.db2.gz PGSXJNTUBXVXTQ-CABCVRRESA-N 0 1 396.470 3.254 20 10 GGCDMN COC1CCN(c2ccc(C[N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000846270743 955703333 /nfs/dbraw/zinc/70/33/33/955703333.db2.gz MGORJXKHMCUAQJ-JOCHJYFZSA-N 0 1 380.488 3.486 20 10 GGCDMN COc1c(O)c(C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001594048845 957959850 /nfs/dbraw/zinc/95/98/50/957959850.db2.gz VBERHWHNHINEQW-UHFFFAOYSA-N 0 1 386.404 3.387 20 10 GGCDMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001588674327 960528735 /nfs/dbraw/zinc/52/87/35/960528735.db2.gz BEAZXYZJNHPLPH-AWEZNQCLSA-N 0 1 396.459 3.065 20 10 GGCDMN C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844208696 979359747 /nfs/dbraw/zinc/35/97/47/979359747.db2.gz GBIMTUBRKLCOIL-SIJIIQCFSA-N 0 1 381.432 3.403 20 10 GGCDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000846261929 979431885 /nfs/dbraw/zinc/43/18/85/979431885.db2.gz SPAZBQQKMACOMR-IBGZPJMESA-N 0 1 384.476 3.344 20 10 GGCDMN COC1CCN(c2ccc(C[N@@H+](CCc3ccccc3)CC(=O)[O-])cc2)CC1 ZINC000846269823 979435061 /nfs/dbraw/zinc/43/50/61/979435061.db2.gz QDQKHJOXXHXHCT-UHFFFAOYSA-N 0 1 382.504 3.431 20 10 GGCDMN Cc1cc(C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1N1CCCCC1 ZINC000846280240 979448785 /nfs/dbraw/zinc/44/87/85/979448785.db2.gz VXYCGKUVZUEVJR-GOSISDBHSA-N 0 1 383.496 3.112 20 10 GGCDMN C[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000901578608 980390741 /nfs/dbraw/zinc/39/07/41/980390741.db2.gz AIUDVOISRBRVGE-LJQANCHMSA-N 0 1 381.520 3.161 20 10 GGCDMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000901578608 980390749 /nfs/dbraw/zinc/39/07/49/980390749.db2.gz AIUDVOISRBRVGE-LJQANCHMSA-N 0 1 381.520 3.161 20 10 GGCDMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccc(N2CCN(C)CC2)cc1 ZINC001595363206 980779843 /nfs/dbraw/zinc/77/98/43/980779843.db2.gz YBSBKDIAWCIXAF-JOCHJYFZSA-N 0 1 381.520 3.476 20 10 GGCDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCN(C)CC2)cc1 ZINC001595363206 980779847 /nfs/dbraw/zinc/77/98/47/980779847.db2.gz YBSBKDIAWCIXAF-JOCHJYFZSA-N 0 1 381.520 3.476 20 10 GGCDMN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910344020 981882060 /nfs/dbraw/zinc/88/20/60/981882060.db2.gz NLWIZQXOHGIBJZ-IZTUGPKFSA-N 0 1 381.432 3.403 20 10 GGCDMN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368958 982386564 /nfs/dbraw/zinc/38/65/64/982386564.db2.gz IOAXXPONZSGEBO-IXDOHACOSA-N 0 1 394.899 3.017 20 10 GGCDMN CCCC[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC001595749253 982421901 /nfs/dbraw/zinc/42/19/01/982421901.db2.gz UPWZPPBEPOMLBY-OAHLLOKOSA-N 0 1 391.489 3.033 20 10 GGCDMN CCN(C)c1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cc1 ZINC001596194919 983578107 /nfs/dbraw/zinc/57/81/07/983578107.db2.gz XNEQFWDHPLKIET-SFHVURJKSA-N 0 1 391.512 3.039 20 10 GGCDMN CCOC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC001596854631 985600126 /nfs/dbraw/zinc/60/01/26/985600126.db2.gz GHZDUGOXPXVWSE-UHFFFAOYSA-N 0 1 384.476 3.476 20 10 GGCDMN CC(C)(C)OC(=O)N1CC(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001589924957 988665232 /nfs/dbraw/zinc/66/52/32/988665232.db2.gz DWNBVYORJLPJMR-UHFFFAOYSA-N 0 1 398.887 3.189 20 10 GGCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1)C(N)=O ZINC001590654547 990347168 /nfs/dbraw/zinc/34/71/68/990347168.db2.gz PAPFDCUVMMIZMA-AWEZNQCLSA-N 0 1 384.476 3.357 20 10 GGCDMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001598498725 992398932 /nfs/dbraw/zinc/39/89/32/992398932.db2.gz KYRPKXVTHFGUOY-IZZDOVSWSA-N 0 1 396.487 3.132 20 10 GGCDMN C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501854 992445302 /nfs/dbraw/zinc/44/53/02/992445302.db2.gz NMCCBBNQOZKGRB-RQMBKDMJSA-N 0 1 395.459 3.446 20 10 GGCDMN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501852 992445314 /nfs/dbraw/zinc/44/53/14/992445314.db2.gz NMCCBBNQOZKGRB-LHUXKHBRSA-N 0 1 395.459 3.446 20 10 GGCDMN C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298817 994716382 /nfs/dbraw/zinc/71/63/82/994716382.db2.gz NCEWIYRBYRTJRB-INIZCTEOSA-N 0 1 383.492 3.361 20 10 GGCDMN C[C@H](Oc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1)C(=O)[O-] ZINC001593617948 995855444 /nfs/dbraw/zinc/85/54/44/995855444.db2.gz RIJKPYVSCHOHCN-NSHDSACASA-N 0 1 380.238 3.296 20 10 GGCDMN C[C@@H](Oc1ccccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-] ZINC001593645192 995971690 /nfs/dbraw/zinc/97/16/90/995971690.db2.gz QDRHNOLWWJBUFB-VQIMIIECSA-N 0 1 385.460 3.425 20 10 GGCDMN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1O ZINC001599420663 997589353 /nfs/dbraw/zinc/58/93/53/997589353.db2.gz NXDQQAAFIULWNM-JKSUJKDBSA-N 0 1 377.824 3.060 20 10 GGCDMN COc1c(O)c(C[NH2+]CCc2cc3ccc(C(=O)[O-])cc3o2)ccc1[N+](=O)[O-] ZINC001599345434 997997185 /nfs/dbraw/zinc/99/71/85/997997185.db2.gz KXMMXSXBDIXIFC-UHFFFAOYSA-N 0 1 386.360 3.086 20 10 GGCDMN COc1cc(Br)cc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001599346763 998020486 /nfs/dbraw/zinc/02/04/86/998020486.db2.gz UEEGAWSCFSABLT-UHFFFAOYSA-N 0 1 384.226 3.395 20 10 GGCDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cccc(F)c1O)CC2 ZINC001599465828 998358722 /nfs/dbraw/zinc/35/87/22/998358722.db2.gz PSBDLYZPFNWFQS-MRXNPFEDSA-N 0 1 375.396 3.123 20 10 GGCDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001599465828 998358733 /nfs/dbraw/zinc/35/87/33/998358733.db2.gz PSBDLYZPFNWFQS-MRXNPFEDSA-N 0 1 375.396 3.123 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000011853437 221132702 /nfs/dbraw/zinc/13/27/02/221132702.db2.gz FMFJHPQDFGYALZ-UHFFFAOYSA-N 0 1 381.520 3.254 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000012557371 221206845 /nfs/dbraw/zinc/20/68/45/221206845.db2.gz VWGFYINBNOZXTP-UHFFFAOYSA-N 0 1 382.508 3.337 20 10 GGCDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037944 564699020 /nfs/dbraw/zinc/69/90/20/564699020.db2.gz AQELRGZKUSFZKO-ASCAZGACSA-N 0 1 399.148 3.116 20 10 GGCDMN O=C(C1CC1)N1CCN(Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000023732264 564326245 /nfs/dbraw/zinc/32/62/45/564326245.db2.gz RQHAMDHACMEUIP-UHFFFAOYSA-N 0 1 389.293 3.362 20 10 GGCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1cccc(Br)c1 ZINC000072306696 564861729 /nfs/dbraw/zinc/86/17/29/564861729.db2.gz NQODYERALCOUBC-NSHDSACASA-N 0 1 388.269 3.466 20 10 GGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCN(Cc3cscn3)CC2)c1[O-] ZINC000093015953 564883531 /nfs/dbraw/zinc/88/35/31/564883531.db2.gz WTYKNMLOEJNAKU-UHFFFAOYSA-N 0 1 382.873 3.118 20 10 GGCDMN Cc1cc(Br)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154996641 565059191 /nfs/dbraw/zinc/05/91/91/565059191.db2.gz WJVSNJFVGRIBSX-MRXNPFEDSA-N 0 1 398.322 3.339 20 10 GGCDMN CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Br)ccc1[O-] ZINC000156073794 565074816 /nfs/dbraw/zinc/07/48/16/565074816.db2.gz WLVZHEMROSYMTA-INIZCTEOSA-N 0 1 393.281 3.260 20 10 GGCDMN CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000157499140 565133760 /nfs/dbraw/zinc/13/37/60/565133760.db2.gz UPJPFBZTFYUHDX-DZGCQCFKSA-N 0 1 386.286 3.118 20 10 GGCDMN CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000157498853 565133801 /nfs/dbraw/zinc/13/38/01/565133801.db2.gz UPJPFBZTFYUHDX-UKRRQHHQSA-N 0 1 386.286 3.118 20 10 GGCDMN CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000157498984 565133880 /nfs/dbraw/zinc/13/38/80/565133880.db2.gz UPJPFBZTFYUHDX-ZFWWWQNUSA-N 0 1 386.286 3.118 20 10 GGCDMN Cc1cc(CNCc2cc(Br)cc(C)c2O)nc(N2CCCC2)n1 ZINC000292823086 565135806 /nfs/dbraw/zinc/13/58/06/565135806.db2.gz QEZAULDZJATTIG-UHFFFAOYSA-N 0 1 391.313 3.452 20 10 GGCDMN C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000184986059 565169383 /nfs/dbraw/zinc/16/93/83/565169383.db2.gz VYJLEJUTIOIGPU-CYBMUJFWSA-N 0 1 392.297 3.237 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccnc(Br)c1 ZINC000293514035 565172860 /nfs/dbraw/zinc/17/28/60/565172860.db2.gz OLZDCRQMISCZFU-UHFFFAOYSA-N 0 1 376.298 3.313 20 10 GGCDMN COc1cc(O)c(C[N@@H+](C)C[C@H](O)c2ccccc2Br)cc1OC ZINC000294806525 565229598 /nfs/dbraw/zinc/22/95/98/565229598.db2.gz IXLQGIBFEBLTRK-INIZCTEOSA-N 0 1 396.281 3.337 20 10 GGCDMN COc1cc(O)c(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)cc1OC ZINC000294806526 565229631 /nfs/dbraw/zinc/22/96/31/565229631.db2.gz IXLQGIBFEBLTRK-MRXNPFEDSA-N 0 1 396.281 3.337 20 10 GGCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000187020962 565303181 /nfs/dbraw/zinc/30/31/81/565303181.db2.gz YDNJAYBGEFZXCM-UHFFFAOYSA-N 0 1 377.388 3.384 20 10 GGCDMN COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273431192 565320079 /nfs/dbraw/zinc/32/00/79/565320079.db2.gz VSYWTBHTZBXMDY-LBPRGKRZSA-N 0 1 381.270 3.426 20 10 GGCDMN C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000273455229 565321194 /nfs/dbraw/zinc/32/11/94/565321194.db2.gz GYYVFBVQDIMLIW-QITLCBANSA-N 0 1 380.282 3.290 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cc1[O-] ZINC000273437550 565321386 /nfs/dbraw/zinc/32/13/86/565321386.db2.gz XMCQAUZBHWEYDB-NSHDSACASA-N 0 1 399.310 3.377 20 10 GGCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000273533175 565324912 /nfs/dbraw/zinc/32/49/12/565324912.db2.gz WTMBBOQCFNEGIA-XGWLTEMNSA-N 0 1 380.282 3.290 20 10 GGCDMN C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Br)cc1[O-] ZINC000273587048 565326569 /nfs/dbraw/zinc/32/65/69/565326569.db2.gz OBEUEAIQGXNQEL-CQSZACIVSA-N 0 1 383.330 3.450 20 10 GGCDMN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)ccc1[O-] ZINC000277110546 565476608 /nfs/dbraw/zinc/47/66/08/565476608.db2.gz MLCCQVGVPXRMSJ-LBPRGKRZSA-N 0 1 377.286 3.264 20 10 GGCDMN CC(C)(C)[NH+]1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277317022 565489125 /nfs/dbraw/zinc/48/91/25/565489125.db2.gz DELPDXCFYQABMX-UHFFFAOYSA-N 0 1 384.318 3.217 20 10 GGCDMN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000279682014 565626588 /nfs/dbraw/zinc/62/65/88/565626588.db2.gz JCHUNWCVOODWGC-VIFPVBQESA-N 0 1 382.214 3.317 20 10 GGCDMN CCOCc1cc(CNCc2ccc(S(=O)(=O)CC)s2)ccc1OC ZINC000280566168 565681653 /nfs/dbraw/zinc/68/16/53/565681653.db2.gz LHCDNPFYTOXJIW-UHFFFAOYSA-N 0 1 383.535 3.377 20 10 GGCDMN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Br)cc1[O-] ZINC000285553888 565914760 /nfs/dbraw/zinc/91/47/60/565914760.db2.gz FFKNBKXTAFNSMC-NSHDSACASA-N 0 1 376.316 3.163 20 10 GGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000286911021 565985814 /nfs/dbraw/zinc/98/58/14/565985814.db2.gz FBEPWTSCCOQLKS-SMDDNHRTSA-N 0 1 376.316 3.020 20 10 GGCDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1[O-] ZINC000363854007 566024254 /nfs/dbraw/zinc/02/42/54/566024254.db2.gz LMLVRBGYWAMDED-XHDPSFHLSA-N 0 1 380.286 3.072 20 10 GGCDMN Cc1cc(Br)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289786768 566140907 /nfs/dbraw/zinc/14/09/07/566140907.db2.gz RVTNLIRZZVBBSI-DGCLKSJQSA-N 0 1 382.220 3.456 20 10 GGCDMN O=S(=O)(c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1)N1CCCC1 ZINC000264937108 566228265 /nfs/dbraw/zinc/22/82/65/566228265.db2.gz DONIJJYTXBKBAH-UHFFFAOYSA-N 0 1 380.897 3.120 20 10 GGCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000183370906 566245482 /nfs/dbraw/zinc/24/54/82/566245482.db2.gz PJXVKNQMOCZOPN-SECBINFHSA-N 0 1 379.092 3.122 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3OC)CC2)cc1 ZINC000004791734 570992698 /nfs/dbraw/zinc/99/26/98/570992698.db2.gz OQMRGCRGGAOMRB-UHFFFAOYSA-N 0 1 398.507 3.038 20 10 GGCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736950933 599782793 /nfs/dbraw/zinc/78/27/93/599782793.db2.gz BARLPTNVUKUCII-HNNXBMFYSA-N 0 1 384.476 3.372 20 10 GGCDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736280995 600077721 /nfs/dbraw/zinc/07/77/21/600077721.db2.gz JNFRRISOBWXTQG-CQSZACIVSA-N 0 1 386.448 3.343 20 10 GGCDMN O=C([O-])C[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1cc(Cl)ccc1O ZINC000739786493 600144990 /nfs/dbraw/zinc/14/49/90/600144990.db2.gz ZUJSYXLZWIWTIY-UHFFFAOYSA-N 0 1 380.803 3.100 20 10 GGCDMN O=C([O-])C[N@H+](CCC(=O)Nc1ccccc1F)Cc1cc(Cl)ccc1O ZINC000739784479 600145102 /nfs/dbraw/zinc/14/51/02/600145102.db2.gz DWPDPJYNQQYWBB-UHFFFAOYSA-N 0 1 380.803 3.100 20 10 GGCDMN O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(CCN3CCOCC3)CC2)c1O ZINC000740097590 600426546 /nfs/dbraw/zinc/42/65/46/600426546.db2.gz MUFDTIOCPOYTEZ-UHFFFAOYSA-N 0 1 398.503 3.178 20 10 GGCDMN COCC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC000737752152 600501575 /nfs/dbraw/zinc/50/15/75/600501575.db2.gz SWCMPOBBXUSTQY-UHFFFAOYSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)CN2CC[NH+](C3CCC3)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738318355 600508367 /nfs/dbraw/zinc/50/83/67/600508367.db2.gz GTUPOAKESBRPBZ-UHFFFAOYSA-N 0 1 395.503 3.145 20 10 GGCDMN C[N@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000737397233 600914338 /nfs/dbraw/zinc/91/43/38/600914338.db2.gz QFHRKIFFIXKSFP-UHFFFAOYSA-N 0 1 381.476 3.446 20 10 GGCDMN C[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000737397233 600914339 /nfs/dbraw/zinc/91/43/39/600914339.db2.gz QFHRKIFFIXKSFP-UHFFFAOYSA-N 0 1 381.476 3.446 20 10 GGCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](CCC(=O)[O-])Cc2ccncc2)c1O ZINC000831353084 601560304 /nfs/dbraw/zinc/56/03/04/601560304.db2.gz AUZZDGNOCQHTEG-UHFFFAOYSA-N 0 1 394.427 3.204 20 10 GGCDMN CC[N@H+](CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C)C[C@@H]1CCOC1 ZINC000829635662 601594495 /nfs/dbraw/zinc/59/44/95/601594495.db2.gz NZKSQSDZBCFKMZ-KRWDZBQOSA-N 0 1 384.476 3.333 20 10 GGCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@H]2CCCO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832860049 601595686 /nfs/dbraw/zinc/59/56/86/601595686.db2.gz YCPXTSDZSJLBRW-SFHVURJKSA-N 0 1 384.476 3.212 20 10 GGCDMN Cc1cc(C(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859580 601596274 /nfs/dbraw/zinc/59/62/74/601596274.db2.gz UCLHMLAHRWDRBR-MGPUTAFESA-N 0 1 397.519 3.390 20 10 GGCDMN COC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1F ZINC000831379424 601633998 /nfs/dbraw/zinc/63/39/98/601633998.db2.gz OTNXJRBQQAJIAO-UHFFFAOYSA-N 0 1 381.787 3.058 20 10 GGCDMN C[C@H](Oc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000833537572 604519041 /nfs/dbraw/zinc/51/90/41/604519041.db2.gz LSGOSSHBSACMGP-OXJNMPFZSA-N 0 1 385.460 3.425 20 10 GGCDMN C[C@@H](Oc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000833536996 604523489 /nfs/dbraw/zinc/52/34/89/604523489.db2.gz FRRYWYBQAQPPRI-QGZVFWFLSA-N 0 1 384.476 3.007 20 10 GGCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694949 604675851 /nfs/dbraw/zinc/67/58/51/604675851.db2.gz FUUQOMZHVJVZNJ-IBGZPJMESA-N 0 1 394.393 3.198 20 10 GGCDMN COc1cc(Br)cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1O ZINC000831861359 604680825 /nfs/dbraw/zinc/68/08/25/604680825.db2.gz WXOPBPLWKBTIDC-GDLCADMTSA-N 0 1 384.270 3.381 20 10 GGCDMN C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694298 604775935 /nfs/dbraw/zinc/77/59/35/604775935.db2.gz PIRZYHGVRCVAIJ-INIZCTEOSA-N 0 1 394.221 3.141 20 10 GGCDMN O=C([O-])c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000833311123 604916296 /nfs/dbraw/zinc/91/62/96/604916296.db2.gz URSWFCZNXRMDJW-ZDUSSCGKSA-N 0 1 394.880 3.200 20 10 GGCDMN O=C([O-])c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000833311123 604916301 /nfs/dbraw/zinc/91/63/01/604916301.db2.gz URSWFCZNXRMDJW-ZDUSSCGKSA-N 0 1 394.880 3.200 20 10 GGCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1[O-] ZINC000824010352 608530298 /nfs/dbraw/zinc/53/02/98/608530298.db2.gz KCYMSJMEAJMONB-UHFFFAOYSA-N 0 1 383.839 3.207 20 10 GGCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000053774306 1406508452 /nfs/dbraw/zinc/50/84/52/1406508452.db2.gz UMPHZILXYNJCCL-QGZVFWFLSA-N 0 1 399.560 3.242 20 10 GGCDMN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)n3)c2C)cc1 ZINC000006533174 1398557352 /nfs/dbraw/zinc/55/73/52/1398557352.db2.gz QBENLALPHAELNJ-UHFFFAOYSA-N 0 1 397.504 3.422 20 10 GGCDMN CCOc1ccc2nc(SCC(=O)NCc3ccc(N(C)C)cc3)[nH]c2c1 ZINC000007896802 1398768528 /nfs/dbraw/zinc/76/85/28/1398768528.db2.gz ADDLWDVUILMGLH-UHFFFAOYSA-N 0 1 384.505 3.436 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000008562388 1398840547 /nfs/dbraw/zinc/84/05/47/1398840547.db2.gz NBLCLZZDCLNJOC-UHFFFAOYSA-N 0 1 399.495 3.428 20 10 GGCDMN Cc1cc(C(=O)CSc2nnc(C)[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000011700271 1399005760 /nfs/dbraw/zinc/00/57/60/1399005760.db2.gz BQEPBXAIRFOCJT-UHFFFAOYSA-N 0 1 384.461 3.267 20 10 GGCDMN Cc1cc(C(=O)CSc2nc(C)n[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000011700271 1399005765 /nfs/dbraw/zinc/00/57/65/1399005765.db2.gz BQEPBXAIRFOCJT-UHFFFAOYSA-N 0 1 384.461 3.267 20 10 GGCDMN CCOc1ccccc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000011853387 1399015161 /nfs/dbraw/zinc/01/51/61/1399015161.db2.gz FAPZYCGQQRSUQU-UHFFFAOYSA-N 0 1 397.519 3.036 20 10 GGCDMN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571779 1399173066 /nfs/dbraw/zinc/17/30/66/1399173066.db2.gz FGXVLFRRYZLPTA-IBGZPJMESA-N 0 1 381.520 3.175 20 10 GGCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000021997219 1399429963 /nfs/dbraw/zinc/42/99/63/1399429963.db2.gz YCESRMLRKDRODJ-UHFFFAOYSA-N 0 1 391.471 3.029 20 10 GGCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)N4CCCCC4)CC3)c2c1 ZINC000026246624 1399872775 /nfs/dbraw/zinc/87/27/75/1399872775.db2.gz JSNPUDCYSSAEPN-UHFFFAOYSA-N 0 1 383.492 3.278 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000029705614 1400339839 /nfs/dbraw/zinc/33/98/39/1400339839.db2.gz LVGJEDHVTNVGTG-UHFFFAOYSA-N 0 1 385.483 3.085 20 10 GGCDMN CC[C@@H]1CCCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000045126671 1404059059 /nfs/dbraw/zinc/05/90/59/1404059059.db2.gz FEGFQRUUVKOMOB-LJQANCHMSA-N 0 1 388.556 3.039 20 10 GGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045756300 1404196015 /nfs/dbraw/zinc/19/60/15/1404196015.db2.gz DNEYGJPXQRQXBR-UHFFFAOYSA-N 0 1 395.551 3.344 20 10 GGCDMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000045787371 1404204653 /nfs/dbraw/zinc/20/46/53/1404204653.db2.gz FXRHVMSWKBEVCC-HDICACEKSA-N 0 1 397.519 3.343 20 10 GGCDMN O=C(CN1CCC[C@@H]1c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051180592 1405738453 /nfs/dbraw/zinc/73/84/53/1405738453.db2.gz ZJCFFILNIUUPCE-OAQYLSRUSA-N 0 1 397.494 3.116 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000064754073 1408608307 /nfs/dbraw/zinc/60/83/07/1408608307.db2.gz XWQHCRSWCWPRIR-OAQYLSRUSA-N 0 1 388.556 3.037 20 10 GGCDMN CCCN(Cc1ccccc1O)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000066699045 1408889189 /nfs/dbraw/zinc/88/91/89/1408889189.db2.gz UUUQKWSSZGQYFP-UHFFFAOYSA-N 0 1 382.508 3.373 20 10 GGCDMN Clc1ccc(C2=CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CC2)cn1 ZINC000826351409 1428392389 /nfs/dbraw/zinc/39/23/89/1428392389.db2.gz LRLLRZJGFDMNHY-UHFFFAOYSA-N 0 1 393.882 3.483 20 10 GGCDMN CCCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1O ZINC000068973699 1409536385 /nfs/dbraw/zinc/53/63/85/1409536385.db2.gz ZPSYOEMIOBKMEW-UHFFFAOYSA-N 0 1 378.270 3.400 20 10 GGCDMN O=c1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000070975917 1409809323 /nfs/dbraw/zinc/80/93/23/1409809323.db2.gz PYRFBEHBARTFSP-SFHVURJKSA-N 0 1 399.878 3.235 20 10 GGCDMN COc1ccccc1CN(CCO)Cc1cc(Br)cc(OC)c1O ZINC000091790172 1410080767 /nfs/dbraw/zinc/08/07/67/1410080767.db2.gz INJNFWZDQYFKSH-UHFFFAOYSA-N 0 1 396.281 3.166 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4)cc2F)CC1 ZINC000092164036 1410114696 /nfs/dbraw/zinc/11/46/96/1410114696.db2.gz XSXJFFFOZKNDFC-UHFFFAOYSA-N 0 1 398.482 3.320 20 10 GGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])C[C@@H](C)O1 ZINC000092506732 1410163720 /nfs/dbraw/zinc/16/37/20/1410163720.db2.gz RGKRGZJOWMEEEP-FMKPAKJESA-N 0 1 383.330 3.228 20 10 GGCDMN CN(C)c1ccc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)cc1 ZINC000092511811 1410164645 /nfs/dbraw/zinc/16/46/45/1410164645.db2.gz VGUFPPJUPMWWGC-UHFFFAOYSA-N 0 1 376.522 3.057 20 10 GGCDMN O=C(Oc1ccccc1)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092938994 1410211157 /nfs/dbraw/zinc/21/11/57/1410211157.db2.gz HTHXDXIYIKUEQJ-UHFFFAOYSA-N 0 1 395.503 3.230 20 10 GGCDMN O=c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000176798296 1428465822 /nfs/dbraw/zinc/46/58/22/1428465822.db2.gz IJIGQVMZVMETOW-GOSISDBHSA-N 0 1 381.428 3.385 20 10 GGCDMN O=c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000176798296 1428465826 /nfs/dbraw/zinc/46/58/26/1428465826.db2.gz IJIGQVMZVMETOW-GOSISDBHSA-N 0 1 381.428 3.385 20 10 GGCDMN COCCCOC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093561306 1410253942 /nfs/dbraw/zinc/25/39/42/1410253942.db2.gz ADQAHNIQJUKHMB-UHFFFAOYSA-N 0 1 388.302 3.181 20 10 GGCDMN CCc1nsc(N2CCCN(Cc3cc(Br)ccc3O)CC2)n1 ZINC000093871433 1410277470 /nfs/dbraw/zinc/27/74/70/1410277470.db2.gz DRWXTKRTMFSDBS-UHFFFAOYSA-N 0 1 397.342 3.281 20 10 GGCDMN Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000097288536 1410363679 /nfs/dbraw/zinc/36/36/79/1410363679.db2.gz FZLUULQJYTWHIN-QHCPKHFHSA-N 0 1 396.579 3.404 20 10 GGCDMN COc1ccc(N2CCN(CCCNc3ncnc4cccc(F)c43)CC2)cc1 ZINC000097497483 1410372503 /nfs/dbraw/zinc/37/25/03/1410372503.db2.gz NUEPJRFMBGMOCX-UHFFFAOYSA-N 0 1 395.482 3.402 20 10 GGCDMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N2CCCC2)o1 ZINC000101620920 1410481511 /nfs/dbraw/zinc/48/15/11/1410481511.db2.gz JCTPQRXEHIMFNP-LJQANCHMSA-N 0 1 388.487 3.429 20 10 GGCDMN Cc1ccc([C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N2CCCC2)o1 ZINC000101620924 1410481534 /nfs/dbraw/zinc/48/15/34/1410481534.db2.gz JCTPQRXEHIMFNP-IBGZPJMESA-N 0 1 388.487 3.429 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000103515626 1410865724 /nfs/dbraw/zinc/86/57/24/1410865724.db2.gz SBXBLVRFVNRUGW-CRAIPNDOSA-N 0 1 387.480 3.500 20 10 GGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000103515623 1410865817 /nfs/dbraw/zinc/86/58/17/1410865817.db2.gz SBXBLVRFVNRUGW-MAUKXSAKSA-N 0 1 387.480 3.500 20 10 GGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000103515627 1410865835 /nfs/dbraw/zinc/86/58/35/1410865835.db2.gz SBXBLVRFVNRUGW-QAPCUYQASA-N 0 1 387.480 3.500 20 10 GGCDMN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000105388120 1411061004 /nfs/dbraw/zinc/06/10/04/1411061004.db2.gz NXZCCOJXNQBXLQ-UHFFFAOYSA-N 0 1 388.468 3.246 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccnn3C(C)C)cc2F)CC1 ZINC000106506604 1411226401 /nfs/dbraw/zinc/22/64/01/1411226401.db2.gz ZCRKDCPWZHOABC-UHFFFAOYSA-N 0 1 388.491 3.067 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3nc(C)cs3)cc2F)CC1 ZINC000106506600 1411226436 /nfs/dbraw/zinc/22/64/36/1411226436.db2.gz ZTBPJKZEBZCNRD-UHFFFAOYSA-N 0 1 377.489 3.054 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCc4ccccc43)cc2F)CC1 ZINC000106584807 1411258059 /nfs/dbraw/zinc/25/80/59/1411258059.db2.gz FODPKTFCSSTQQH-UHFFFAOYSA-N 0 1 382.483 3.240 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCc3ccccc3OC)cc2F)CC1 ZINC000106702072 1411280119 /nfs/dbraw/zinc/28/01/19/1411280119.db2.gz GWIQSNYJTWYMBP-UHFFFAOYSA-N 0 1 399.510 3.225 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(OC)cc3F)cc2F)CC1 ZINC000106702181 1411280360 /nfs/dbraw/zinc/28/03/60/1411280360.db2.gz MYWGRPPXTILVKS-UHFFFAOYSA-N 0 1 389.446 3.045 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccccc3COC)cc2F)CC1 ZINC000106702461 1411280657 /nfs/dbraw/zinc/28/06/57/1411280657.db2.gz NMIIUZKLXINITI-UHFFFAOYSA-N 0 1 385.483 3.044 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)Oc3ccccc3)cc2F)CC1 ZINC000106702639 1411280727 /nfs/dbraw/zinc/28/07/27/1411280727.db2.gz HPVZZMGPBYAYPX-KRWDZBQOSA-N 0 1 385.483 3.051 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C(C)=O)cs3)cc2F)CC1 ZINC000106702814 1411280762 /nfs/dbraw/zinc/28/07/62/1411280762.db2.gz YJBSSEWBHXGCSV-UHFFFAOYSA-N 0 1 389.496 3.162 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)OCCC(C)C)cc2F)CC1 ZINC000106702583 1411281217 /nfs/dbraw/zinc/28/12/17/1411281217.db2.gz PJAISTOOUCGIQD-QGZVFWFLSA-N 0 1 379.520 3.035 20 10 GGCDMN CCN1CCN([C@@H]2CCN(C(=O)c3sccc3-n3c(C)ccc3C)C2)CC1 ZINC000106805893 1411304404 /nfs/dbraw/zinc/30/44/04/1411304404.db2.gz YMZBUBYCHCAXNA-GOSISDBHSA-N 0 1 386.565 3.008 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2F)CC1 ZINC000106829835 1411308344 /nfs/dbraw/zinc/30/83/44/1411308344.db2.gz NIOXBVFZUOLHGL-UHFFFAOYSA-N 0 1 397.494 3.247 20 10 GGCDMN COc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c([O-])c1 ZINC000108954263 1411648259 /nfs/dbraw/zinc/64/82/59/1411648259.db2.gz KEOOMFDWTHEYRY-UHFFFAOYSA-N 0 1 381.476 3.185 20 10 GGCDMN CC(C)[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc2c(c1)OCCCO2 ZINC000109771662 1411808997 /nfs/dbraw/zinc/80/89/97/1411808997.db2.gz IBRVKMZKHAPSSR-HSZRJFAPSA-N 0 1 398.503 3.499 20 10 GGCDMN COc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)c(OC)c1 ZINC000109772003 1411809351 /nfs/dbraw/zinc/80/93/51/1411809351.db2.gz PMMPZLVJEHPXPV-LJQANCHMSA-N 0 1 384.476 3.205 20 10 GGCDMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000109773683 1411809521 /nfs/dbraw/zinc/80/95/21/1411809521.db2.gz ZUBDBJLEBOHIJS-MRXNPFEDSA-N 0 1 383.492 3.333 20 10 GGCDMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)c1 ZINC000109773489 1411809538 /nfs/dbraw/zinc/80/95/38/1411809538.db2.gz HYTKKHGHBKVSFB-LJQANCHMSA-N 0 1 384.476 3.205 20 10 GGCDMN CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1O ZINC000111235145 1411896981 /nfs/dbraw/zinc/89/69/81/1411896981.db2.gz JRBYAXPJCTUKHM-IBGZPJMESA-N 0 1 396.487 3.349 20 10 GGCDMN COc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)cc1OC ZINC000111235698 1411896985 /nfs/dbraw/zinc/89/69/85/1411896985.db2.gz KOMIACQBVSKKKV-GOSISDBHSA-N 0 1 384.476 3.205 20 10 GGCDMN CN(CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1ccccc1O ZINC000111235608 1411897074 /nfs/dbraw/zinc/89/70/74/1411897074.db2.gz YAQPCWPRVMEHFA-UHFFFAOYSA-N 0 1 382.382 3.082 20 10 GGCDMN COc1cccc(CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)c1O ZINC000111597770 1411998773 /nfs/dbraw/zinc/99/87/73/1411998773.db2.gz YBNXCTRWIIEWIH-KRWDZBQOSA-N 0 1 382.504 3.360 20 10 GGCDMN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000112914918 1412237859 /nfs/dbraw/zinc/23/78/59/1412237859.db2.gz VSMKLMRIEWKJBN-JOCHJYFZSA-N 0 1 382.552 3.096 20 10 GGCDMN CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113314749 1412291417 /nfs/dbraw/zinc/29/14/17/1412291417.db2.gz RCHKGCRDUZIBNT-UHFFFAOYSA-N 0 1 382.913 3.366 20 10 GGCDMN COc1ccc(O)c(CNC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c1 ZINC000114541635 1412456099 /nfs/dbraw/zinc/45/60/99/1412456099.db2.gz SMMWWEGPNNBCCX-UHFFFAOYSA-N 0 1 397.500 3.432 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc[nH]3)cc2F)CC1 ZINC000114961903 1412556936 /nfs/dbraw/zinc/55/69/36/1412556936.db2.gz TUNUTQTZEUNGGE-OAQYLSRUSA-N 0 1 399.514 3.342 20 10 GGCDMN CN(C)c1ccc(CNC(=O)CSc2nc(C=Cc3ccccc3)n[nH]2)cc1 ZINC000115485502 1412689186 /nfs/dbraw/zinc/68/91/86/1412689186.db2.gz RDXAYCIEUXJKGW-JLHYYAGUSA-N 0 1 393.516 3.450 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000119001794 1413300199 /nfs/dbraw/zinc/30/01/99/1413300199.db2.gz AHOOLBOEXVDFEN-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000119001794 1413300208 /nfs/dbraw/zinc/30/02/08/1413300208.db2.gz AHOOLBOEXVDFEN-UHFFFAOYSA-N 0 1 398.478 3.124 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000119395211 1413433447 /nfs/dbraw/zinc/43/34/47/1413433447.db2.gz FIQCUDSSIJHDDO-UHFFFAOYSA-N 0 1 395.425 3.491 20 10 GGCDMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120863091 1413930506 /nfs/dbraw/zinc/93/05/06/1413930506.db2.gz GTXGHRGVRYPGOO-HXUWFJFHSA-N 0 1 395.547 3.392 20 10 GGCDMN CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120863262 1413930544 /nfs/dbraw/zinc/93/05/44/1413930544.db2.gz GTXGHRGVRYPGOO-FQEVSTJZSA-N 0 1 395.547 3.392 20 10 GGCDMN CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120863262 1413930548 /nfs/dbraw/zinc/93/05/48/1413930548.db2.gz GTXGHRGVRYPGOO-FQEVSTJZSA-N 0 1 395.547 3.392 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000121195534 1414040837 /nfs/dbraw/zinc/04/08/37/1414040837.db2.gz QJUIMTFUGADSFW-RBUKOAKNSA-N 0 1 388.556 3.085 20 10 GGCDMN O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000121215679 1414046329 /nfs/dbraw/zinc/04/63/29/1414046329.db2.gz OVYQNNZVZDOBHN-UHFFFAOYSA-N 0 1 389.839 3.302 20 10 GGCDMN O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000121215679 1414046333 /nfs/dbraw/zinc/04/63/33/1414046333.db2.gz OVYQNNZVZDOBHN-UHFFFAOYSA-N 0 1 389.839 3.302 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000738400092 1428779929 /nfs/dbraw/zinc/77/99/29/1428779929.db2.gz CDMDTINCIJMIGP-UHFFFAOYSA-N 0 1 379.464 3.396 20 10 GGCDMN Oc1ccccc1C[N@H+](CCOc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000738400092 1428779934 /nfs/dbraw/zinc/77/99/34/1428779934.db2.gz CDMDTINCIJMIGP-UHFFFAOYSA-N 0 1 379.464 3.396 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000738400092 1428779941 /nfs/dbraw/zinc/77/99/41/1428779941.db2.gz CDMDTINCIJMIGP-UHFFFAOYSA-N 0 1 379.464 3.396 20 10 GGCDMN COc1ccc(N2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1F ZINC000122014054 1414340853 /nfs/dbraw/zinc/34/08/53/1414340853.db2.gz KCMLGWYVJRTMOD-UHFFFAOYSA-N 0 1 375.419 3.124 20 10 GGCDMN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000122216390 1414391753 /nfs/dbraw/zinc/39/17/53/1414391753.db2.gz OYRWLUWCHBVQOP-QZTJIDSGSA-N 0 1 388.533 3.036 20 10 GGCDMN CCOC(=O)c1ccc(N2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)nc1 ZINC000122282943 1414410953 /nfs/dbraw/zinc/41/09/53/1414410953.db2.gz YWJNZMATLDBHDA-UHFFFAOYSA-N 0 1 389.883 3.330 20 10 GGCDMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)nc1 ZINC000122282943 1414410955 /nfs/dbraw/zinc/41/09/55/1414410955.db2.gz YWJNZMATLDBHDA-UHFFFAOYSA-N 0 1 389.883 3.330 20 10 GGCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122935053 1414600716 /nfs/dbraw/zinc/60/07/16/1414600716.db2.gz YSAXDQHMYZGAEZ-AWEZNQCLSA-N 0 1 376.497 3.462 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3c(F)ccc(F)c3F)cc2F)CC1 ZINC000123530987 1414764764 /nfs/dbraw/zinc/76/47/64/1414764764.db2.gz ZZBXKEUUSYYVIE-UHFFFAOYSA-N 0 1 395.400 3.315 20 10 GGCDMN CC[N@@H+](CCc1ccccc1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000124042912 1414874688 /nfs/dbraw/zinc/87/46/88/1414874688.db2.gz JUNOAWMCEPDHRE-UHFFFAOYSA-N 0 1 396.531 3.492 20 10 GGCDMN O=C(CCC[NH2+]Cc1cc(Cl)ccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000124152884 1414896629 /nfs/dbraw/zinc/89/66/29/1414896629.db2.gz JUJCMDKGLJAGMV-UHFFFAOYSA-N 0 1 387.911 3.264 20 10 GGCDMN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000177884911 1428883316 /nfs/dbraw/zinc/88/33/16/1428883316.db2.gz DWADULFKDUBAIV-INIZCTEOSA-N 0 1 385.483 3.263 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCS3)cc2F)CC1 ZINC000126152765 1415371114 /nfs/dbraw/zinc/37/11/14/1415371114.db2.gz GGKURBIBTVPHOK-HXUWFJFHSA-N 0 1 394.560 3.053 20 10 GGCDMN Cc1cc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000178107071 1428984707 /nfs/dbraw/zinc/98/47/07/1428984707.db2.gz GAVKTKBPWZBECP-GOSISDBHSA-N 0 1 385.483 3.028 20 10 GGCDMN O=C(c1cccc(F)c1)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000128998925 1416122879 /nfs/dbraw/zinc/12/28/79/1416122879.db2.gz AHPKMJNSOLHRIG-UHFFFAOYSA-N 0 1 397.494 3.010 20 10 GGCDMN Cc1cccc(C(=O)N2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000129044097 1416132432 /nfs/dbraw/zinc/13/24/32/1416132432.db2.gz YBAHFVVLIUOBQB-UHFFFAOYSA-N 0 1 393.531 3.180 20 10 GGCDMN CN(C)c1ccc(CN(C)C(=O)CN(CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000178392982 1429068226 /nfs/dbraw/zinc/06/82/26/1429068226.db2.gz YAYDZHMTFSWEIR-HSZRJFAPSA-N 0 1 395.547 3.083 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129924749 1416285540 /nfs/dbraw/zinc/28/55/40/1416285540.db2.gz XLKDSRZVRVSCLO-WFASDCNBSA-N 0 1 396.329 3.311 20 10 GGCDMN CN(Cc1cnn(Cc2ccccc2)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000130411073 1416373622 /nfs/dbraw/zinc/37/36/22/1416373622.db2.gz MHGQSTWIPNBOHW-UHFFFAOYSA-N 0 1 376.504 3.400 20 10 GGCDMN Oc1ccccc1C[N@H+](CCOc1cccc(-c2nnn[n-]2)c1)Cc1ccco1 ZINC000738401574 1429128157 /nfs/dbraw/zinc/12/81/57/1429128157.db2.gz UUWQNFIOMRAMTQ-UHFFFAOYSA-N 0 1 391.431 3.247 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1cccc(-c2nnn[n-]2)c1)Cc1ccco1 ZINC000738401574 1429128161 /nfs/dbraw/zinc/12/81/61/1429128161.db2.gz UUWQNFIOMRAMTQ-UHFFFAOYSA-N 0 1 391.431 3.247 20 10 GGCDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000133023022 1416842866 /nfs/dbraw/zinc/84/28/66/1416842866.db2.gz ZMPBSSWNJPEFOF-ZDUSSCGKSA-N 0 1 376.478 3.398 20 10 GGCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000133622793 1416923618 /nfs/dbraw/zinc/92/36/18/1416923618.db2.gz GYMLJDVCZCOEGJ-NRFANRHFSA-N 0 1 381.524 3.038 20 10 GGCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000133689320 1416942193 /nfs/dbraw/zinc/94/21/93/1416942193.db2.gz BGFZYUSWYXRNCQ-JOCHJYFZSA-N 0 1 397.494 3.290 20 10 GGCDMN CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000133933479 1416997812 /nfs/dbraw/zinc/99/78/12/1416997812.db2.gz MKYPUMZHDJCUOX-UHFFFAOYSA-N 0 1 382.460 3.123 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2F)CC1 ZINC000133951863 1417001101 /nfs/dbraw/zinc/00/11/01/1417001101.db2.gz YZYKFESSWUFNRM-UHFFFAOYSA-N 0 1 391.437 3.105 20 10 GGCDMN Cc1nc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)s1 ZINC000134260671 1417045261 /nfs/dbraw/zinc/04/52/61/1417045261.db2.gz YXZKPWFQFSOICJ-MRXNPFEDSA-N 0 1 393.940 3.442 20 10 GGCDMN Cc1[nH]nc2ncc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12 ZINC000134265925 1417046977 /nfs/dbraw/zinc/04/69/77/1417046977.db2.gz UBHQURKCKUMLEH-INIZCTEOSA-N 0 1 399.882 3.020 20 10 GGCDMN O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134267816 1417047278 /nfs/dbraw/zinc/04/72/78/1417047278.db2.gz DNQYGSFKYQAOKJ-KRWDZBQOSA-N 0 1 398.894 3.245 20 10 GGCDMN Cc1cc(C(=O)CN2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(F)c1 ZINC000178820794 1429183025 /nfs/dbraw/zinc/18/30/25/1429183025.db2.gz JFGCHINFSUHFQL-LJQANCHMSA-N 0 1 399.510 3.070 20 10 GGCDMN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1cccc(F)c1 ZINC000151698909 1418065429 /nfs/dbraw/zinc/06/54/29/1418065429.db2.gz AXHVNNBSCIUARJ-OAHLLOKOSA-N 0 1 382.530 3.367 20 10 GGCDMN COc1cccc([C@H](CNC(=O)NCCCSc2nccs2)N(C)C)c1 ZINC000151702009 1418066240 /nfs/dbraw/zinc/06/62/40/1418066240.db2.gz BZDVBKKIUXHPSM-INIZCTEOSA-N 0 1 394.566 3.236 20 10 GGCDMN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000152142168 1418156305 /nfs/dbraw/zinc/15/63/05/1418156305.db2.gz DBPPRVAXCRPAAG-GOSISDBHSA-N 0 1 395.551 3.481 20 10 GGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820411209 1429316245 /nfs/dbraw/zinc/31/62/45/1429316245.db2.gz HGDUAUDOUUVFOQ-HUUCEWRRSA-N 0 1 396.470 3.254 20 10 GGCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179582799 1429452343 /nfs/dbraw/zinc/45/23/43/1429452343.db2.gz JWJPYCVGFMUXKV-AWEZNQCLSA-N 0 1 377.435 3.321 20 10 GGCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179738000 1429530804 /nfs/dbraw/zinc/53/08/04/1429530804.db2.gz SFUXWNULWGRQOM-LLVKDONJSA-N 0 1 385.848 3.300 20 10 GGCDMN COc1ccc(C)cc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153331271 1422474575 /nfs/dbraw/zinc/47/45/75/1422474575.db2.gz UBKHHAFPZHWSNW-SFHVURJKSA-N 0 1 397.519 3.299 20 10 GGCDMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153333920 1422475651 /nfs/dbraw/zinc/47/56/51/1422475651.db2.gz LNSOENZPHNIHSM-HNNXBMFYSA-N 0 1 389.446 3.260 20 10 GGCDMN CN(CCNC(=O)NCCCSc1nccs1)Cc1ccc(F)cc1 ZINC000154283772 1422866988 /nfs/dbraw/zinc/86/69/88/1422866988.db2.gz KMHAJQMVJTXABJ-UHFFFAOYSA-N 0 1 382.530 3.196 20 10 GGCDMN CN(C)c1ccc(CN(C)Cc2ccccc2OCC(=O)NCC2CC2)cc1 ZINC000155190834 1423229833 /nfs/dbraw/zinc/22/98/33/1423229833.db2.gz OSWCNUFMQHRMFL-UHFFFAOYSA-N 0 1 381.520 3.290 20 10 GGCDMN C[C@H](SCCN(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000157707408 1424070503 /nfs/dbraw/zinc/07/05/03/1424070503.db2.gz ZAPQUIXIXLIBBI-ZDUSSCGKSA-N 0 1 382.485 3.084 20 10 GGCDMN COc1ccc(CCC(=O)N2CCCN(Cc3cc(F)ccc3O)CC2)cc1 ZINC000180019011 1429696690 /nfs/dbraw/zinc/69/66/90/1429696690.db2.gz UUJDLJRDLYFNPH-UHFFFAOYSA-N 0 1 386.467 3.207 20 10 GGCDMN COc1cc(O)c(CN2CCCN(C(=O)c3cccc(C)c3)CC2)cc1OC ZINC000159737765 1424528773 /nfs/dbraw/zinc/52/87/73/1424528773.db2.gz VPWVUFAOZHEWGO-UHFFFAOYSA-N 0 1 384.476 3.066 20 10 GGCDMN COc1cc(O)c(CN2CCCN(C(=O)CCc3ccccc3)CC2)cc1OC ZINC000160371219 1424599288 /nfs/dbraw/zinc/59/92/88/1424599288.db2.gz WWKUCFJWBLXVEM-UHFFFAOYSA-N 0 1 398.503 3.077 20 10 GGCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NCc1ccccc1 ZINC000161215626 1424667554 /nfs/dbraw/zinc/66/75/54/1424667554.db2.gz JXFWRROCSXLKIU-DLBZAZTESA-N 0 1 385.483 3.018 20 10 GGCDMN C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000161816836 1424771404 /nfs/dbraw/zinc/77/14/04/1424771404.db2.gz VXVOVYHANPBWLF-QZTJIDSGSA-N 0 1 399.510 3.360 20 10 GGCDMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000161967438 1424804101 /nfs/dbraw/zinc/80/41/01/1424804101.db2.gz XHHBSAARMKUDSM-SFHVURJKSA-N 0 1 399.510 3.141 20 10 GGCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163172511 1424953343 /nfs/dbraw/zinc/95/33/43/1424953343.db2.gz NBEXUBZLOXKAED-QGZVFWFLSA-N 0 1 382.512 3.146 20 10 GGCDMN COc1ccc2ccc(O)c(CN3CCN(Cc4nc(C)c(C)o4)CC3)c2c1 ZINC000171356283 1425636663 /nfs/dbraw/zinc/63/66/63/1425636663.db2.gz RGSPPGJMUZKEAN-UHFFFAOYSA-N 0 1 381.476 3.477 20 10 GGCDMN CCCN(Cc1ccccc1O)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171781621 1425819107 /nfs/dbraw/zinc/81/91/07/1425819107.db2.gz CITYQVKYQBNARH-UHFFFAOYSA-N 0 1 382.508 3.373 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3cnc(C)nc3C(C)C)cc2F)CC1 ZINC000172108661 1425898135 /nfs/dbraw/zinc/89/81/35/1425898135.db2.gz MXUQHJKDLCXIHJ-UHFFFAOYSA-N 0 1 399.514 3.119 20 10 GGCDMN Cc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000172386008 1426022509 /nfs/dbraw/zinc/02/25/09/1426022509.db2.gz OJWPDYFXADOXKO-UHFFFAOYSA-N 0 1 399.510 3.418 20 10 GGCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000173482119 1426656161 /nfs/dbraw/zinc/65/61/61/1426656161.db2.gz QIOFYNFAIYPJOO-FQEVSTJZSA-N 0 1 392.565 3.000 20 10 GGCDMN O=C(c1nnc2ccccc2c1O)N(Cc1ccco1)Cc1ccccc1O ZINC000173673977 1426817104 /nfs/dbraw/zinc/81/71/04/1426817104.db2.gz QPFPGQIWYSCPKM-UHFFFAOYSA-N 0 1 375.384 3.064 20 10 GGCDMN COc1cccc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000174119264 1427009937 /nfs/dbraw/zinc/00/99/37/1427009937.db2.gz TYNSXLKAHHHXTQ-UHFFFAOYSA-N 0 1 387.455 3.004 20 10 GGCDMN NC(=O)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282744 1427084316 /nfs/dbraw/zinc/08/43/16/1427084316.db2.gz NSPFQYLLVGKCBA-CRAIPNDOSA-N 0 1 393.409 3.212 20 10 GGCDMN CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1cc(Br)ccc1[O-] ZINC000174423937 1427150751 /nfs/dbraw/zinc/15/07/51/1427150751.db2.gz XVWWICPPKVTYDL-UHFFFAOYSA-N 0 1 382.258 3.302 20 10 GGCDMN CC[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1cc(Br)ccc1[O-] ZINC000174423937 1427150755 /nfs/dbraw/zinc/15/07/55/1427150755.db2.gz XVWWICPPKVTYDL-UHFFFAOYSA-N 0 1 382.258 3.302 20 10 GGCDMN CCN(CC(=O)N(C)Cc1ccco1)Cc1cc(Br)ccc1O ZINC000174426620 1427151654 /nfs/dbraw/zinc/15/16/54/1427151654.db2.gz RGYKZXJVSOFCMY-UHFFFAOYSA-N 0 1 381.270 3.228 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCC(F)(F)F ZINC000174426294 1427151703 /nfs/dbraw/zinc/15/17/03/1427151703.db2.gz UUKSUCSMPVUFRC-SECBINFHSA-N 0 1 383.208 3.044 20 10 GGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COCc1ccco1 ZINC000174426342 1427151758 /nfs/dbraw/zinc/15/17/58/1427151758.db2.gz OKTMPIBZINERDP-OAHLLOKOSA-N 0 1 384.270 3.147 20 10 GGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COCc1ccco1 ZINC000174426342 1427151761 /nfs/dbraw/zinc/15/17/61/1427151761.db2.gz OKTMPIBZINERDP-OAHLLOKOSA-N 0 1 384.270 3.147 20 10 GGCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1 ZINC000180491955 1429881745 /nfs/dbraw/zinc/88/17/45/1429881745.db2.gz PPXJCHPNGBGBHG-UHFFFAOYSA-N 0 1 386.470 3.087 20 10 GGCDMN COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCCC1 ZINC000180597635 1429922368 /nfs/dbraw/zinc/92/23/68/1429922368.db2.gz GORFGVTYKSRVMI-CKDFRHGISA-N 0 1 382.460 3.073 20 10 GGCDMN Oc1c(Br)cccc1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000180715520 1429996474 /nfs/dbraw/zinc/99/64/74/1429996474.db2.gz QBIYXFOTUOSWRV-SJLPKXTDSA-N 0 1 392.293 3.479 20 10 GGCDMN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961538 1430137871 /nfs/dbraw/zinc/13/78/71/1430137871.db2.gz SZTPRXVTDVLUDL-KXBFYZLASA-N 0 1 385.487 3.006 20 10 GGCDMN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961518 1430138049 /nfs/dbraw/zinc/13/80/49/1430138049.db2.gz SZTPRXVTDVLUDL-DNVCBOLYSA-N 0 1 385.487 3.006 20 10 GGCDMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177772 1430239159 /nfs/dbraw/zinc/23/91/59/1430239159.db2.gz WBPAGZYFLOKWBU-APWZRJJASA-N 0 1 399.514 3.396 20 10 GGCDMN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189224 1430242977 /nfs/dbraw/zinc/24/29/77/1430242977.db2.gz QLEYRYHAXUABHH-LPHOPBHVSA-N 0 1 399.514 3.314 20 10 GGCDMN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])c1 ZINC000181928125 1430384765 /nfs/dbraw/zinc/38/47/65/1430384765.db2.gz PJXYWZFBLDEGLL-LLVKDONJSA-N 0 1 396.896 3.007 20 10 GGCDMN C[C@H](c1ccccc1)N(CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000182300889 1430445119 /nfs/dbraw/zinc/44/51/19/1430445119.db2.gz KBCZMRLNCZZTNJ-QGZVFWFLSA-N 0 1 398.503 3.413 20 10 GGCDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1O ZINC000182474782 1430473803 /nfs/dbraw/zinc/47/38/03/1430473803.db2.gz OARYVVZWPJVVTN-UHFFFAOYSA-N 0 1 376.312 3.428 20 10 GGCDMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000182476731 1430474130 /nfs/dbraw/zinc/47/41/30/1430474130.db2.gz FAGGZQZEBWRNTM-UHFFFAOYSA-N 0 1 376.478 3.374 20 10 GGCDMN CC(=O)Nc1cccc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000182522281 1430483168 /nfs/dbraw/zinc/48/31/68/1430483168.db2.gz KRIDITNZQTXOCP-INIZCTEOSA-N 0 1 382.508 3.020 20 10 GGCDMN CCCN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000182952963 1430579644 /nfs/dbraw/zinc/57/96/44/1430579644.db2.gz FUVGKGHCONSDRP-IBGZPJMESA-N 0 1 389.517 3.370 20 10 GGCDMN Cn1cc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)cn1 ZINC000183071865 1430605940 /nfs/dbraw/zinc/60/59/40/1430605940.db2.gz QWRBAWFIQMYQRP-UHFFFAOYSA-N 0 1 378.476 3.027 20 10 GGCDMN COc1cc(N2CCN(CCCOc3ccccc3)CC2)cc(OC)c1OC ZINC000183696537 1430775394 /nfs/dbraw/zinc/77/53/94/1430775394.db2.gz LGZQDWWGMNANNM-UHFFFAOYSA-N 0 1 386.492 3.304 20 10 GGCDMN COc1cc(N2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000183696282 1430775597 /nfs/dbraw/zinc/77/55/97/1430775597.db2.gz POFPTNSVGXCPFO-INIZCTEOSA-N 0 1 381.476 3.467 20 10 GGCDMN CCCN(CCCS(=O)(=O)c1ccccc1OC)Cc1ccccc1O ZINC000184226904 1430859124 /nfs/dbraw/zinc/85/91/24/1430859124.db2.gz ZKGBIKSUHOVZJU-UHFFFAOYSA-N 0 1 377.506 3.477 20 10 GGCDMN COc1cc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc(OC)c1OC ZINC000184753503 1430966763 /nfs/dbraw/zinc/96/67/63/1430966763.db2.gz SEABGPFBPHDPAE-UHFFFAOYSA-N 0 1 385.508 3.101 20 10 GGCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185195041 1431081976 /nfs/dbraw/zinc/08/19/76/1431081976.db2.gz FOGITTVIPHLUOZ-MRXNPFEDSA-N 0 1 384.501 3.483 20 10 GGCDMN C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc2ccccc2c1[O-] ZINC000186025975 1431313405 /nfs/dbraw/zinc/31/34/05/1431313405.db2.gz LENNNNZEVYYFCC-ZDUSSCGKSA-N 0 1 398.475 3.460 20 10 GGCDMN C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1[O-] ZINC000186158836 1431344146 /nfs/dbraw/zinc/34/41/46/1431344146.db2.gz YCORCPVASUSHOM-HIFRSBDPSA-N 0 1 391.514 3.092 20 10 GGCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1 ZINC000186970594 1431579609 /nfs/dbraw/zinc/57/96/09/1431579609.db2.gz DJQPWFMNGZPGFL-UHFFFAOYSA-N 0 1 386.470 3.087 20 10 GGCDMN CCOCc1cc(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OC ZINC000187494716 1431748437 /nfs/dbraw/zinc/74/84/37/1431748437.db2.gz BBHZQJQOSOHNLJ-KRWDZBQOSA-N 0 1 391.533 3.492 20 10 GGCDMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc2ccccc2c1[O-] ZINC000189179171 1432058870 /nfs/dbraw/zinc/05/88/70/1432058870.db2.gz ONLZAKZKMPGSNW-HNNXBMFYSA-N 0 1 385.485 3.162 20 10 GGCDMN CC(C)N(C)c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cn1 ZINC000190400454 1432374292 /nfs/dbraw/zinc/37/42/92/1432374292.db2.gz XUGMMPGABSWMBT-LFIBNONCSA-N 0 1 390.578 3.222 20 10 GGCDMN COc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000190788155 1432479944 /nfs/dbraw/zinc/47/99/44/1432479944.db2.gz PSPURCFKAVMLIG-UHFFFAOYSA-N 0 1 381.398 3.235 20 10 GGCDMN CCC1=C(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCCO1 ZINC000191430265 1432660160 /nfs/dbraw/zinc/66/01/60/1432660160.db2.gz VXMTTWMRGXZLBY-UHFFFAOYSA-N 0 1 375.488 3.058 20 10 GGCDMN CCCCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000192942002 1432910840 /nfs/dbraw/zinc/91/08/40/1432910840.db2.gz QSIUBSBJYICUMH-MRXNPFEDSA-N 0 1 383.554 3.488 20 10 GGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000193404537 1432992478 /nfs/dbraw/zinc/99/24/78/1432992478.db2.gz QWXNCNBBOIBEBE-UHFFFAOYSA-N 0 1 395.551 3.344 20 10 GGCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)CC1 ZINC000194754524 1433225199 /nfs/dbraw/zinc/22/51/99/1433225199.db2.gz RUGLPDHJOVTPAD-DHZHZOJOSA-N 0 1 387.324 3.338 20 10 GGCDMN CCN(CC)c1ccc(CNC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000195563263 1433339530 /nfs/dbraw/zinc/33/95/30/1433339530.db2.gz RBMVYHKUYKJCPX-UHFFFAOYSA-N 0 1 380.536 3.390 20 10 GGCDMN CC(C)(C)OC(=O)NCC(F)(F)CNCc1cccc(Br)c1O ZINC000230942819 1433372838 /nfs/dbraw/zinc/37/28/38/1433372838.db2.gz CAWGICULSYFYLG-UHFFFAOYSA-N 0 1 395.244 3.404 20 10 GGCDMN CCOc1cccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c1O ZINC000236952609 1433383827 /nfs/dbraw/zinc/38/38/27/1433383827.db2.gz RVECFUCHJPQRMV-UHFFFAOYSA-N 0 1 392.521 3.158 20 10 GGCDMN O=C1O[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CN1c1ccccc1 ZINC000246675578 1433648230 /nfs/dbraw/zinc/64/82/30/1433648230.db2.gz JQVPMCWWMZJDPR-UXHICEINSA-N 0 1 382.460 3.399 20 10 GGCDMN CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000247552571 1433736863 /nfs/dbraw/zinc/73/68/63/1433736863.db2.gz KMGIPAPKSRIUSU-IFMALSPDSA-N 0 1 385.552 3.136 20 10 GGCDMN COc1cccc(CNC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1O ZINC000266658040 1434360080 /nfs/dbraw/zinc/36/00/80/1434360080.db2.gz HIOFZOIHFBKEAZ-GOSISDBHSA-N 0 1 399.491 3.046 20 10 GGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000267471824 1434437553 /nfs/dbraw/zinc/43/75/53/1434437553.db2.gz YQVWINPWKVNTQZ-UHFFFAOYSA-N 0 1 384.451 3.471 20 10 GGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(N)cc3Cl)cc2F)CC1 ZINC000269298811 1434619834 /nfs/dbraw/zinc/61/98/34/1434619834.db2.gz PNKLQFUCEBEKHB-UHFFFAOYSA-N 0 1 390.890 3.133 20 10 GGCDMN CCOc1cccc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271129355 1434803744 /nfs/dbraw/zinc/80/37/44/1434803744.db2.gz JBTWFRFYSFXGFU-UHFFFAOYSA-N 0 1 393.505 3.095 20 10 GGCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1F ZINC000271605174 1434838684 /nfs/dbraw/zinc/83/86/84/1434838684.db2.gz ACDZDVFNDZETKU-AWEZNQCLSA-N 0 1 379.501 3.170 20 10 GGCDMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000276986426 1435249933 /nfs/dbraw/zinc/24/99/33/1435249933.db2.gz MMSPETFAUVDFHT-UHFFFAOYSA-N 0 1 393.491 3.313 20 10 GGCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000277113063 1435263312 /nfs/dbraw/zinc/26/33/12/1435263312.db2.gz RTBMZKXFBBUFTR-XKQHDHNFSA-N 0 1 383.496 3.045 20 10 GGCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000278140215 1435363695 /nfs/dbraw/zinc/36/36/95/1435363695.db2.gz AXQRCHXEMTZETN-CYBMUJFWSA-N 0 1 383.408 3.083 20 10 GGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855045 1435431578 /nfs/dbraw/zinc/43/15/78/1435431578.db2.gz LLCIJYVAWMIKAL-UKRRQHHQSA-N 0 1 378.450 3.459 20 10 GGCDMN CN(C)c1ccc(CNCc2cccnc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000279914045 1435562096 /nfs/dbraw/zinc/56/20/96/1435562096.db2.gz MCVQGNSRBLPFJD-UHFFFAOYSA-N 0 1 394.441 3.293 20 10 GGCDMN Cc1ccccc1-n1nccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000280041959 1435581580 /nfs/dbraw/zinc/58/15/80/1435581580.db2.gz VJTJYIRJISSYNF-UHFFFAOYSA-N 0 1 380.467 3.446 20 10 GGCDMN CCOc1cccc(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280796021 1435722174 /nfs/dbraw/zinc/72/21/74/1435722174.db2.gz RPOHTXQBEUNWLR-KXBFYZLASA-N 0 1 377.506 3.363 20 10 GGCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000282391045 1435845587 /nfs/dbraw/zinc/84/55/87/1435845587.db2.gz CIPWJDCUFAIYKS-QGZVFWFLSA-N 0 1 395.494 3.149 20 10 GGCDMN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000282726317 1435857930 /nfs/dbraw/zinc/85/79/30/1435857930.db2.gz WWMDXGQJSAKPFB-UHFFFAOYSA-N 0 1 398.507 3.387 20 10 GGCDMN Oc1ccccc1C[N@H+](CCOc1ccc(-c2nnn[n-]2)cc1)Cc1ccco1 ZINC000823733382 1442484988 /nfs/dbraw/zinc/48/49/88/1442484988.db2.gz WBXVPSJFCCSXNC-UHFFFAOYSA-N 0 1 391.431 3.247 20 10 GGCDMN Oc1ccccc1C[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1)Cc1ccco1 ZINC000823733382 1442484990 /nfs/dbraw/zinc/48/49/90/1442484990.db2.gz WBXVPSJFCCSXNC-UHFFFAOYSA-N 0 1 391.431 3.247 20 10 GGCDMN Cc1cc(Br)cc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1O ZINC000826256503 1443785222 /nfs/dbraw/zinc/78/52/22/1443785222.db2.gz MKUUDFKPLFHRMN-UHFFFAOYSA-N 0 1 388.269 3.275 20 10 GGCDMN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820413534 1443875032 /nfs/dbraw/zinc/87/50/32/1443875032.db2.gz RNKNXUUMMWGVBW-HOTGVXAUSA-N 0 1 378.480 3.115 20 10 GGCDMN Cc1cc(Cl)cc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1O ZINC000826267559 1449012133 /nfs/dbraw/zinc/01/21/33/1449012133.db2.gz KTDOFMJEHRMTSM-UHFFFAOYSA-N 0 1 398.898 3.246 20 10 GGCDMN CC[N@@H+](Cc1cc(Br)ccc1O)Cc1ccccc1-c1nnn[n-]1 ZINC000821220973 1449311488 /nfs/dbraw/zinc/31/14/88/1449311488.db2.gz HEMRYFLGIUZIQH-UHFFFAOYSA-N 0 1 388.269 3.357 20 10 GGCDMN CCN(Cc1cc(Br)ccc1O)c1[nH+]ccc(C)c1-c1nnn[n-]1 ZINC000825428616 1450351918 /nfs/dbraw/zinc/35/19/18/1450351918.db2.gz RIXUVJKKSKGOPO-UHFFFAOYSA-N 0 1 389.257 3.065 20 10 GGCDMN