smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(F)c(Br)cc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001144308642 790856912 /nfs/dbraw/zinc/85/69/12/790856912.db2.gz RYCKDYOIRMIHJB-JTQLQIEISA-N -1 1 315.186 2.184 20 10 DECDMM CC(C)(C)c1nccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316784 786906087 /nfs/dbraw/zinc/90/60/87/786906087.db2.gz ODEWYAJKRLCYKH-UHFFFAOYSA-N -1 1 301.346 2.480 20 10 DECDMM Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc(C)c1O ZINC001148561655 791771619 /nfs/dbraw/zinc/77/16/19/791771619.db2.gz GOLMKXDMAVCUQT-UHFFFAOYSA-N -1 1 315.325 2.033 20 10 DECDMM O=C(CNC(=O)[C@H]1C[C@H]1c1cccs1)c1ccc([O-])c(O)c1 ZINC001177543903 794697621 /nfs/dbraw/zinc/69/76/21/794697621.db2.gz NKHHHUVJMKJOEU-MNOVXSKESA-N -1 1 317.366 2.262 20 10 DECDMM CN(C)c1ccc(/C=C/CNCc2cc(C(=O)[O-])no2)cc1 ZINC001119549350 795321789 /nfs/dbraw/zinc/32/17/89/795321789.db2.gz IDHPYMUDWZBUNJ-ONEGZZNKSA-N -1 1 301.346 2.242 20 10 DECDMM O=C(CNC(=O)[C@H]1CCc2ccccc21)c1ccc([O-])c(O)c1 ZINC001181763528 795534536 /nfs/dbraw/zinc/53/45/36/795534536.db2.gz PSVCDGAWNJANDX-AWEZNQCLSA-N -1 1 311.337 2.127 20 10 DECDMM C[C@@H](NC(=O)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC001185042440 796176245 /nfs/dbraw/zinc/17/62/45/796176245.db2.gz OUZXZGGPBXXLPL-LLVKDONJSA-N -1 1 314.341 2.341 20 10 DECDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CC[C@@H](C1)O2 ZINC001139127426 796329321 /nfs/dbraw/zinc/32/93/21/796329321.db2.gz VZZDYQRJRSUALK-TXEJJXNPSA-N -1 1 301.342 2.170 20 10 DECDMM CC[C@@H]1COCCN1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139132096 796331099 /nfs/dbraw/zinc/33/10/99/796331099.db2.gz TVXOFRQXDIPLDB-GFCCVEGCSA-N -1 1 303.358 2.418 20 10 DECDMM CN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001140581690 796541059 /nfs/dbraw/zinc/54/10/59/796541059.db2.gz XPVUMLIFAKGNKK-INIZCTEOSA-N -1 1 310.344 2.257 20 10 DECDMM CCOc1cccc(CNC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193246802 797529965 /nfs/dbraw/zinc/52/99/65/797529965.db2.gz BYYUECOSMSONCN-UHFFFAOYSA-N -1 1 322.748 2.475 20 10 DECDMM CCC(CC)CNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155218539 797711563 /nfs/dbraw/zinc/71/15/63/797711563.db2.gz VWPPPWYDTULLQK-UHFFFAOYSA-N -1 1 305.330 2.370 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2CCn3nccc3C2)c1[O-] ZINC001196408846 798056161 /nfs/dbraw/zinc/05/61/61/798056161.db2.gz BOTVXHPGCXLZIU-UHFFFAOYSA-N -1 1 305.765 2.461 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])cn1 ZINC001159033439 798510071 /nfs/dbraw/zinc/51/00/71/798510071.db2.gz ITYQCNWAVQWPRZ-UHFFFAOYSA-N -1 1 307.693 2.279 20 10 DECDMM O=C(CNc1cc(-c2ccncc2)ncn1)c1ccc([O-])c(O)c1 ZINC001159280419 798545018 /nfs/dbraw/zinc/54/50/18/798545018.db2.gz PTPHPEQKLZQPMY-UHFFFAOYSA-N -1 1 322.324 2.245 20 10 DECDMM COC(=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])n1 ZINC001201990544 798819671 /nfs/dbraw/zinc/81/96/71/798819671.db2.gz ZHQNUPPVLJSQPB-UHFFFAOYSA-N -1 1 308.284 2.393 20 10 DECDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC001206392900 800524296 /nfs/dbraw/zinc/52/42/96/800524296.db2.gz NPVRZYPPCHBWFZ-AWEZNQCLSA-N -1 1 301.358 2.378 20 10 DECDMM O=C(c1ccco1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331536 802077537 /nfs/dbraw/zinc/07/75/37/802077537.db2.gz AHEMOONOYRQUDS-UHFFFAOYSA-N -1 1 322.311 2.221 20 10 DECDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCC2(C1)OCCO2 ZINC001234477613 802388508 /nfs/dbraw/zinc/38/85/08/802388508.db2.gz UUEHDRZSCQGHSM-LLVKDONJSA-N -1 1 308.330 2.365 20 10 DECDMM O=C1CC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579963 803255665 /nfs/dbraw/zinc/25/56/65/803255665.db2.gz CJSSEPPPNCDTMA-UHFFFAOYSA-N -1 1 308.289 2.278 20 10 DECDMM C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000235604017 960466269 /nfs/dbraw/zinc/46/62/69/960466269.db2.gz ARXJNGVEDIMIQO-KWQFWETISA-N -1 1 314.179 2.450 20 10 DECDMM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000235604017 960466275 /nfs/dbraw/zinc/46/62/75/960466275.db2.gz ARXJNGVEDIMIQO-KWQFWETISA-N -1 1 314.179 2.450 20 10 DECDMM COC[C@@]1(C(=O)[O-])CCCN1Cc1cc(Cl)cc(C)c1O ZINC001599193178 997163486 /nfs/dbraw/zinc/16/34/86/997163486.db2.gz ZJWIASDSGGGZHG-OAHLLOKOSA-N -1 1 313.781 2.420 20 10 DECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(c2ccncn2)CC1 ZINC001638796064 1078581244 /nfs/dbraw/zinc/58/12/44/1078581244.db2.gz TZQBSZUQOTXGKE-UHFFFAOYSA-N -1 1 317.320 2.047 20 10 DECDMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1O ZINC001580309149 1075898722 /nfs/dbraw/zinc/89/87/22/1075898722.db2.gz MRDFNFWHLZMPBQ-MRVPVSSYSA-N -1 1 315.358 2.125 20 10 DECDMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1O ZINC001580309149 1075898727 /nfs/dbraw/zinc/89/87/27/1075898727.db2.gz MRDFNFWHLZMPBQ-MRVPVSSYSA-N -1 1 315.358 2.125 20 10 DECDMM Cc1cc([O-])c(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)cc1Cl ZINC001600285392 1077176490 /nfs/dbraw/zinc/17/64/90/1077176490.db2.gz AYJCTVYXWNQVLB-CYBMUJFWSA-N -1 1 309.753 2.003 20 10 DECDMM Cc1cc(O)c(CN2CCOC[C@H]2CC(=O)[O-])cc1C(C)C ZINC001610476157 1078026981 /nfs/dbraw/zinc/02/69/81/1078026981.db2.gz WISQOJIAQUSSBL-CQSZACIVSA-N -1 1 307.390 2.500 20 10 DECDMM CN(C)c1ccnc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001668378038 1081348823 /nfs/dbraw/zinc/34/88/23/1081348823.db2.gz PLQIEDJWLCATDE-UHFFFAOYSA-N -1 1 321.768 2.223 20 10 DECDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](O)C1 ZINC001235297651 1084376724 /nfs/dbraw/zinc/37/67/24/1084376724.db2.gz OWXSBWPFBMQYLK-JTQLQIEISA-N -1 1 304.159 2.251 20 10 DECDMM O=S(=O)(Nc1ccccc1[S-])c1cccc2nonc21 ZINC001260440782 1144187098 /nfs/dbraw/zinc/18/70/98/1144187098.db2.gz LWEFPORYWBZBMH-UHFFFAOYSA-N -1 1 307.356 2.312 20 10 DECDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(O)cc1[O-] ZINC000175426443 282296330 /nfs/dbraw/zinc/29/63/30/282296330.db2.gz VWNKGFRSHVNNIZ-UHFFFAOYSA-N -1 1 314.341 2.203 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2ncn(C)n2)c1[O-] ZINC000275476283 130324755 /nfs/dbraw/zinc/32/47/55/130324755.db2.gz DFASZTOZBBQLMZ-MRVPVSSYSA-N -1 1 308.769 2.228 20 10 DECDMM Cc1nccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000184764077 402298219 /nfs/dbraw/zinc/29/82/19/402298219.db2.gz JVXVSJLUEGGWAP-UHFFFAOYSA-N -1 1 318.808 2.466 20 10 DECDMM CC[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)S1(=O)=O ZINC000289921485 404009889 /nfs/dbraw/zinc/00/98/89/404009889.db2.gz VRZSWBAOPLZHAT-MNOVXSKESA-N -1 1 317.838 2.443 20 10 DECDMM [O-]c1ccc(Cl)c(F)c1CNc1nncn1-c1cccnc1 ZINC000376755131 424898226 /nfs/dbraw/zinc/89/82/26/424898226.db2.gz LIGMHQRPWPBJMS-UHFFFAOYSA-N -1 1 319.727 2.773 20 10 DECDMM [O-]c1c(Cl)cccc1CN1CCN(c2cccnn2)CC1 ZINC000179972619 526327254 /nfs/dbraw/zinc/32/72/54/526327254.db2.gz JRJYVFDSBUBCJA-UHFFFAOYSA-N -1 1 304.781 2.158 20 10 DECDMM CC(=O)c1cc(F)cc(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000823627169 604223604 /nfs/dbraw/zinc/22/36/04/604223604.db2.gz FYUMFNCAWUHEGK-XPTSAGLGSA-N -1 1 324.352 2.212 20 10 DECDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(=O)[O-] ZINC000833630204 604669289 /nfs/dbraw/zinc/66/92/89/604669289.db2.gz PZUGXOWSQKQDGA-OIBJUYFYSA-N -1 1 314.725 2.106 20 10 DECDMM COCc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000742434441 638072310 /nfs/dbraw/zinc/07/23/10/638072310.db2.gz IXELMJUHCLGJNZ-WJDWOHSUSA-N -1 1 308.337 2.294 20 10 DECDMM COC(=O)C1=CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000895969434 638289597 /nfs/dbraw/zinc/28/95/97/638289597.db2.gz NCNPIWUOQFBIGM-LLVKDONJSA-N -1 1 324.764 2.107 20 10 DECDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccnn1C ZINC000896261705 638439782 /nfs/dbraw/zinc/43/97/82/638439782.db2.gz LKQRJIKQFYYZDS-VIFPVBQESA-N -1 1 308.769 2.340 20 10 DECDMM O=C(COC(=O)c1ncccc1Cl)c1ccc([O-])c(O)c1 ZINC000796589361 639091100 /nfs/dbraw/zinc/09/11/00/639091100.db2.gz KQEGFOCVCCLIFJ-UHFFFAOYSA-N -1 1 307.689 2.186 20 10 DECDMM O=C(CSc1ccc([N+](=O)[O-])cn1)c1ccc([O-])c(O)c1 ZINC000772858442 641699670 /nfs/dbraw/zinc/69/96/70/641699670.db2.gz OKGPHEMJIBKHBN-UHFFFAOYSA-N -1 1 306.299 2.376 20 10 DECDMM CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000774906283 641980446 /nfs/dbraw/zinc/98/04/46/641980446.db2.gz WXQOUGGKSSXEGG-GFCCVEGCSA-N -1 1 310.350 2.310 20 10 DECDMM CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000775194778 642015236 /nfs/dbraw/zinc/01/52/36/642015236.db2.gz YQAHILOWQMQDHW-CYBMUJFWSA-N -1 1 317.838 2.445 20 10 DECDMM CC[C@H](CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl)OC ZINC000901962625 642849239 /nfs/dbraw/zinc/84/92/39/642849239.db2.gz ILGILEBALGPHHS-SSDOTTSWSA-N -1 1 311.762 2.351 20 10 DECDMM CCc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1O ZINC000783043677 642955776 /nfs/dbraw/zinc/95/57/76/642955776.db2.gz VXWCRWVYGDOHMU-UHFFFAOYSA-N -1 1 316.309 2.406 20 10 DECDMM Cc1ncc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000783644300 643032747 /nfs/dbraw/zinc/03/27/47/643032747.db2.gz WORNEVIIQBKIPW-HWKANZROSA-N -1 1 319.338 2.302 20 10 DECDMM COc1cccc(F)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783875965 643064696 /nfs/dbraw/zinc/06/46/96/643064696.db2.gz GXULJPORSKKXRA-UHFFFAOYSA-N -1 1 320.272 2.285 20 10 DECDMM CCc1ncsc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784327854 643126008 /nfs/dbraw/zinc/12/60/08/643126008.db2.gz ZLJRCGBBQHUFIU-UHFFFAOYSA-N -1 1 307.327 2.156 20 10 DECDMM Cc1ccc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000784683685 643164189 /nfs/dbraw/zinc/16/41/89/643164189.db2.gz GEBIAUMIMCXFLU-QPJJXVBHSA-N -1 1 313.309 2.241 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000842935093 650855014 /nfs/dbraw/zinc/85/50/14/650855014.db2.gz IKPUJUNPADNMSM-MWLCHTKSSA-N -1 1 309.337 2.419 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000842935093 650855017 /nfs/dbraw/zinc/85/50/17/650855017.db2.gz IKPUJUNPADNMSM-MWLCHTKSSA-N -1 1 309.337 2.419 20 10 DECDMM COc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1F ZINC000789954341 643794493 /nfs/dbraw/zinc/79/44/93/643794493.db2.gz HVANBZQSYCGIOA-UHFFFAOYSA-N -1 1 309.268 2.315 20 10 DECDMM Cc1n[nH]cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114425 646035022 /nfs/dbraw/zinc/03/50/22/646035022.db2.gz XRNGPTBYSBAFFI-UHFFFAOYSA-N -1 1 305.718 2.017 20 10 DECDMM O=C(CCOc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590173 647883368 /nfs/dbraw/zinc/88/33/68/647883368.db2.gz FVAXGOVHNSMJSN-UHFFFAOYSA-N -1 1 316.309 2.293 20 10 DECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC([C@H]2CCOC2)CC1 ZINC000828274389 649158494 /nfs/dbraw/zinc/15/84/94/649158494.db2.gz XEZOEXGOEMEOQI-NSHDSACASA-N -1 1 309.337 2.126 20 10 DECDMM CC(C)[C@@]1(CO)CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000832908035 649754547 /nfs/dbraw/zinc/75/45/47/649754547.db2.gz DXTMHAOVFLTZII-INIZCTEOSA-N -1 1 311.353 2.108 20 10 DECDMM COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000846053008 651304460 /nfs/dbraw/zinc/30/44/60/651304460.db2.gz LZICCDVEWIEHHL-GHMZBOCLSA-N -1 1 306.189 2.281 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1[O-] ZINC000846276643 651319558 /nfs/dbraw/zinc/31/95/58/651319558.db2.gz AJDAYTIACGBLMS-XEGUGMAKSA-N -1 1 321.348 2.419 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1[O-] ZINC000846276643 651319560 /nfs/dbraw/zinc/31/95/60/651319560.db2.gz AJDAYTIACGBLMS-XEGUGMAKSA-N -1 1 321.348 2.419 20 10 DECDMM CC1(C)CCC(O)(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000857329188 652107221 /nfs/dbraw/zinc/10/72/21/652107221.db2.gz OHMYVDQEOQKIGI-UHFFFAOYSA-N -1 1 311.353 2.298 20 10 DECDMM O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000881435040 691096982 /nfs/dbraw/zinc/09/69/82/691096982.db2.gz AANDIGGXXRYADB-QWRGUYRKSA-N -1 1 309.337 2.029 20 10 DECDMM CN(CCO)c1ccc(NCc2cc(F)cc(F)c2[O-])nc1 ZINC000883050195 691420324 /nfs/dbraw/zinc/42/03/24/691420324.db2.gz HJNPKKZSIVYSJG-UHFFFAOYSA-N -1 1 309.316 2.106 20 10 DECDMM CC(C)[C@H]1C[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC001347914384 1151106291 /nfs/dbraw/zinc/10/62/91/1151106291.db2.gz JSPCSKPOMLOXQD-ZWNOBZJWSA-N -1 1 311.353 2.418 20 10 DECDMM O=C1CCCN1C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686430 778708311 /nfs/dbraw/zinc/70/83/11/778708311.db2.gz ZFJSNNYLUAAZKW-UHFFFAOYSA-N -1 1 310.344 2.257 20 10 DECDMM 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317.297 2.078 20 10 DECDMM O=C(Cc1ccc(O)c(O)c1)NCc1cccc(Cl)c1[O-] ZINC001159041513 798511799 /nfs/dbraw/zinc/51/17/99/798511799.db2.gz QEJUNDCOUNDRQY-UHFFFAOYSA-N -1 1 307.733 2.316 20 10 DECDMM COc1c(Cl)nc(C)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276432 798544917 /nfs/dbraw/zinc/54/49/17/798544917.db2.gz IEDYFPOCJJABAU-UHFFFAOYSA-N -1 1 323.736 2.153 20 10 DECDMM O=C(CNc1nc(Cl)nc2c1CCC2)c1ccc([O-])c(O)c1 ZINC001159276381 798545047 /nfs/dbraw/zinc/54/50/47/798545047.db2.gz HHUWTLPQEXXTAM-UHFFFAOYSA-N -1 1 319.748 2.325 20 10 DECDMM O=C(CNc1ccc2ncc(F)cc2n1)c1ccc([O-])c(O)c1 ZINC001159279486 798545254 /nfs/dbraw/zinc/54/52/54/798545254.db2.gz PPDLWSIFGUQNSO-UHFFFAOYSA-N -1 1 313.288 2.475 20 10 DECDMM Cc1nc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001159273601 798545516 /nfs/dbraw/zinc/54/55/16/798545516.db2.gz YWRIXARMIBRBPU-UHFFFAOYSA-N -1 1 307.737 2.453 20 10 DECDMM CC[C@@H]1C(=O)NCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000933222409 800044579 /nfs/dbraw/zinc/04/45/79/800044579.db2.gz 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1080894843 /nfs/dbraw/zinc/89/48/43/1080894843.db2.gz VIEBXLOTIGOKDZ-RISCZKNCSA-N -1 1 311.328 2.240 20 10 DECDMM C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC[C@H]1O ZINC001235297487 1084377210 /nfs/dbraw/zinc/37/72/10/1084377210.db2.gz MMZYKLXOVUBRNP-PRHODGIISA-N -1 1 318.186 2.497 20 10 DECDMM CN1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1=O ZINC001236795588 1138429476 /nfs/dbraw/zinc/42/94/76/1138429476.db2.gz HKEIYDLSNSQKHQ-UHFFFAOYSA-N -1 1 303.189 2.363 20 10 DECDMM CS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795562 1138429784 /nfs/dbraw/zinc/42/97/84/1138429784.db2.gz GRKVYXQSQMVCNC-SECBINFHSA-N -1 1 324.229 2.318 20 10 DECDMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001258637454 1144029069 /nfs/dbraw/zinc/02/90/69/1144029069.db2.gz MCYYKRJPEGOTLV-UHFFFAOYSA-N -1 1 304.274 2.076 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N(C3CC3)C2)c1[O-] ZINC000279111433 402904839 /nfs/dbraw/zinc/90/48/39/402904839.db2.gz KMKDWZCVLDNKQP-UHFFFAOYSA-N -1 1 308.765 2.012 20 10 DECDMM COc1c([O-])c(CN2CCO[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278247131 402862455 /nfs/dbraw/zinc/86/24/55/402862455.db2.gz OTKOAGVQTVOMQI-AAEUAGOBSA-N -1 1 308.334 2.062 20 10 DECDMM C[C@H]1CCN(Cc2c([O-])cccc2Cl)CCS1(=O)=O ZINC000277521433 403226408 /nfs/dbraw/zinc/22/64/08/403226408.db2.gz PHOIMFROSQIAAC-JTQLQIEISA-N -1 1 303.811 2.055 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nncn2C)c1[O-] ZINC000287126468 527206304 /nfs/dbraw/zinc/20/63/04/527206304.db2.gz ZMHIYAWPACVKEA-UHFFFAOYSA-N -1 1 308.769 2.009 20 10 DECDMM CC(=O)c1cc(F)cc(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1O ZINC000823627170 604223976 /nfs/dbraw/zinc/22/39/76/604223976.db2.gz FYUMFNCAWUHEGK-YMTOWFKASA-N -1 1 324.352 2.212 20 10 DECDMM O=C([O-])NC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000834219472 605995476 /nfs/dbraw/zinc/99/54/76/605995476.db2.gz GYSGLCREUKZTCJ-JTQLQIEISA-N -1 1 302.733 2.417 20 10 DECDMM Oc1ccc2c(c1CNc1cccc(-c3nnn[n-]3)n1)CCCC2 ZINC000826511364 607901068 /nfs/dbraw/zinc/90/10/68/607901068.db2.gz MQCGNFYJLQIFAI-UHFFFAOYSA-N -1 1 322.372 2.458 20 10 DECDMM Oc1ccc2c(c1CNc1cccc(-c3nn[n-]n3)n1)CCCC2 ZINC000826511364 607901069 /nfs/dbraw/zinc/90/10/69/607901069.db2.gz MQCGNFYJLQIFAI-UHFFFAOYSA-N -1 1 322.372 2.458 20 10 DECDMM CCCNC(=O)CCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757696 623195924 /nfs/dbraw/zinc/19/59/24/623195924.db2.gz ILDXFDVMRZSNGM-UHFFFAOYSA-N -1 1 312.797 2.358 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCC12OCCO2 ZINC000890759241 623197648 /nfs/dbraw/zinc/19/76/48/623197648.db2.gz ICGVXQMGCMYZKR-LLVKDONJSA-N -1 1 311.765 2.205 20 10 DECDMM CCOC1(C(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000890761119 623198622 /nfs/dbraw/zinc/19/86/22/623198622.db2.gz LEBJXWWIMXOIPB-UHFFFAOYSA-N -1 1 313.781 2.248 20 10 DECDMM CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762597 623202540 /nfs/dbraw/zinc/20/25/40/623202540.db2.gz GWGXWLDKPMHBQS-LBPRGKRZSA-N -1 1 310.781 2.061 20 10 DECDMM CC(C)[C@@H]1C[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCO1 ZINC000924311759 623218295 /nfs/dbraw/zinc/21/82/95/623218295.db2.gz WAMWOWSBFSHCRR-WBMJQRKESA-N -1 1 322.357 2.275 20 10 DECDMM COc1c([O-])c(CN2CCO[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000840955785 650394307 /nfs/dbraw/zinc/39/43/07/650394307.db2.gz ZINNBGPQZIHMFX-AWEZNQCLSA-N -1 1 322.361 2.310 20 10 DECDMM [O-]c1c(CN2CC[C@](CO)(C(F)(F)F)C2)ccc(F)c1F ZINC000895838416 638219372 /nfs/dbraw/zinc/21/93/72/638219372.db2.gz YQNNGQVQLSZJAJ-LBPRGKRZSA-N -1 1 311.250 2.417 20 10 DECDMM C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000757637804 639862159 /nfs/dbraw/zinc/86/21/59/639862159.db2.gz NXCWICLHIPNBSN-SECBINFHSA-N -1 1 324.331 2.128 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccnn1 ZINC000765314881 640765698 /nfs/dbraw/zinc/76/56/98/640765698.db2.gz AKITWONHHCOHGM-UHFFFAOYSA-N -1 1 323.150 2.266 20 10 DECDMM O=C(COC(=O)c1nc2c(s1)CCC2)c1ccc([O-])c(O)c1 ZINC000842144635 650659349 /nfs/dbraw/zinc/65/93/49/650659349.db2.gz MFNAFNHZPRKAHF-UHFFFAOYSA-N -1 1 319.338 2.083 20 10 DECDMM O=C(NCc1nc2c(s1)CCC2)c1c(F)ccc(O)c1[O-] ZINC000900284394 642310049 /nfs/dbraw/zinc/31/00/49/642310049.db2.gz KOASTOCJJMWGAN-UHFFFAOYSA-N -1 1 308.334 2.112 20 10 DECDMM O=C(CCc1ccc(O)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783086526 642961218 /nfs/dbraw/zinc/96/12/18/642961218.db2.gz YYQWZTUVZYZCPX-UHFFFAOYSA-N -1 1 316.309 2.162 20 10 DECDMM C[C@H]1C[C@@H]1c1noc(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000903045996 643237466 /nfs/dbraw/zinc/23/74/66/643237466.db2.gz TWUXAKMSVQIESU-CBAPKCEASA-N -1 1 307.737 2.482 20 10 DECDMM O=C(COC(=O)c1nc(Cl)cs1)c1ccc([O-])c(O)c1 ZINC000789220094 643701039 /nfs/dbraw/zinc/70/10/39/643701039.db2.gz PXFJZAFPMJSHLB-UHFFFAOYSA-N -1 1 313.718 2.247 20 10 DECDMM CN(Cc1ccc2c(c1)OCO2)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789944623 643793262 /nfs/dbraw/zinc/79/32/62/643793262.db2.gz UAERZCHFZZQJLY-UHFFFAOYSA-N -1 1 319.288 2.238 20 10 DECDMM O=C([O-])C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000911743794 645803848 /nfs/dbraw/zinc/80/38/48/645803848.db2.gz JDMXAIQBVOTXAU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/13/06/36/690130636.db2.gz BKGCJWMWXNMZLZ-MEDUHNTESA-N -1 1 313.344 2.440 20 10 DECDMM COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(OC)n1 ZINC000883123061 691433587 /nfs/dbraw/zinc/43/35/87/691433587.db2.gz JLGRSOZGFUXMNM-UHFFFAOYSA-N -1 1 310.300 2.372 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nc2n(n1)CCCC2 ZINC000931703220 694458525 /nfs/dbraw/zinc/45/85/25/694458525.db2.gz HBVXVAMOCOXKQQ-UHFFFAOYSA-N -1 1 321.768 2.295 20 10 DECDMM [O-]c1cc(F)c(F)cc1CN1CCN2CC(F)(F)C[C@H]2C1 ZINC001142527585 780794649 /nfs/dbraw/zinc/79/46/49/780794649.db2.gz ZWPAVSHVXMSIBX-JTQLQIEISA-N -1 1 304.287 2.196 20 10 DECDMM O=C(CNc1ncccc1OC(F)F)c1ccc([O-])c(O)c1 ZINC001170316915 786906781 /nfs/dbraw/zinc/90/67/81/786906781.db2.gz VDHARONDISYGJE-UHFFFAOYSA-N -1 1 310.256 2.389 20 10 DECDMM O=C(CNc1cccc(-c2nc[nH]n2)c1)c1ccc([O-])c(O)c1 ZINC001170322955 786907570 /nfs/dbraw/zinc/90/75/70/786907570.db2.gz PQTHZTMJNHTKTA-UHFFFAOYSA-N -1 1 310.313 2.178 20 10 DECDMM O=C(NCc1cc(Cl)ccc1O)C(=O)c1ccc([O-])cc1 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COc1ccc(O)c([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001641258975 1078702400 /nfs/dbraw/zinc/70/24/00/1078702400.db2.gz RWRQCCZSSYKGIU-QMMMGPOBSA-N -1 1 321.304 2.442 20 10 DECDMM Cc1nc2ccccn2c1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001641915033 1078734465 /nfs/dbraw/zinc/73/44/65/1078734465.db2.gz GOXJQISLJVBIEU-UHFFFAOYSA-N -1 1 315.304 2.123 20 10 DECDMM C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2[O-])C[C@H]1O ZINC001235298700 1079011743 /nfs/dbraw/zinc/01/17/43/1079011743.db2.gz SXFFWHSBAVDZOE-PRHODGIISA-N -1 1 318.186 2.497 20 10 DECDMM COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])n1C ZINC001648606463 1075002283 /nfs/dbraw/zinc/00/22/83/1075002283.db2.gz QUVPAMZTRCOWPH-UHFFFAOYSA-N -1 1 322.748 2.101 20 10 DECDMM O=C([O-])[C@H](NCc1cc2c(cc1O)OCO2)c1cccs1 ZINC001601675151 1077431066 /nfs/dbraw/zinc/43/10/66/1077431066.db2.gz WNZXROPTVHDGGP-CYBMUJFWSA-N -1 1 307.327 2.098 20 10 DECDMM O=C([O-])[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001608533491 1077651633 /nfs/dbraw/zinc/65/16/33/1077651633.db2.gz PSIGHOYUQZMFOR-CYBMUJFWSA-N -1 1 313.781 2.405 20 10 DECDMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001609835256 1077933919 /nfs/dbraw/zinc/93/39/19/1077933919.db2.gz SZJZWXXWOMHNEY-XCBNKYQSSA-N -1 1 314.725 2.249 20 10 DECDMM NC(=O)CN(Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001658219013 1080201395 /nfs/dbraw/zinc/20/13/95/1080201395.db2.gz QQPSFNWBRGSWAA-UHFFFAOYSA-N -1 1 306.312 2.158 20 10 DECDMM Cn1nccc1[C@@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001660153053 1080275961 /nfs/dbraw/zinc/27/59/61/1080275961.db2.gz GNOIIWNRACKBQX-AWEZNQCLSA-N -1 1 307.781 2.353 20 10 DECDMM CC(=O)OC1CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236663225 1138391999 /nfs/dbraw/zinc/39/19/99/1138391999.db2.gz FHCZURNOJQFJAL-UHFFFAOYSA-N -1 1 314.179 2.210 20 10 DECDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC(N2CCOCC2)C1 ZINC001236795296 1138430415 /nfs/dbraw/zinc/43/04/15/1138430415.db2.gz CVMNSVHYBCXOJX-UHFFFAOYSA-N -1 1 317.216 2.215 20 10 DECDMM CCN1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1=O ZINC001237084964 1138500263 /nfs/dbraw/zinc/50/02/63/1138500263.db2.gz QXUUUTJXOVMWNR-UHFFFAOYSA-N -1 1 303.189 2.363 20 10 DECDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccncc1 ZINC001253715535 1142896530 /nfs/dbraw/zinc/89/65/30/1142896530.db2.gz JWCDISXODTWPPL-UHFFFAOYSA-N -1 1 304.371 2.464 20 10 DECDMM O=S(=O)(Nc1ccc([S-])cc1)c1cccc2nonc21 ZINC001260441169 1144187239 /nfs/dbraw/zinc/18/72/39/1144187239.db2.gz SBCCYOWTKQTEIO-UHFFFAOYSA-N -1 1 307.356 2.312 20 10 DECDMM COc1ncc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001305084995 1147365707 /nfs/dbraw/zinc/36/57/07/1147365707.db2.gz PSINYJWDEWIIOG-AATRIKPKSA-N -1 1 319.748 2.174 20 10 DECDMM CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000194805215 529899586 /nfs/dbraw/zinc/89/95/86/529899586.db2.gz FOZNIIADARKISL-AWEZNQCLSA-N -1 1 324.808 2.349 20 10 DECDMM CC(C)CN1C(=O)C(=CNc2cccc(F)c2)C(=O)[N-]C1=S ZINC000060861056 354621189 /nfs/dbraw/zinc/62/11/89/354621189.db2.gz KWXVBHVCRXWGTI-GHXNOFRVSA-N -1 1 321.377 2.021 20 10 DECDMM CC(C)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273502455 535342632 /nfs/dbraw/zinc/34/26/32/535342632.db2.gz YYBGDJUGDYUSBB-UHFFFAOYSA-N -1 1 311.363 2.012 20 10 DECDMM C[C@H](CF)NC(=O)NCc1cccc(Br)c1[O-] ZINC000289243121 131368832 /nfs/dbraw/zinc/36/88/32/131368832.db2.gz SUMMCPXMYRPPGP-SSDOTTSWSA-N -1 1 305.147 2.312 20 10 DECDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ccccc1O ZINC000269167714 403124191 /nfs/dbraw/zinc/12/41/91/403124191.db2.gz WJKZFMYLFDDILP-UHFFFAOYSA-N -1 1 319.386 2.190 20 10 DECDMM C[C@@H](CCc1cccn1C)NC(=O)c1c([O-])c(O)ccc1F ZINC000276571100 403187523 /nfs/dbraw/zinc/18/75/23/403187523.db2.gz KJGFKUAOOJOKMT-JTQLQIEISA-N -1 1 306.337 2.327 20 10 DECDMM CC[C@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000295337577 403866349 /nfs/dbraw/zinc/86/63/49/403866349.db2.gz XZEBJKKILYMKTA-LBPRGKRZSA-N -1 1 323.393 2.225 20 10 DECDMM CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295506229 403961882 /nfs/dbraw/zinc/96/18/82/403961882.db2.gz 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ZINC000894659250 637156984 /nfs/dbraw/zinc/15/69/84/637156984.db2.gz VPJMFWYMRZEBRS-UHFFFAOYSA-N -1 1 308.712 2.474 20 10 DECDMM COc1c([O-])c(CN2CCn3cccc3C2)ccc1[N+](=O)[O-] ZINC000896761989 638669700 /nfs/dbraw/zinc/66/97/00/638669700.db2.gz XZUMMRWDUNLGRC-UHFFFAOYSA-N -1 1 303.318 2.126 20 10 DECDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/C1=Cc2ccccc2OC1 ZINC000728697559 639288520 /nfs/dbraw/zinc/28/85/20/639288520.db2.gz RYBLXNOVBIDQKY-LFIBNONCSA-N -1 1 318.332 2.467 20 10 DECDMM Cc1nccc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765725944 640812706 /nfs/dbraw/zinc/81/27/06/640812706.db2.gz APDVLBYTECOOLN-UHFFFAOYSA-N -1 1 322.162 2.183 20 10 DECDMM COc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1F ZINC000769891771 641305652 /nfs/dbraw/zinc/30/56/52/641305652.db2.gz USTRQUVIEAFRHV-UHFFFAOYSA-N -1 1 323.305 2.171 20 10 DECDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000771219937 641482201 /nfs/dbraw/zinc/48/22/01/641482201.db2.gz NIDWNOBZCFTRIM-UHFFFAOYSA-N -1 1 321.354 2.288 20 10 DECDMM Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1F ZINC000775675066 642077716 /nfs/dbraw/zinc/07/77/16/642077716.db2.gz RCNGBHZGJHIBHB-UHFFFAOYSA-N -1 1 307.306 2.471 20 10 DECDMM CCN(CC(=O)OC)Cc1cc(C)cc(Br)c1[O-] ZINC000781913563 642797779 /nfs/dbraw/zinc/79/77/79/642797779.db2.gz RDONTZZHOQMHHP-UHFFFAOYSA-N -1 1 316.195 2.458 20 10 DECDMM O=C(C=Cc1cccc(O)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784061480 643091420 /nfs/dbraw/zinc/09/14/20/643091420.db2.gz KTDOJNJPAOKHMX-DAXSKMNVSA-N -1 1 314.293 2.243 20 10 DECDMM CCO[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)C ZINC000784145028 643101793 /nfs/dbraw/zinc/10/17/93/643101793.db2.gz WAMPITUXLPJLTD-OAHLLOKOSA-N -1 1 310.346 2.275 20 10 DECDMM O=C(CSc1ccncc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784544080 643150064 /nfs/dbraw/zinc/15/00/64/643150064.db2.gz DCPPNRKCGKUFAJ-UHFFFAOYSA-N -1 1 319.338 2.011 20 10 DECDMM O=C(COC(=O)c1csc(Cl)n1)c1ccc([O-])c(O)c1 ZINC000784840519 643175817 /nfs/dbraw/zinc/17/58/17/643175817.db2.gz WNNHIGVGNCQLED-UHFFFAOYSA-N -1 1 313.718 2.247 20 10 DECDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000070333308 648905918 /nfs/dbraw/zinc/90/59/18/648905918.db2.gz BYMDFFGMXYZHFR-UHFFFAOYSA-N -1 1 312.278 2.240 20 10 DECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](C2CCOCC2)C1 ZINC000827337362 649017696 /nfs/dbraw/zinc/01/76/96/649017696.db2.gz VTZVABQJTJPXML-NSHDSACASA-N -1 1 309.337 2.126 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000846281887 651320626 /nfs/dbraw/zinc/32/06/26/651320626.db2.gz RJLPAYYJKIDNIZ-RNCFNFMXSA-N -1 1 309.337 2.277 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000846281887 651320628 /nfs/dbraw/zinc/32/06/28/651320628.db2.gz RJLPAYYJKIDNIZ-RNCFNFMXSA-N -1 1 309.337 2.277 20 10 DECDMM CO[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCCC1 ZINC000850039946 651811475 /nfs/dbraw/zinc/81/14/75/651811475.db2.gz ORMZCARYUNFDJX-OAHLLOKOSA-N -1 1 308.330 2.029 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N2CCCC2)c1[O-] ZINC000387236569 685421856 /nfs/dbraw/zinc/42/18/56/685421856.db2.gz PVDCXTCLZMMMLD-UHFFFAOYSA-N -1 1 324.808 2.302 20 10 DECDMM CC(C)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000390548210 685441084 /nfs/dbraw/zinc/44/10/84/685441084.db2.gz OUZSYOCFRXLXKL-XQRVVYSFSA-N -1 1 319.361 2.223 20 10 DECDMM Cc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093900261 684051639 /nfs/dbraw/zinc/05/16/39/684051639.db2.gz OQSQJUOULPYSMY-UHFFFAOYSA-N -1 1 320.370 2.324 20 10 DECDMM CCn1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C ZINC000873486466 689255552 /nfs/dbraw/zinc/25/55/52/689255552.db2.gz MUKVQJATXWTIIZ-UHFFFAOYSA-N -1 1 303.314 2.267 20 10 DECDMM CCN(Cc1nc2c(c(=O)[n-]1)COCC2)c1ccc(OC)cc1 ZINC000878219358 690349584 /nfs/dbraw/zinc/34/95/84/690349584.db2.gz KVMMEBNHHWTPQY-UHFFFAOYSA-N -1 1 315.373 2.290 20 10 DECDMM O=C(CNc1cc(F)c2nccn2c1)c1ccc([O-])c(O)c1 ZINC001170320971 786908206 /nfs/dbraw/zinc/90/82/06/786908206.db2.gz SLVBEHQRILDZGA-UHFFFAOYSA-N -1 1 301.277 2.179 20 10 DECDMM CC(C)(C)c1ncncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170322986 786909602 /nfs/dbraw/zinc/90/96/02/786909602.db2.gz RGYJXPHOESJGDM-UHFFFAOYSA-N -1 1 301.346 2.480 20 10 DECDMM CC(C)(C)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nn1 ZINC001159280458 789117430 /nfs/dbraw/zinc/11/74/30/789117430.db2.gz RVUBPHQJAZPSJT-UHFFFAOYSA-N -1 1 301.346 2.480 20 10 DECDMM [O-]c1c(F)ccc(F)c1CN1CCCN(c2ncccn2)CC1 ZINC001139684082 794888506 /nfs/dbraw/zinc/88/85/06/794888506.db2.gz QIIBVWLGFVEMCG-UHFFFAOYSA-N -1 1 320.343 2.173 20 10 DECDMM Cc1cnc(O[C@@H]2CCN(Cc3c([O-])cc(F)cc3F)C2)nc1 ZINC001140585972 796541784 /nfs/dbraw/zinc/54/17/84/796541784.db2.gz XVQHAIPMEXPRJM-GFCCVEGCSA-N -1 1 321.327 2.422 20 10 DECDMM N=C(N)N(C(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1F ZINC001193237165 797529063 /nfs/dbraw/zinc/52/90/63/797529063.db2.gz ZDJVRVMXLLKPIV-UHFFFAOYSA-N -1 1 323.711 2.431 20 10 DECDMM O=C(NC1(CC2CC2)CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235387 797713562 /nfs/dbraw/zinc/71/35/62/797713562.db2.gz MGJJRSUENBFPRZ-UHFFFAOYSA-N -1 1 315.325 2.267 20 10 DECDMM O=S(=O)([N-]Cc1c(O)cccc1F)c1cc(F)ccc1F ZINC001195135695 797840903 /nfs/dbraw/zinc/84/09/03/797840903.db2.gz BEPYVKAJYDPOJM-UHFFFAOYSA-N -1 1 317.288 2.288 20 10 DECDMM O=C(CNC(=S)Nc1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC001196963847 798132042 /nfs/dbraw/zinc/13/20/42/798132042.db2.gz FJMILUFWZWCTEF-UHFFFAOYSA-N -1 1 320.345 2.406 20 10 DECDMM Cc1cnc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC001197298966 798169616 /nfs/dbraw/zinc/16/96/16/798169616.db2.gz VNZYDLGAJGEOLP-UHFFFAOYSA-N -1 1 320.732 2.067 20 10 DECDMM O=C(CNC(=S)Nc1cccc(F)c1)c1ccc([O-])c(O)c1 ZINC001197660616 798219616 /nfs/dbraw/zinc/21/96/16/798219616.db2.gz MHQFSYZMBNRQEG-UHFFFAOYSA-N -1 1 320.345 2.406 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2ncccn2n1 ZINC001159041249 798511995 /nfs/dbraw/zinc/51/19/95/798511995.db2.gz GAFGFDLFXDRPJL-UHFFFAOYSA-N -1 1 302.721 2.018 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(F)cc2n[nH]nc21 ZINC001159041601 798512288 /nfs/dbraw/zinc/51/22/88/798512288.db2.gz UEHGOAPTZHADHI-UHFFFAOYSA-N -1 1 320.711 2.386 20 10 DECDMM CCOc1c(Cl)ncnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279206 798545580 /nfs/dbraw/zinc/54/55/80/798545580.db2.gz LUQQAROITJMYTQ-UHFFFAOYSA-N -1 1 323.736 2.235 20 10 DECDMM CN(Cc1cccc2c1OCO2)Cc1ccc(C(=O)[O-])cc1O ZINC001231453268 801668240 /nfs/dbraw/zinc/66/82/40/801668240.db2.gz KCFDNNCZKGLPMU-UHFFFAOYSA-N -1 1 315.325 2.451 20 10 DECDMM O=C1OC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)CCN12 ZINC001233454874 802120635 /nfs/dbraw/zinc/12/06/35/802120635.db2.gz NEBFIECHTGFXPN-LLVKDONJSA-N -1 1 316.279 2.047 20 10 DECDMM O=C1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]2CCCN12 ZINC001233455031 802120672 /nfs/dbraw/zinc/12/06/72/802120672.db2.gz SSZFHPOBWSOICI-GFCCVEGCSA-N -1 1 314.307 2.218 20 10 DECDMM CC(=O)N(C)C1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454068 802121257 /nfs/dbraw/zinc/12/12/57/802121257.db2.gz FTWKGUVFWRANFE-UHFFFAOYSA-N -1 1 302.296 2.074 20 10 DECDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CN(C(=O)C(C)C)C1 ZINC001233499305 802135117 /nfs/dbraw/zinc/13/51/17/802135117.db2.gz YAQQIAAGGBYZRA-UHFFFAOYSA-N -1 1 321.373 2.326 20 10 DECDMM CCOC(=O)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)C(F)(F)F ZINC001234476952 802389500 /nfs/dbraw/zinc/38/95/00/802389500.db2.gz QEXDBNXSJOHZPH-LLVKDONJSA-N -1 1 322.235 2.173 20 10 DECDMM C[C@@H](O)CC(=O)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937243 803297000 /nfs/dbraw/zinc/29/70/00/803297000.db2.gz GOHUQEYPRDEZCC-SNVBAGLBSA-N -1 1 316.309 2.005 20 10 DECDMM CO[C@H](C)COc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228116361 803321158 /nfs/dbraw/zinc/32/11/58/803321158.db2.gz ZMXBPKRVYDYWDD-SNVBAGLBSA-N -1 1 318.325 2.448 20 10 DECDMM O=C([O-])[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000701094496 954879806 /nfs/dbraw/zinc/87/98/06/954879806.db2.gz OMPIQPXHSBSTHH-SNVBAGLBSA-N -1 1 314.179 2.451 20 10 DECDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000701094496 954879816 /nfs/dbraw/zinc/87/98/16/954879816.db2.gz OMPIQPXHSBSTHH-SNVBAGLBSA-N -1 1 314.179 2.451 20 10 DECDMM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000703775684 977196975 /nfs/dbraw/zinc/19/69/75/977196975.db2.gz DSWAPWCKLWNMBP-ZDUSSCGKSA-N -1 1 320.172 2.375 20 10 DECDMM C[C@@H]1OCC[C@@H]1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594643692 986824667 /nfs/dbraw/zinc/82/46/67/986824667.db2.gz ILKRITBPEJGFRK-WDEREUQCSA-N -1 1 313.781 2.357 20 10 DECDMM C[C@@H]1OCC[C@@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594643692 986824679 /nfs/dbraw/zinc/82/46/79/986824679.db2.gz ILKRITBPEJGFRK-WDEREUQCSA-N -1 1 313.781 2.357 20 10 DECDMM CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001603917885 1070148752 /nfs/dbraw/zinc/14/87/52/1070148752.db2.gz STZIHTWLNDAQSJ-LBPRGKRZSA-N -1 1 319.760 2.495 20 10 DECDMM Cn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1Cl ZINC001606860401 1071228939 /nfs/dbraw/zinc/22/89/39/1071228939.db2.gz KLDYROCTFHSMBO-UHFFFAOYSA-N -1 1 300.145 2.363 20 10 DECDMM O=C(NCCOc1cccnc1)NCc1cccc(Cl)c1[O-] ZINC001631737483 1078371416 /nfs/dbraw/zinc/37/14/16/1078371416.db2.gz HVTWCGCPMMXFCC-UHFFFAOYSA-N -1 1 321.764 2.319 20 10 DECDMM COc1ccccc1[C@H](N)C(=O)NCc1cccc(Cl)c1[O-] ZINC001579302431 1067297630 /nfs/dbraw/zinc/29/76/30/1067297630.db2.gz WSCBJLBHJBWIOV-AWEZNQCLSA-N -1 1 320.776 2.370 20 10 DECDMM NC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640402325 1078658705 /nfs/dbraw/zinc/65/87/05/1078658705.db2.gz PVLQKVSYMPPBHP-UHFFFAOYSA-N -1 1 319.748 2.466 20 10 DECDMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1O ZINC001591769388 1076781364 /nfs/dbraw/zinc/78/13/64/1076781364.db2.gz MRDFNFWHLZMPBQ-QMMMGPOBSA-N -1 1 315.358 2.125 20 10 DECDMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1O ZINC001591769388 1076781368 /nfs/dbraw/zinc/78/13/68/1076781368.db2.gz MRDFNFWHLZMPBQ-QMMMGPOBSA-N -1 1 315.358 2.125 20 10 DECDMM Nc1ccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001608272796 1077619109 /nfs/dbraw/zinc/61/91/09/1077619109.db2.gz LYFCINGDIWMAFV-UHFFFAOYSA-N -1 1 317.414 2.351 20 10 DECDMM COc1ncc(NCc2cccc(Cl)c2[O-])cc1C(N)=O ZINC001657522626 1080177260 /nfs/dbraw/zinc/17/72/60/1080177260.db2.gz IJJQZLYDOZMDDS-UHFFFAOYSA-N -1 1 307.737 2.160 20 10 DECDMM C[C@@H]1[C@H](C)N(Cc2ccc(Cl)cc2[O-])CCS1(=O)=O ZINC001658946669 1080223558 /nfs/dbraw/zinc/22/35/58/1080223558.db2.gz CKFQSOCKBZPAGZ-VHSXEESVSA-N -1 1 303.811 2.053 20 10 DECDMM NC(=O)[C@H]1c2ccccc2CCN1Cc1cc(F)c(F)cc1[O-] ZINC001659074789 1080229546 /nfs/dbraw/zinc/22/95/46/1080229546.db2.gz UJHUBIBCGGMEKX-MRXNPFEDSA-N -1 1 318.323 2.255 20 10 DECDMM NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(F)c(F)cc1[O-] ZINC001659074788 1080230147 /nfs/dbraw/zinc/23/01/47/1080230147.db2.gz UJHUBIBCGGMEKX-INIZCTEOSA-N -1 1 318.323 2.255 20 10 DECDMM CS(=O)(=O)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237082296 1080442254 /nfs/dbraw/zinc/44/22/54/1080442254.db2.gz QUGRARNJSAXGAC-MRVPVSSYSA-N -1 1 324.229 2.318 20 10 DECDMM O=C(NC1CC1)c1c[nH]nc1NCc1cc(Cl)cc(F)c1[O-] ZINC001663451181 1080747334 /nfs/dbraw/zinc/74/73/34/1080747334.db2.gz OPABSUSPVJZOAR-UHFFFAOYSA-N -1 1 324.743 2.412 20 10 DECDMM CC(=O)N(C)C1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236796796 1138429909 /nfs/dbraw/zinc/42/99/09/1138429909.db2.gz RCLYDMJQQYWREG-UHFFFAOYSA-N -1 1 303.189 2.362 20 10 DECDMM C[C@](O)(CNC(=O)c1c(F)ccc(O)c1[O-])C1CCCCC1 ZINC000295546862 403983219 /nfs/dbraw/zinc/98/32/19/403983219.db2.gz WUHMUYGVIRSWFV-INIZCTEOSA-N -1 1 311.353 2.298 20 10 DECDMM COc1c([O-])c(CN2CCC[C@H]2c2ncon2)ccc1[N+](=O)[O-] ZINC000365793112 404721863 /nfs/dbraw/zinc/72/18/63/404721863.db2.gz DSZXMVVHYSGCLK-NSHDSACASA-N -1 1 320.305 2.029 20 10 DECDMM CC(=O)c1cc(F)cc(CN2CCC(CNC(=O)[O-])CC2)c1O ZINC000823628452 604224057 /nfs/dbraw/zinc/22/40/57/604224057.db2.gz QMFXDXGSLBKNGA-UHFFFAOYSA-N -1 1 324.352 2.214 20 10 DECDMM C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000833635717 604548268 /nfs/dbraw/zinc/54/82/68/604548268.db2.gz WLDVWBGBPYGAHI-ONYUAGEFSA-N -1 1 319.361 2.221 20 10 DECDMM O=C(CNC(=O)CC1CCCC1)NCc1cccc(Cl)c1[O-] ZINC000890757704 623195516 /nfs/dbraw/zinc/19/55/16/623195516.db2.gz IOPHQGZJBHKIFU-UHFFFAOYSA-N -1 1 324.808 2.358 20 10 DECDMM CC(=O)N[C@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCCC1 ZINC000890758339 623195751 /nfs/dbraw/zinc/19/57/51/623195751.db2.gz VXHHHUUAYAMPLR-AWEZNQCLSA-N -1 1 324.808 2.357 20 10 DECDMM Cn1ncc2c1C[C@H](C(=O)NCc1cccc(Cl)c1[O-])CC2 ZINC000890759551 623197724 /nfs/dbraw/zinc/19/77/24/623197724.db2.gz NWISATJDFWYORK-SNVBAGLBSA-N -1 1 319.792 2.200 20 10 DECDMM O=C(Cc1cn2c(n1)CCCC2)NCc1cccc(Cl)c1[O-] ZINC000890761523 623200066 /nfs/dbraw/zinc/20/00/66/623200066.db2.gz UVQPIIFTTKTVKN-UHFFFAOYSA-N -1 1 319.792 2.437 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN(C2CC2)C1=O ZINC000890762439 623202607 /nfs/dbraw/zinc/20/26/07/623202607.db2.gz CQWKHMTUAAQNHU-LBPRGKRZSA-N -1 1 322.792 2.063 20 10 DECDMM CCOC(=O)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000890763170 623203219 /nfs/dbraw/zinc/20/32/19/623203219.db2.gz PRLKFKBEYLJFAW-GFCCVEGCSA-N -1 1 313.781 2.497 20 10 DECDMM CC(C)CN1C(=O)C(=CNC2CCCCCC2)C(=O)[N-]C1=S ZINC000255710355 625636820 /nfs/dbraw/zinc/63/68/20/625636820.db2.gz NSWSSINXGBKWMI-UKTHLTGXSA-N -1 1 323.462 2.082 20 10 DECDMM C[C@@H](CO)CCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893874860 636052509 /nfs/dbraw/zinc/05/25/09/636052509.db2.gz IMNKDXSSCUANRJ-SNVBAGLBSA-N -1 1 300.786 2.253 20 10 DECDMM COc1cccc(NC(=S)NN=c2nc(OC)cc(C)[n-]2)c1 ZINC000747653801 638459800 /nfs/dbraw/zinc/45/98/00/638459800.db2.gz GRMXKSRYYSISJR-UHFFFAOYSA-N -1 1 319.390 2.116 20 10 DECDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])C1(O)CCCC1 ZINC000839789775 639853366 /nfs/dbraw/zinc/85/33/66/639853366.db2.gz GPWHINZQEGNLPR-UHFFFAOYSA-N -1 1 311.353 2.298 20 10 DECDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])on1 ZINC000765726371 640812728 /nfs/dbraw/zinc/81/27/28/640812728.db2.gz GLHSTYAVMZWPKO-UHFFFAOYSA-N -1 1 311.135 2.381 20 10 DECDMM Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)o1 ZINC000776280056 642153191 /nfs/dbraw/zinc/15/31/91/642153191.db2.gz ARPRNKZMYYGKLA-UHFFFAOYSA-N -1 1 311.315 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DECDMM COc1c([O-])c(CN[C@@H](C)c2csnn2)ccc1[N+](=O)[O-] ZINC001660049595 1080260285 /nfs/dbraw/zinc/26/02/85/1080260285.db2.gz JRVWFJZKKMKCQK-ZETCQYMHSA-N -1 1 310.335 2.011 20 10 DECDMM O=S(=O)([N-]Cc1ccc(O)cc1O)c1cc2ccccc2o1 ZINC001669845025 1081474554 /nfs/dbraw/zinc/47/45/54/1081474554.db2.gz RSOFICGBAPFWRP-UHFFFAOYSA-N -1 1 319.338 2.323 20 10 DECDMM COc1cccc(OC)c1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001648907724 1082133533 /nfs/dbraw/zinc/13/35/33/1082133533.db2.gz HVTABSBPWXBPGI-UHFFFAOYSA-N -1 1 321.304 2.184 20 10 DECDMM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1O ZINC001235058186 1084292780 /nfs/dbraw/zinc/29/27/80/1084292780.db2.gz YQXRKKWWIUOLKW-PRHODGIISA-N -1 1 318.186 2.497 20 10 DECDMM [O-]c1cc(Cl)c(F)cc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001237935211 1138811043 /nfs/dbraw/zinc/81/10/43/1138811043.db2.gz RNRKCOYIGBIKJP-STQMWFEESA-N -1 1 309.715 2.429 20 10 DECDMM CS(=O)(=O)C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237938016 1138811599 /nfs/dbraw/zinc/81/15/99/1138811599.db2.gz 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/nfs/dbraw/zinc/92/49/49/402924949.db2.gz XQCRLEUNFQMICT-UHFFFAOYSA-N -1 1 314.360 2.489 20 10 DECDMM CC(=O)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000282042665 403116463 /nfs/dbraw/zinc/11/64/63/403116463.db2.gz LFNNDRQXQRMWJI-UHFFFAOYSA-N -1 1 300.152 2.140 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000277528599 403227290 /nfs/dbraw/zinc/22/72/90/403227290.db2.gz MJVURNHWXBYQCQ-SNVBAGLBSA-N -1 1 314.179 2.198 20 10 DECDMM CCc1nn(C)c(CC)c1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000296220879 404148945 /nfs/dbraw/zinc/14/89/45/404148945.db2.gz DFGQSHWFDBXBLT-UHFFFAOYSA-N -1 1 321.352 2.025 20 10 DECDMM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833497379 604557874 /nfs/dbraw/zinc/55/78/74/604557874.db2.gz QHWXHEWJJLNOQH-UHFFFAOYSA-N -1 1 302.714 2.249 20 10 DECDMM Cc1c(CCC(=O)NCc2cccc(Cl)c2[O-])cnn1C ZINC000890759592 623197978 /nfs/dbraw/zinc/19/79/78/623197978.db2.gz DGGQCEZDUJNTSL-UHFFFAOYSA-N -1 1 307.781 2.337 20 10 DECDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])Cn1cccn1 ZINC000892251832 624868081 /nfs/dbraw/zinc/86/80/81/624868081.db2.gz RTAHDQWRNBSBBI-NSHDSACASA-N -1 1 322.796 2.378 20 10 DECDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](O)C1 ZINC000893872883 636051851 /nfs/dbraw/zinc/05/18/51/636051851.db2.gz XFCBZSISAVXUID-JTQLQIEISA-N -1 1 304.159 2.251 20 10 DECDMM CCn1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000840956617 635685664 /nfs/dbraw/zinc/68/56/64/635685664.db2.gz ZDLLQEHJJMZVMT-UHFFFAOYSA-N -1 1 310.741 2.460 20 10 DECDMM CCC[C@@H](O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765757562 640816093 /nfs/dbraw/zinc/81/60/93/640816093.db2.gz QISRWSYARGRQST-SNVBAGLBSA-N -1 1 316.195 2.322 20 10 DECDMM Cc1nc(C(=O)NCc2cccc(Br)c2[O-])co1 ZINC000765766470 640816782 /nfs/dbraw/zinc/81/67/82/640816782.db2.gz XIEUHPOWTCAUBK-UHFFFAOYSA-N -1 1 311.135 2.381 20 10 DECDMM O=C(Cc1cccc(F)c1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784084801 643094683 /nfs/dbraw/zinc/09/46/83/643094683.db2.gz SEFXQVBLKFIUDZ-UHFFFAOYSA-N -1 1 322.263 2.345 20 10 DECDMM C[C@@H]1C[C@]2(C[C@@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCO1 ZINC000784709277 643166284 /nfs/dbraw/zinc/16/62/84/643166284.db2.gz HYCYVLJOJARIQD-HSOHIQCKSA-N -1 1 320.341 2.029 20 10 DECDMM C[C@@H]1C[C@@]2(C[C@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCO1 ZINC000784709281 643166759 /nfs/dbraw/zinc/16/67/59/643166759.db2.gz HYCYVLJOJARIQD-YOIRWDDOSA-N -1 1 320.341 2.029 20 10 DECDMM CCOC1CC(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784910990 643183828 /nfs/dbraw/zinc/18/38/28/643183828.db2.gz NWTXBXPLAJFXJU-UHFFFAOYSA-N -1 1 308.330 2.029 20 10 DECDMM Cc1ccccc1OCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789958032 643795227 /nfs/dbraw/zinc/79/52/27/643795227.db2.gz LALUVTRSLMNFLC-UHFFFAOYSA-N -1 1 305.305 2.354 20 10 DECDMM CC1CCC(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000795951299 644663364 /nfs/dbraw/zinc/66/33/64/644663364.db2.gz PHLLXHXDAMRNOK-UHFFFAOYSA-N -1 1 322.357 2.419 20 10 DECDMM Cc1nn(C(C)C)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000798370576 645006306 /nfs/dbraw/zinc/00/63/06/645006306.db2.gz 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COc1c([O-])c(CN(C)[C@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000848926084 651563940 /nfs/dbraw/zinc/56/39/40/651563940.db2.gz QGAUZBXGFPKZCM-MRVPVSSYSA-N -1 1 322.321 2.193 20 10 DECDMM N#Cc1cn(CC(=O)c2ccc([O-])c(O)c2)c2ccccc2c1=O ZINC000193489051 685042039 /nfs/dbraw/zinc/04/20/39/685042039.db2.gz AZPQOFAHCCQMDU-UHFFFAOYSA-N -1 1 320.304 2.167 20 10 DECDMM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1C ZINC000213369564 685103528 /nfs/dbraw/zinc/10/35/28/685103528.db2.gz GLTXLTOPLGGEDJ-XNTDXEJSSA-N -1 1 308.337 2.465 20 10 DECDMM CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876654865 689890785 /nfs/dbraw/zinc/89/07/85/689890785.db2.gz RKEOFMIKPIZSDO-GFCCVEGCSA-N -1 1 312.360 2.407 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)CC2(C)C)c1[O-] ZINC000931201935 694339175 /nfs/dbraw/zinc/33/91/75/694339175.db2.gz HETYUXKTQQTRIK-UHFFFAOYSA-N -1 1 324.808 2.349 20 10 DECDMM COCCOC(=O)NCc1cccc(Br)c1[O-] ZINC000885143735 691851714 /nfs/dbraw/zinc/85/17/14/691851714.db2.gz NMGZHPFOIKWCBP-UHFFFAOYSA-N -1 1 304.140 2.027 20 10 DECDMM CC(C)(C)C(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527461 780794883 /nfs/dbraw/zinc/79/48/83/780794883.db2.gz VPVRIUHKUFHLTF-UHFFFAOYSA-N -1 1 312.360 2.361 20 10 DECDMM O=C(CNc1cccc2ccc(=O)oc21)c1ccc([O-])c(O)c1 ZINC001170315083 786904849 /nfs/dbraw/zinc/90/48/49/786904849.db2.gz PEZSSPXUSNPUEX-UHFFFAOYSA-N -1 1 311.293 2.499 20 10 DECDMM Cc1c(F)cnc(NCC(=O)c2ccc([O-])c(O)c2)c1[N+](=O)[O-] ZINC001170316748 786906814 /nfs/dbraw/zinc/90/68/14/786906814.db2.gz MPBNCMKHAYMTPE-UHFFFAOYSA-N -1 1 321.264 2.143 20 10 DECDMM Cc1nc(Cl)c(C)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170317050 786906919 /nfs/dbraw/zinc/90/69/19/786906919.db2.gz WXIKXTKIRGKOSE-UHFFFAOYSA-N -1 1 307.737 2.453 20 10 DECDMM O=C(CNC(=O)[C@H]1C[C@@H]1c1cccs1)c1ccc([O-])c(O)c1 ZINC001177543904 794696974 /nfs/dbraw/zinc/69/69/74/794696974.db2.gz NKHHHUVJMKJOEU-QWRGUYRKSA-N -1 1 317.366 2.262 20 10 DECDMM [O-]c1c(F)ccc(F)c1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001139683174 794839943 /nfs/dbraw/zinc/83/99/43/794839943.db2.gz APSPDYGVCHUJFD-GFCCVEGCSA-N -1 1 311.250 2.417 20 10 DECDMM CCn1cc2c(n1)CN(Cc1cccc(F)c1[O-])C[C@H]2COC ZINC001138125469 796167320 /nfs/dbraw/zinc/16/73/20/796167320.db2.gz QATJFIWMMYYKMW-ZDUSSCGKSA-N -1 1 319.380 2.494 20 10 DECDMM CCOC(=O)c1nc2c(o1)CCN(Cc1cccc(F)c1[O-])C2 ZINC001138129507 796167998 /nfs/dbraw/zinc/16/79/98/796167998.db2.gz HVKYUVKXPJHHFV-UHFFFAOYSA-N -1 1 320.320 2.254 20 10 DECDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2ccccn2)CC1 ZINC001142512697 796746320 /nfs/dbraw/zinc/74/63/20/796746320.db2.gz IRBJDGUNNPRQJH-UHFFFAOYSA-N -1 1 319.355 2.383 20 10 DECDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@](F)(CO)CC1 ZINC001193218750 797524335 /nfs/dbraw/zinc/52/43/35/797524335.db2.gz DCLISRIQIZKZON-CQSZACIVSA-N -1 1 317.744 2.078 20 10 DECDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001193233129 797527740 /nfs/dbraw/zinc/52/77/40/797527740.db2.gz VDOPGMODCZQWNI-SECBINFHSA-N -1 1 321.764 2.494 20 10 DECDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2ncccc2C1 ZINC001193225068 797534627 /nfs/dbraw/zinc/53/46/27/797534627.db2.gz HMJSKZPKTPPBDQ-UHFFFAOYSA-N -1 1 304.733 2.345 20 10 DECDMM CC(C)(C)c1ccnc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159276153 798545465 /nfs/dbraw/zinc/54/54/65/798545465.db2.gz FOESBLAXMZJOJH-UHFFFAOYSA-N -1 1 301.346 2.480 20 10 DECDMM COC(=O)c1cc(Br)c([O-])c(CN(C)CCF)c1 ZINC001233309648 802071186 /nfs/dbraw/zinc/07/11/86/802071186.db2.gz VCVPCMYMHCNINH-UHFFFAOYSA-N -1 1 320.158 2.343 20 10 DECDMM O=C1CN(Cc2cccc(C(F)(F)F)c2[O-])C[C@H]2CCCN12 ZINC001233418876 802113204 /nfs/dbraw/zinc/11/32/04/802113204.db2.gz ZSFIYIGSXOPUQP-LLVKDONJSA-N -1 1 314.307 2.218 20 10 DECDMM CCOC(=O)N1CCC(Oc2cc([O-])c(O)cc2C(C)=O)CC1 ZINC001234473884 802390325 /nfs/dbraw/zinc/39/03/25/802390325.db2.gz LMZNYMVWNIABGW-UHFFFAOYSA-N -1 1 323.345 2.300 20 10 DECDMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000235309158 960408603 /nfs/dbraw/zinc/40/86/03/960408603.db2.gz ARXJNGVEDIMIQO-KCJUWKMLSA-N 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1 314.179 2.498 20 10 DECDMM O=C([O-])[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715763039 977781675 /nfs/dbraw/zinc/78/16/75/977781675.db2.gz NQLZGUMLKDQCMT-ZETCQYMHSA-N -1 1 318.142 2.200 20 10 DECDMM CN(Cc1cnc[nH]1)c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598504944 992490674 /nfs/dbraw/zinc/49/06/74/992490674.db2.gz CFGJPWSGOXDZMQ-HYXAFXHYSA-N -1 1 302.290 2.052 20 10 DECDMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1O ZINC001605441931 1070713532 /nfs/dbraw/zinc/71/35/32/1070713532.db2.gz RUBAMQQHFFXLDI-VIFPVBQESA-N -1 1 323.360 2.413 20 10 DECDMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1O ZINC001605441931 1070713546 /nfs/dbraw/zinc/71/35/46/1070713546.db2.gz RUBAMQQHFFXLDI-VIFPVBQESA-N -1 1 323.360 2.413 20 10 DECDMM Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001606860179 1071229223 /nfs/dbraw/zinc/22/92/23/1071229223.db2.gz GSDVDHJJUVOAHB-UHFFFAOYSA-N -1 1 321.720 2.466 20 10 DECDMM Cc1cc(CNC(=O)NCc2cccc(Cl)c2[O-])ncn1 ZINC001469649857 1059987215 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C[C@@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@H]1O ZINC001233028316 802007054 /nfs/dbraw/zinc/00/70/54/802007054.db2.gz NFYFIOKQUPMYKQ-PELKAZGASA-N -1 1 318.186 2.497 20 10 DECDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1C[C@@H](O)C1 ZINC001218414857 802178779 /nfs/dbraw/zinc/17/87/79/802178779.db2.gz CBYZCIUIKRYDKE-AOOOYVTPSA-N -1 1 310.305 2.070 20 10 DECDMM COC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])c(O)cc2C(C)=O)C1 ZINC001234475245 802390087 /nfs/dbraw/zinc/39/00/87/802390087.db2.gz FCTNCECCBYNWGS-MNOVXSKESA-N -1 1 308.330 2.411 20 10 DECDMM Cc1nn(C)cc1CCC(=O)NCc1cccc(Cl)c1[O-] ZINC001334427904 1150302260 /nfs/dbraw/zinc/30/22/60/1150302260.db2.gz NDJDMFZXHJVBRC-UHFFFAOYSA-N -1 1 307.781 2.337 20 10 DECDMM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001330286911 957720854 /nfs/dbraw/zinc/72/08/54/957720854.db2.gz UOEACXZDNNABSZ-ZKCHVHJHSA-N -1 1 300.152 2.108 20 10 DECDMM Cc1nn2cccnc2c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001606860308 1071229511 /nfs/dbraw/zinc/22/95/11/1071229511.db2.gz 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CC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]1C ZINC001237941170 1138811692 /nfs/dbraw/zinc/81/16/92/1138811692.db2.gz QSUYBVTTYLMKPX-SECBINFHSA-N -1 1 300.761 2.237 20 10 DECDMM COC(=O)C(C)(C)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001340001117 1143229103 /nfs/dbraw/zinc/22/91/03/1143229103.db2.gz AVATZUIJAZBMTQ-UHFFFAOYSA-N -1 1 314.769 2.044 20 10 DECDMM CO[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccc(F)cc1 ZINC001306661051 1147388058 /nfs/dbraw/zinc/38/80/58/1147388058.db2.gz RPCWTTWGXJXBCV-CYBMUJFWSA-N -1 1 323.295 2.494 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])C1=COCCC1 ZINC000277617639 403237472 /nfs/dbraw/zinc/23/74/72/403237472.db2.gz VVTLRAATZQUEQH-UHFFFAOYSA-N -1 1 312.163 2.465 20 10 DECDMM NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295243755 403809910 /nfs/dbraw/zinc/80/99/10/403809910.db2.gz FGGLGIHCGRUKQL-SECBINFHSA-N -1 1 300.761 2.272 20 10 DECDMM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)S1(=O)=O ZINC000289921487 404009610 /nfs/dbraw/zinc/00/96/10/404009610.db2.gz VRZSWBAOPLZHAT-WDEREUQCSA-N -1 1 317.838 2.443 20 10 DECDMM Cn1cc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)cn1 ZINC000180241000 527252655 /nfs/dbraw/zinc/25/26/55/527252655.db2.gz HPJAOXIBPZVRMV-UHFFFAOYSA-N -1 1 306.797 2.101 20 10 DECDMM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000235774399 604673753 /nfs/dbraw/zinc/67/37/53/604673753.db2.gz HMTSGMAMDFNSDX-ZDUSSCGKSA-N -1 1 314.179 2.451 20 10 DECDMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000235774399 604673757 /nfs/dbraw/zinc/67/37/57/604673757.db2.gz HMTSGMAMDFNSDX-ZDUSSCGKSA-N -1 1 314.179 2.451 20 10 DECDMM O=C(CNC(=O)C1CCCCC1)NCc1cccc(Cl)c1[O-] ZINC000890758557 623196910 /nfs/dbraw/zinc/19/69/10/623196910.db2.gz PPIDIMOMCHUFTD-UHFFFAOYSA-N -1 1 324.808 2.358 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCC[C@@H]1CCO ZINC000894321487 636838056 /nfs/dbraw/zinc/83/80/56/636838056.db2.gz MGGSTWNMIISUST-MFKMUULPSA-N -1 1 312.797 2.396 20 10 DECDMM O=C(NCCOCC(F)F)NCc1cccc(Cl)c1[O-] ZINC000894368512 636948123 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C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C[C@@H]1O ZINC001233029069 802009469 /nfs/dbraw/zinc/00/94/69/802009469.db2.gz YWCBEKWHKLDRQE-OQPBUACISA-N -1 1 318.186 2.497 20 10 DECDMM O=C(C1CCC1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335199 802080709 /nfs/dbraw/zinc/08/07/09/802080709.db2.gz LJDIMIXTGONLOQ-UHFFFAOYSA-N -1 1 310.344 2.115 20 10 DECDMM C[C@H](C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC000715778990 955118361 /nfs/dbraw/zinc/11/83/61/955118361.db2.gz LWLOBPWRWOETBA-SSDOTTSWSA-N -1 1 320.158 2.446 20 10 DECDMM C[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598507537 992526310 /nfs/dbraw/zinc/52/63/10/992526310.db2.gz OJQFWHFZXBXZIP-ZDUSSCGKSA-N -1 1 315.316 2.125 20 10 DECDMM C[C@@](CCF)([NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC001604141440 1070241234 /nfs/dbraw/zinc/24/12/34/1070241234.db2.gz CPPLAICENRFXHU-LBPRGKRZSA-N -1 1 320.158 2.447 20 10 DECDMM COc1ccc(C(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000041366074 1078279518 /nfs/dbraw/zinc/27/95/18/1078279518.db2.gz 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ZINC001593465447 1077006030 /nfs/dbraw/zinc/00/60/30/1077006030.db2.gz ATTIWPMDOVBTRM-UHFFFAOYSA-N -1 1 324.300 2.001 20 10 DECDMM COC(=O)[C@@H]1COCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795498 1079936666 /nfs/dbraw/zinc/93/66/66/1079936666.db2.gz FHVMDPWAZPHITA-NSHDSACASA-N -1 1 320.172 2.073 20 10 DECDMM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H](C)S1(=O)=O ZINC001664906200 1080979341 /nfs/dbraw/zinc/97/93/41/1080979341.db2.gz RLJYHLRHDYXEBT-UWVGGRQHSA-N -1 1 303.811 2.053 20 10 DECDMM CCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1=O ZINC001236795172 1138430673 /nfs/dbraw/zinc/43/06/73/1138430673.db2.gz AHNKFFBPYOCIRT-UHFFFAOYSA-N -1 1 303.189 2.363 20 10 DECDMM CC(=O)[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCO1 ZINC001237087360 1138499928 /nfs/dbraw/zinc/49/99/28/1138499928.db2.gz WICHBZQMAAQHPV-LBPRGKRZSA-N -1 1 304.173 2.489 20 10 DECDMM COc1ccccc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001259300692 1144086337 /nfs/dbraw/zinc/08/63/37/1144086337.db2.gz XLUDOWUUTBUNOP-UHFFFAOYSA-N -1 1 315.297 2.480 20 10 DECDMM O=C(N[C@H]1CCc2ccccc2OC1)c1c(F)ccc(O)c1[O-] ZINC001306835085 1147390298 /nfs/dbraw/zinc/39/02/98/1147390298.db2.gz ZYTKIVWMXAUTML-NSHDSACASA-N -1 1 317.316 2.361 20 10 DECDMM CC[C@H](OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277400254 403213903 /nfs/dbraw/zinc/21/39/03/403213903.db2.gz BHYARDMAZTXWRB-JTQLQIEISA-N -1 1 302.168 2.196 20 10 DECDMM Oc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823733391 606463232 /nfs/dbraw/zinc/46/32/32/606463232.db2.gz WHNIZRFODHZVFL-UHFFFAOYSA-N -1 1 302.725 2.233 20 10 DECDMM Oc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823733391 606463234 /nfs/dbraw/zinc/46/32/34/606463234.db2.gz WHNIZRFODHZVFL-UHFFFAOYSA-N -1 1 302.725 2.233 20 10 DECDMM C[C@H](NC(=O)C1CCCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758434 623196069 /nfs/dbraw/zinc/19/60/69/623196069.db2.gz YHXLSZZKGMNQEZ-JTQLQIEISA-N -1 1 324.808 2.357 20 10 DECDMM CC(C)NC(=O)CCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759336 623197475 /nfs/dbraw/zinc/19/74/75/623197475.db2.gz ABVJEPJMVZAGQI-UHFFFAOYSA-N -1 1 312.797 2.357 20 10 DECDMM O=C(CCCn1ccccc1=O)NCc1cccc(Cl)c1[O-] ZINC000890760572 623198697 /nfs/dbraw/zinc/19/86/97/623198697.db2.gz UCPTWZLAMLTURF-UHFFFAOYSA-N -1 1 320.776 2.304 20 10 DECDMM C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000757637806 639862061 /nfs/dbraw/zinc/86/20/61/639862061.db2.gz NXCWICLHIPNBSN-VIFPVBQESA-N -1 1 324.331 2.128 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc[nH]c1=O ZINC000765727818 640813114 /nfs/dbraw/zinc/81/31/14/640813114.db2.gz OZOWPDMGRGAAOB-UHFFFAOYSA-N -1 1 323.146 2.185 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])C1=CCCCO1 ZINC000765758447 640813524 /nfs/dbraw/zinc/81/35/24/640813524.db2.gz WPEUYWKAHRHTGO-UHFFFAOYSA-N -1 1 312.163 2.465 20 10 DECDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cc2n(n1)CCCC2 ZINC000898394629 641646432 /nfs/dbraw/zinc/64/64/32/641646432.db2.gz PDNWTRJKYWCBEH-VIFPVBQESA-N -1 1 319.336 2.261 20 10 DECDMM CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000775194779 642015085 /nfs/dbraw/zinc/01/50/85/642015085.db2.gz YQAHILOWQMQDHW-ZDUSSCGKSA-N -1 1 317.838 2.445 20 10 DECDMM COc1ccc(N(CCC(C)C)Cc2nc(=O)n(C)[n-]2)cc1 ZINC000796505060 644746507 /nfs/dbraw/zinc/74/65/07/644746507.db2.gz PKOTUVFAEYHMJU-UHFFFAOYSA-N -1 1 304.394 2.170 20 10 DECDMM NC(=O)NC(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000802660079 645540838 /nfs/dbraw/zinc/54/08/38/645540838.db2.gz AKHLJXQTPDMILR-UHFFFAOYSA-N -1 1 319.748 2.466 20 10 DECDMM COc1ccc(O)c([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000806791669 645872965 /nfs/dbraw/zinc/87/29/65/645872965.db2.gz GLGJCVSQTTXTTJ-SNVBAGLBSA-N -1 1 315.325 2.167 20 10 DECDMM Cc1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060860814 646642882 /nfs/dbraw/zinc/64/28/82/646642882.db2.gz UIKBSLSUEKQEOJ-WQLSENKSSA-N -1 1 317.414 2.190 20 10 DECDMM COCCn1ccc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000930111655 648199188 /nfs/dbraw/zinc/19/91/88/648199188.db2.gz YQUNAYZMIUILQJ-UHFFFAOYSA-N -1 1 324.768 2.210 20 10 DECDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC2(CCCC2)O1 ZINC000844153557 651083988 /nfs/dbraw/zinc/08/39/88/651083988.db2.gz YBWKNRVSSRKQLT-SNVBAGLBSA-N -1 1 309.337 2.411 20 10 DECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@]2(CC2(F)F)C1 ZINC000846665101 651344121 /nfs/dbraw/zinc/34/41/21/651344121.db2.gz RISXGYDZEVXQCG-ZDUSSCGKSA-N -1 1 301.264 2.498 20 10 DECDMM C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(Br)c1O ZINC000130976427 684194917 /nfs/dbraw/zinc/19/49/17/684194917.db2.gz AAQNXZLLFORWPR-XLFHBGCDSA-N -1 1 320.252 2.354 20 10 DECDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)c1ccc(N)cc1 ZINC000877079924 690013741 /nfs/dbraw/zinc/01/37/41/690013741.db2.gz BGRHPWBBTRMXNC-UHFFFAOYSA-N -1 1 300.362 2.473 20 10 DECDMM CO[C@@]1(C(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000881686686 691143360 /nfs/dbraw/zinc/14/33/60/691143360.db2.gz VZOIRFNMFLQPRI-LBPRGKRZSA-N -1 1 323.242 2.030 20 10 DECDMM CSC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC001331994251 1149805397 /nfs/dbraw/zinc/80/53/97/1149805397.db2.gz FLBFJZWOFJERFB-VIFPVBQESA-N -1 1 320.208 2.061 20 10 DECDMM [O-]c1c(CN2CCNCC(F)(F)C2)cccc1C(F)(F)F ZINC001211348281 777037046 /nfs/dbraw/zinc/03/70/46/777037046.db2.gz WRTBQQQYNAFODM-UHFFFAOYSA-N -1 1 310.266 2.452 20 10 DECDMM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142525098 780793865 /nfs/dbraw/zinc/79/38/65/780793865.db2.gz XHFSCBVIAXYORD-JTQLQIEISA-N -1 1 307.243 2.053 20 10 DECDMM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H](O)C1 ZINC001144298816 790848389 /nfs/dbraw/zinc/84/83/89/790848389.db2.gz JSVQTIDYRDDOKT-VIFPVBQESA-N -1 1 304.159 2.251 20 10 DECDMM C[C@@H]1C(=O)Nc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170315414 786903835 /nfs/dbraw/zinc/90/38/35/786903835.db2.gz XVGODOQPFPRLBG-VIFPVBQESA-N -1 1 312.325 2.448 20 10 DECDMM CCc1ncc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316913 786906331 /nfs/dbraw/zinc/90/63/31/786906331.db2.gz VBVHGWSTNSATHU-UHFFFAOYSA-N -1 1 307.737 2.398 20 10 DECDMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cccc(O)c1O ZINC001148212135 791710254 /nfs/dbraw/zinc/71/02/54/791710254.db2.gz NTWGFNIRPOVFEN-UHFFFAOYSA-N -1 1 311.297 2.241 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1[O-] ZINC001171660322 793162884 /nfs/dbraw/zinc/16/28/84/793162884.db2.gz XOUHSEANRXIDGN-LPEHRKFASA-N -1 1 324.808 2.346 20 10 DECDMM O=C(Cc1ccc2cc[nH]c2c1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181809469 795538486 /nfs/dbraw/zinc/53/84/86/795538486.db2.gz IEHURUQAPKKYPX-UHFFFAOYSA-N -1 1 324.336 2.121 20 10 DECDMM COC(=O)[C@@H]1CC(F)(F)CN1Cc1c([O-])cccc1Cl ZINC001140341587 796508937 /nfs/dbraw/zinc/50/89/37/796508937.db2.gz XNNWTPFYQONSHF-JTQLQIEISA-N -1 1 305.708 2.428 20 10 DECDMM COc1ncnc2c1CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142524605 796747281 /nfs/dbraw/zinc/74/72/81/796747281.db2.gz CWIOQDRALNMQHV-UHFFFAOYSA-N -1 1 307.300 2.027 20 10 DECDMM O=C(CNc1nc(Cl)ncc1Cl)c1ccc([O-])c(O)c1 ZINC001159272809 798544549 /nfs/dbraw/zinc/54/45/49/798544549.db2.gz QGFLSDVYCRYGON-UHFFFAOYSA-N -1 1 314.128 2.489 20 10 DECDMM Cc1cccc([C@H](O)CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001160980809 798774853 /nfs/dbraw/zinc/77/48/53/798774853.db2.gz PHHSUBJGKOKROK-CYBMUJFWSA-N -1 1 305.305 2.009 20 10 DECDMM O=C([O-])c1ccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c([O-])c1 ZINC001231450587 801667236 /nfs/dbraw/zinc/66/72/36/801667236.db2.gz SYSDKFQPZVTZMP-CQSZACIVSA-N -1 1 305.374 2.075 20 10 DECDMM [O-]c1cc(O)c(CN2C[C@H](CO)CC(F)(F)C2)cc1Cl ZINC001232259497 801831209 /nfs/dbraw/zinc/83/12/09/801831209.db2.gz KGFGEGMXWDZDAZ-MRVPVSSYSA-N -1 1 307.724 2.201 20 10 DECDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2cccnc2)CC1 ZINC001233332449 802077839 /nfs/dbraw/zinc/07/78/39/802077839.db2.gz LSLMRXVKUMKLFL-UHFFFAOYSA-N -1 1 305.328 2.388 20 10 DECDMM [O-]c1ccc(F)c(F)c1CN1CCN(Cc2ccncc2)CC1 ZINC001233334751 802080224 /nfs/dbraw/zinc/08/02/24/802080224.db2.gz RYFFNERDQIIBFL-UHFFFAOYSA-N -1 1 319.355 2.383 20 10 DECDMM CCN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1=O ZINC001233418414 802111112 /nfs/dbraw/zinc/11/11/12/802111112.db2.gz GKGHHVVSPGPMMP-UHFFFAOYSA-N -1 1 302.296 2.075 20 10 DECDMM CS(=O)(=O)[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418469 802111766 /nfs/dbraw/zinc/11/17/66/802111766.db2.gz IJOBJBIUYKOBOL-JTQLQIEISA-N -1 1 323.336 2.030 20 10 DECDMM COC[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419446 802113109 /nfs/dbraw/zinc/11/31/09/802113109.db2.gz XZHZJCVBEDQBLZ-LLVKDONJSA-N -1 1 305.296 2.258 20 10 DECDMM O=C([O-])CSCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001595126854 952017926 /nfs/dbraw/zinc/01/79/26/952017926.db2.gz YYDMDLVKXDZEEL-UHFFFAOYSA-N -1 1 324.185 2.133 20 10 DECDMM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706626432 954953412 /nfs/dbraw/zinc/95/34/12/954953412.db2.gz SDOKVANXSWDLOI-CYBMUJFWSA-N -1 1 314.179 2.451 20 10 DECDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706626432 954953417 /nfs/dbraw/zinc/95/34/17/954953417.db2.gz SDOKVANXSWDLOI-CYBMUJFWSA-N -1 1 314.179 2.451 20 10 DECDMM Cc1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1C(=O)[O-] ZINC001605207293 972948483 /nfs/dbraw/zinc/94/84/83/972948483.db2.gz MPALLWGKZHMSED-UHFFFAOYSA-N -1 1 305.261 2.496 20 10 DECDMM C[C@H]1CC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001604699347 1070470275 /nfs/dbraw/zinc/47/02/75/1070470275.db2.gz TXCSMENSBZEKDB-GWCFXTLKSA-N -1 1 313.781 2.500 20 10 DECDMM C[C@H]1CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001604699347 1070470277 /nfs/dbraw/zinc/47/02/77/1070470277.db2.gz TXCSMENSBZEKDB-GWCFXTLKSA-N -1 1 313.781 2.500 20 10 DECDMM Cn1cnc2ccc(C(=O)NCc3cccc(Cl)c3[O-])nc21 ZINC001472317033 1060471043 /nfs/dbraw/zinc/47/10/43/1060471043.db2.gz SEHDTDMCMMZVTP-UHFFFAOYSA-N -1 1 316.748 2.257 20 10 DECDMM COc1nccc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001624090737 1078215478 /nfs/dbraw/zinc/21/54/78/1078215478.db2.gz BSIKZWZGVLZMJU-UHFFFAOYSA-N -1 1 308.725 2.166 20 10 DECDMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)cc1 ZINC001638830199 1078581819 /nfs/dbraw/zinc/58/18/19/1078581819.db2.gz QEVHMJSITOKVTF-BMIGLBTASA-N -1 1 319.332 2.397 20 10 DECDMM CCOC(=O)c1cc(C(=O)NCc2cccc(Cl)c2[O-])on1 ZINC001647830265 1074982584 /nfs/dbraw/zinc/98/25/84/1074982584.db2.gz PPTVAPOIFDPCIY-UHFFFAOYSA-N -1 1 324.720 2.140 20 10 DECDMM Cc1[nH]nc(NCC=Cc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC001592330116 1076898357 /nfs/dbraw/zinc/89/83/57/1076898357.db2.gz AHBDRGUFNSKBRJ-PLNGDYQASA-N -1 1 324.392 2.090 20 10 DECDMM Cc1[nH]nc(NCC=Cc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC001592330116 1076898363 /nfs/dbraw/zinc/89/83/63/1076898363.db2.gz AHBDRGUFNSKBRJ-PLNGDYQASA-N -1 1 324.392 2.090 20 10 DECDMM Cc1nc(Sc2ncc(Cl)s2)cc(-c2nnn[n-]2)n1 ZINC001592399785 1076908980 /nfs/dbraw/zinc/90/89/80/1076908980.db2.gz SKMJHPBODRCYMQ-UHFFFAOYSA-N -1 1 311.783 2.226 20 10 DECDMM Cc1nc(Sc2ncc(Cl)s2)cc(-c2nn[n-]n2)n1 ZINC001592399785 1076908989 /nfs/dbraw/zinc/90/89/89/1076908989.db2.gz SKMJHPBODRCYMQ-UHFFFAOYSA-N -1 1 311.783 2.226 20 10 DECDMM COC(=O)CN(CCC(F)(F)F)Cc1cccc(F)c1[O-] ZINC001651796594 1079834168 /nfs/dbraw/zinc/83/41/68/1079834168.db2.gz DGYNREVTGPCFNH-UHFFFAOYSA-N -1 1 309.259 2.459 20 10 DECDMM CC1(C)OC[C@H](/C=C\C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC001653566792 1079932681 /nfs/dbraw/zinc/93/26/81/1079932681.db2.gz BLFAPLOSVWSTQG-ZADCQDASSA-N -1 1 311.765 2.370 20 10 DECDMM CN1CCN(Cc2c([O-])ccc(Cl)c2Cl)CCC1=O ZINC001237082624 1138499767 /nfs/dbraw/zinc/49/97/67/1138499767.db2.gz SUEBSDMHBSPMHP-UHFFFAOYSA-N -1 1 303.189 2.363 20 10 DECDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2cnccn2)CC1 ZINC001237122705 1138507563 /nfs/dbraw/zinc/50/75/63/1138507563.db2.gz XBLPHAZOMWUMRA-UHFFFAOYSA-N -1 1 322.771 2.297 20 10 DECDMM COC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940233 1138811586 /nfs/dbraw/zinc/81/15/86/1138811586.db2.gz CNEBUODLXBXYKF-UHFFFAOYSA-N -1 1 302.733 2.069 20 10 DECDMM COc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001251919639 1142546587 /nfs/dbraw/zinc/54/65/87/1142546587.db2.gz FSWWEXNGRDAQAK-UHFFFAOYSA-N -1 1 315.297 2.480 20 10 DECDMM O=S(=O)(NCc1cccc(Cl)c1[O-])N1CCCCCC1 ZINC001309940555 1147510090 /nfs/dbraw/zinc/51/00/90/1147510090.db2.gz KSLQWAGFFGVMPT-UHFFFAOYSA-N -1 1 318.826 2.256 20 10 DECDMM CC(C)(C)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1=O ZINC001232269182 781984212 /nfs/dbraw/zinc/98/42/12/781984212.db2.gz XKURGECMYROKNW-UHFFFAOYSA-N -1 1 312.797 2.194 20 10 DECDMM CCCCN(CC(N)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091950322 401999580 /nfs/dbraw/zinc/99/95/80/401999580.db2.gz OUYYSKFYOPWEHV-UHFFFAOYSA-N -1 1 315.757 2.041 20 10 DECDMM COc1c([O-])c(CN2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000365815624 286187161 /nfs/dbraw/zinc/18/71/61/286187161.db2.gz GQCJHIVLLSDQGN-UHFFFAOYSA-N -1 1 308.334 2.064 20 10 DECDMM COc1ccc(OC)c2c1C[N@H+](Cc1ccccc1O)C[C@@H]2O ZINC000179554252 402594560 /nfs/dbraw/zinc/59/45/60/402594560.db2.gz YSDFBKZSLGHSOY-HNNXBMFYSA-N -1 1 315.369 2.459 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])C1(O)CCCC1 ZINC000277396196 403213397 /nfs/dbraw/zinc/21/33/97/403213397.db2.gz AZMBFZFMMKLNGU-UHFFFAOYSA-N -1 1 314.179 2.076 20 10 DECDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN(C)C1=O ZINC000271204240 403278340 /nfs/dbraw/zinc/27/83/40/403278340.db2.gz QVWGZWNMRGGBJK-LLVKDONJSA-N -1 1 303.189 2.362 20 10 DECDMM Cc1noc(C)c1C[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295795953 404013816 /nfs/dbraw/zinc/01/38/16/404013816.db2.gz KGBFADHVWLCUKL-SSDOTTSWSA-N -1 1 308.309 2.203 20 10 DECDMM Cc1cc(CN2CCO[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000738233144 599956963 /nfs/dbraw/zinc/95/69/63/599956963.db2.gz LZMSJLBELOTHCD-CQSZACIVSA-N -1 1 307.390 2.284 20 10 DECDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)CNC(=O)[O-])c1[O-] ZINC000823628903 603751786 /nfs/dbraw/zinc/75/17/86/603751786.db2.gz YOPCIKGGTOCMQA-QMMMGPOBSA-N -1 1 314.769 2.336 20 10 DECDMM CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000833506068 605248062 /nfs/dbraw/zinc/24/80/62/605248062.db2.gz RRKXFHXRXYEREK-GFCCVEGCSA-N -1 1 319.760 2.495 20 10 DECDMM CC(C)n1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1N ZINC000890760053 623197453 /nfs/dbraw/zinc/19/74/53/623197453.db2.gz ZMSVDCXSHXQSIT-UHFFFAOYSA-N -1 1 308.769 2.335 20 10 DECDMM CC(C)CC(=O)NCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760357 623198385 /nfs/dbraw/zinc/19/83/85/623198385.db2.gz PJYBZZBCOZMSJS-UHFFFAOYSA-N -1 1 312.797 2.214 20 10 DECDMM CC1(C)OCC(C)(C(=O)NCc2cccc(Cl)c2[O-])CO1 ZINC000890760578 623198569 /nfs/dbraw/zinc/19/85/69/623198569.db2.gz UFKVOTAXPMNGEA-UHFFFAOYSA-N -1 1 313.781 2.451 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCc2c[nH]nc2C1 ZINC000890760558 623198639 /nfs/dbraw/zinc/19/86/39/623198639.db2.gz SZMKZULFVWJSAO-SECBINFHSA-N -1 1 305.765 2.190 20 10 DECDMM Cc1cc(Br)c([O-])c(CN2CN(C)C(=O)[C@@H]2C)c1 ZINC000843435882 623240852 /nfs/dbraw/zinc/24/08/52/623240852.db2.gz VLXZVVNBSIONBC-VIFPVBQESA-N -1 1 313.195 2.083 20 10 DECDMM COCc1nc(NCc2ccc(N(C)C)cc2C)cc(=O)[n-]1 ZINC000892563972 625153674 /nfs/dbraw/zinc/15/36/74/625153674.db2.gz JRGUBTNQTUSDBK-UHFFFAOYSA-N -1 1 302.378 2.315 20 10 DECDMM CN(C)Cc1csc(CNCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000922491727 636203587 /nfs/dbraw/zinc/20/35/87/636203587.db2.gz RRHMYXYRHIPIEA-UHFFFAOYSA-N -1 1 322.390 2.108 20 10 DECDMM Cn1nc(CNCc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000727471114 637957093 /nfs/dbraw/zinc/95/70/93/637957093.db2.gz XXTWPYOVEPZPKF-UHFFFAOYSA-N -1 1 312.329 2.477 20 10 DECDMM O=C(NCCO[C@H]1CC1(F)F)NCc1cccc(Cl)c1[O-] ZINC000895740820 638172023 /nfs/dbraw/zinc/17/20/23/638172023.db2.gz RDLVJFZFZMCZAO-JTQLQIEISA-N -1 1 320.723 2.269 20 10 DECDMM COC[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765726011 640812636 /nfs/dbraw/zinc/81/26/36/640812636.db2.gz BYRSHDYXSISZGR-VIFPVBQESA-N -1 1 316.195 2.444 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCC=CO1 ZINC000765729544 640813084 /nfs/dbraw/zinc/81/30/84/640813084.db2.gz OGOYSZVXIPKDGY-LLVKDONJSA-N -1 1 312.163 2.464 20 10 DECDMM Cc1ncc(C(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000765747098 640814754 /nfs/dbraw/zinc/81/47/54/640814754.db2.gz LOQSKJOXIWQMID-UHFFFAOYSA-N -1 1 310.151 2.116 20 10 DECDMM CN1CCN(c2ccc(/C=C/c3cc(C(=O)[O-])ncn3)cc2)CC1 ZINC000771529934 641522359 /nfs/dbraw/zinc/52/23/59/641522359.db2.gz WSDFUMLUZBUQFX-GORDUTHDSA-N -1 1 324.384 2.097 20 10 DECDMM Cc1cnc(C(=O)NCCCSc2nccs2)c([O-])c1 ZINC000778821365 642435758 /nfs/dbraw/zinc/43/57/58/642435758.db2.gz YQNBJOLIUIGLSH-UHFFFAOYSA-N -1 1 309.416 2.464 20 10 DECDMM O=S(=O)(C[C@H]1CCCCO1)Nc1cc(F)c([O-])cc1Cl ZINC000901963635 642849978 /nfs/dbraw/zinc/84/99/78/642849978.db2.gz XHEQHORAOHCRPZ-MRVPVSSYSA-N -1 1 323.773 2.496 20 10 DECDMM O=C(C=C1CCSCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784507718 643145562 /nfs/dbraw/zinc/14/55/62/643145562.db2.gz HWSYCBCTOARIGX-UHFFFAOYSA-N -1 1 308.355 2.277 20 10 DECDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc(Cl)n1 ZINC000784827094 643175013 /nfs/dbraw/zinc/17/50/13/643175013.db2.gz YONVILAKXOHUOU-UHFFFAOYSA-N -1 1 321.716 2.494 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000842935095 650854720 /nfs/dbraw/zinc/85/47/20/650854720.db2.gz IKPUJUNPADNMSM-ONGXEEELSA-N -1 1 309.337 2.419 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000842935095 650854723 /nfs/dbraw/zinc/85/47/23/650854723.db2.gz IKPUJUNPADNMSM-ONGXEEELSA-N -1 1 309.337 2.419 20 10 DECDMM O=C(NCCc1c(F)cccc1F)c1c([O-])c(O)ccc1F ZINC000789959935 643795257 /nfs/dbraw/zinc/79/52/57/643795257.db2.gz NAFYARFISKFGOG-UHFFFAOYSA-N -1 1 311.259 2.488 20 10 DECDMM CC[C@H](O)[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000907757298 644634379 /nfs/dbraw/zinc/63/43/79/644634379.db2.gz DAZXJDWEKNISGB-KWQFWETISA-N -1 1 316.195 2.178 20 10 DECDMM O=C(COC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc([O-])c(O)c1 ZINC000796062546 644680378 /nfs/dbraw/zinc/68/03/78/644680378.db2.gz DTPRWYFQZWHBLU-ZDUSSCGKSA-N -1 1 316.284 2.303 20 10 DECDMM O=C(COC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc([O-])c(O)c1 ZINC000796062541 644680515 /nfs/dbraw/zinc/68/05/15/644680515.db2.gz DTPRWYFQZWHBLU-CYBMUJFWSA-N -1 1 316.284 2.303 20 10 DECDMM Cc1nn(C(C)C)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000798370575 645005997 /nfs/dbraw/zinc/00/59/97/645005997.db2.gz RCHQYSIOKSCEBX-DHDCSXOGSA-N -1 1 310.357 2.234 20 10 DECDMM 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C[C@H](CO)CCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893874859 636052591 /nfs/dbraw/zinc/05/25/91/636052591.db2.gz IMNKDXSSCUANRJ-JTQLQIEISA-N -1 1 300.786 2.253 20 10 DECDMM Cc1nccnc1CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895054428 637429325 /nfs/dbraw/zinc/42/93/25/637429325.db2.gz GQZVFDARQPFYAW-UHFFFAOYSA-N -1 1 320.780 2.186 20 10 DECDMM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895644475 638130873 /nfs/dbraw/zinc/13/08/73/638130873.db2.gz AVNOHQLUZDGMFX-UFBFGSQYSA-N -1 1 318.598 2.375 20 10 DECDMM CO[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000895967920 638288694 /nfs/dbraw/zinc/28/86/94/638288694.db2.gz FPJPWNSWKIIKFY-GFCCVEGCSA-N -1 1 316.195 2.268 20 10 DECDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cccc(C)c2)n1 ZINC000747653799 638459304 /nfs/dbraw/zinc/45/93/04/638459304.db2.gz GRMQYQDWVXTXOX-UHFFFAOYSA-N -1 1 303.391 2.416 20 10 DECDMM Cc1ocnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765766011 640815869 /nfs/dbraw/zinc/81/58/69/640815869.db2.gz ULOJQRJDAUZAKY-UHFFFAOYSA-N -1 1 311.135 2.381 20 10 DECDMM 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O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001335466854 961933982 /nfs/dbraw/zinc/93/39/82/961933982.db2.gz TWOPKKPQDCOLTK-BDAKNGLRSA-N -1 1 314.179 2.498 20 10 DECDMM O=C([O-])[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000701094491 976996231 /nfs/dbraw/zinc/99/62/31/976996231.db2.gz OMPIQPXHSBSTHH-JTQLQIEISA-N -1 1 314.179 2.451 20 10 DECDMM O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000701094491 976996245 /nfs/dbraw/zinc/99/62/45/976996245.db2.gz OMPIQPXHSBSTHH-JTQLQIEISA-N -1 1 314.179 2.451 20 10 DECDMM CC[C@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001605025318 1070577847 /nfs/dbraw/zinc/57/78/47/1070577847.db2.gz UOXQAVYZHOASIR-GFCCVEGCSA-N -1 1 301.770 2.357 20 10 DECDMM CC[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001605025318 1070577861 /nfs/dbraw/zinc/57/78/61/1070577861.db2.gz UOXQAVYZHOASIR-GFCCVEGCSA-N -1 1 301.770 2.357 20 10 DECDMM COc1ncncc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001465837941 1059369768 /nfs/dbraw/zinc/36/97/68/1059369768.db2.gz CKZSBYQBRPWDID-UHFFFAOYSA-N -1 1 308.725 2.166 20 10 DECDMM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1c(F)ccc(O)c1[O-] ZINC001472616767 1060554717 /nfs/dbraw/zinc/55/47/17/1060554717.db2.gz BODSOBCZLIVEIF-IINYFYTJSA-N -1 1 321.279 2.439 20 10 DECDMM O=S(=O)([N-]Cc1c(O)cccc1F)c1cccc(F)c1F ZINC001475706404 1061031899 /nfs/dbraw/zinc/03/18/99/1061031899.db2.gz ASXNXHYZQAMYFE-UHFFFAOYSA-N -1 1 317.288 2.288 20 10 DECDMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)cc1 ZINC001638830201 1078581828 /nfs/dbraw/zinc/58/18/28/1078581828.db2.gz QEVHMJSITOKVTF-MEBBXXQBSA-N -1 1 319.332 2.397 20 10 DECDMM Cc1ccn2ncc(C(=O)NCc3cccc(Cl)c3[O-])c2n1 ZINC001648606569 1075003024 /nfs/dbraw/zinc/00/30/24/1075003024.db2.gz STVQTHMJOQIGHW-UHFFFAOYSA-N -1 1 316.748 2.327 20 10 DECDMM CN(Cc1csc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC001591151410 1076714830 /nfs/dbraw/zinc/71/48/30/1076714830.db2.gz MJEHANAETUOIPN-UHFFFAOYSA-N -1 1 315.358 2.293 20 10 DECDMM NC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001658631454 1080213077 /nfs/dbraw/zinc/21/30/77/1080213077.db2.gz JVIMSMYPQQXZMK-UHFFFAOYSA-N -1 1 318.323 2.328 20 10 DECDMM NC(=O)c1cccc2c1CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001658631454 1080213083 /nfs/dbraw/zinc/21/30/83/1080213083.db2.gz JVIMSMYPQQXZMK-UHFFFAOYSA-N -1 1 318.323 2.328 20 10 DECDMM Cc1nc([C@@H]2COCCN2Cc2ccc(Cl)cc2[O-])no1 ZINC001658835093 1080219971 /nfs/dbraw/zinc/21/99/71/1080219971.db2.gz GATFRXGKHWKTGF-LBPRGKRZSA-N -1 1 309.753 2.311 20 10 DECDMM COC(=O)[C@H](CC(F)(F)F)NCc1cc(F)c(F)cc1[O-] ZINC001658902007 1080221715 /nfs/dbraw/zinc/22/17/15/1080221715.db2.gz NXOYOKZFFXLEBJ-VIFPVBQESA-N -1 1 313.222 2.254 20 10 DECDMM Cn1nccc1[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001660153054 1080275075 /nfs/dbraw/zinc/27/50/75/1080275075.db2.gz GNOIIWNRACKBQX-CQSZACIVSA-N -1 1 307.781 2.353 20 10 DECDMM Cn1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1=O ZINC001661979819 1080553197 /nfs/dbraw/zinc/55/31/97/1080553197.db2.gz LLBKWUKGLJBQEB-UHFFFAOYSA-N -1 1 307.737 2.066 20 10 DECDMM CC1(C)C(=O)NCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237080781 1138500098 /nfs/dbraw/zinc/50/00/98/1138500098.db2.gz FLJPOWAFOAKFOP-UHFFFAOYSA-N -1 1 303.189 2.409 20 10 DECDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2ncccn2)CC1 ZINC001237121378 1138508515 /nfs/dbraw/zinc/50/85/15/1138508515.db2.gz LTOFFKZAOMKREH-UHFFFAOYSA-N -1 1 322.771 2.297 20 10 DECDMM COC(=O)[C@]1(F)CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122808 1138508671 /nfs/dbraw/zinc/50/86/71/1138508671.db2.gz YXAOIVLSKDMCGY-ZDUSSCGKSA-N -1 1 305.708 2.272 20 10 DECDMM CC(C)C(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237941212 1138811575 /nfs/dbraw/zinc/81/15/75/1138811575.db2.gz RZWLBOWKRMSBFG-UHFFFAOYSA-N -1 1 314.788 2.485 20 10 DECDMM O=C1CN(Cc2cc(F)c(Cl)cc2[O-])CC2(CCCC2)N1 ZINC001237941228 1138811631 /nfs/dbraw/zinc/81/16/31/1138811631.db2.gz SIAULRQLBHIDGA-UHFFFAOYSA-N -1 1 312.772 2.429 20 10 DECDMM Nc1ccc(CC[N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1 ZINC001238888838 1138883979 /nfs/dbraw/zinc/88/39/79/1138883979.db2.gz IONMPWMVWMHAFN-UHFFFAOYSA-N -1 1 317.625 2.058 20 10 DECDMM Cc1cc(F)c([N-]S(=O)(=O)c2cccc3nonc32)cc1O ZINC001260441797 1144187712 /nfs/dbraw/zinc/18/77/12/1144187712.db2.gz ZAJMQKPZBVQTSC-UHFFFAOYSA-N -1 1 323.305 2.177 20 10 DECDMM CNC(=O)c1c(C)[nH]nc1NCc1c([O-])ccc(Cl)c1F ZINC001308535614 1147478303 /nfs/dbraw/zinc/47/83/03/1147478303.db2.gz JOODIEQGUGTKID-UHFFFAOYSA-N -1 1 312.732 2.188 20 10 DECDMM COc1c([O-])c(CN2CCO[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278247143 402862534 /nfs/dbraw/zinc/86/25/34/402862534.db2.gz OTKOAGVQTVOMQI-YPMHNXCESA-N -1 1 308.334 2.062 20 10 DECDMM CC(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000294133107 403655510 /nfs/dbraw/zinc/65/55/10/403655510.db2.gz HADJVEBJVFQSRZ-UHFFFAOYSA-N -1 1 302.777 2.389 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC1(F)F ZINC000296894667 404362184 /nfs/dbraw/zinc/36/21/84/404362184.db2.gz VPCLHLOXTFJTDV-ZETCQYMHSA-N -1 1 306.106 2.426 20 10 DECDMM CN(C)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000736780243 599419722 /nfs/dbraw/zinc/41/97/22/599419722.db2.gz PBRGQRYQRJDXGT-UHFFFAOYSA-N -1 1 313.340 2.079 20 10 DECDMM CN(C)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000736780243 599419724 /nfs/dbraw/zinc/41/97/24/599419724.db2.gz PBRGQRYQRJDXGT-UHFFFAOYSA-N -1 1 313.340 2.079 20 10 DECDMM C[C@@H](CC[NH2+]Cc1cc(Br)ccc1[O-])NC(=O)[O-] ZINC000833804677 606008836 /nfs/dbraw/zinc/00/88/36/606008836.db2.gz HNMKEBRFFKYKLN-QMMMGPOBSA-N -1 1 317.183 2.291 20 10 DECDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)ccc1[O-] ZINC000185386544 625368235 /nfs/dbraw/zinc/36/82/35/625368235.db2.gz DNLRSVSSSBSGGM-SECBINFHSA-N -1 1 305.305 2.304 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCc2ncncc2C1 ZINC000890761522 623200159 /nfs/dbraw/zinc/20/01/59/623200159.db2.gz UUNKAIBAFNYFNH-SNVBAGLBSA-N -1 1 317.776 2.257 20 10 DECDMM Cc1ncsc1CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000840603278 625723075 /nfs/dbraw/zinc/72/30/75/625723075.db2.gz RDPABUNSIAZACK-UHFFFAOYSA-N -1 1 321.354 2.221 20 10 DECDMM Cc1nnc(CNC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000894098495 636117905 /nfs/dbraw/zinc/11/79/05/636117905.db2.gz UEZLAINVDUWYOT-UHFFFAOYSA-N -1 1 312.782 2.205 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCC=CO1 ZINC000765729545 640812493 /nfs/dbraw/zinc/81/24/93/640812493.db2.gz OGOYSZVXIPKDGY-NSHDSACASA-N -1 1 312.163 2.464 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(=O)[nH]c1 ZINC000765750584 640814891 /nfs/dbraw/zinc/81/48/91/640814891.db2.gz JCEQXZSAEXDBMM-UHFFFAOYSA-N -1 1 323.146 2.185 20 10 DECDMM C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCOC1 ZINC000765770260 640816554 /nfs/dbraw/zinc/81/65/54/640816554.db2.gz NQNCOCOTXFLMJQ-CYBMUJFWSA-N -1 1 314.179 2.198 20 10 DECDMM [O-]c1c(Cl)cccc1CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000898216281 641050197 /nfs/dbraw/zinc/05/01/97/641050197.db2.gz WTVRBNGMQRIYJT-CYBMUJFWSA-N -1 1 322.796 2.106 20 10 DECDMM CC[C@@H](C(=O)NCc1cccc(Br)c1[O-])[C@@H](C)O ZINC000842255138 650681189 /nfs/dbraw/zinc/68/11/89/650681189.db2.gz AUCSBBFHGZKDSE-PSASIEDQSA-N -1 1 316.195 2.178 20 10 DECDMM O=C(NCC1(C2(O)CCC2)CCC1)c1c(F)ccc(O)c1[O-] ZINC000899684152 642141045 /nfs/dbraw/zinc/14/10/45/642141045.db2.gz JSLHZSRITPUGLO-UHFFFAOYSA-N -1 1 309.337 2.052 20 10 DECDMM Cc1cc(C)cc(-n2ncc(C=C3SC(=S)[N-]C3=O)n2)c1 ZINC000781101046 642713553 /nfs/dbraw/zinc/71/35/53/642713553.db2.gz RVLWAHGPBAVRPG-WUXMJOGZSA-N -1 1 316.411 2.373 20 10 DECDMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789988241 643800198 /nfs/dbraw/zinc/80/01/98/643800198.db2.gz DPEWLDZUMIXRCI-YGRLFVJLSA-N -1 1 319.332 2.479 20 10 DECDMM Cc1cnc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000813817365 646810311 /nfs/dbraw/zinc/81/03/11/646810311.db2.gz AFWSXGVOHNCQKC-UHFFFAOYSA-N -1 1 311.135 2.381 20 10 DECDMM O=C(COC(=O)c1cccnc1Cl)c1ccc([O-])c(O)c1 ZINC000916589383 647882592 /nfs/dbraw/zinc/88/25/92/647882592.db2.gz CVOSNFJBNKKNOP-UHFFFAOYSA-N -1 1 307.689 2.186 20 10 DECDMM CN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000390226818 685438872 /nfs/dbraw/zinc/43/88/72/685438872.db2.gz QXRGILCRTYVEHH-ALCCZGGFSA-N -1 1 319.361 2.223 20 10 DECDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(F)(F)F ZINC000860321054 685912640 /nfs/dbraw/zinc/91/26/40/685912640.db2.gz RIDDSJCLFFZPBS-ZETCQYMHSA-N -1 1 306.236 2.412 20 10 DECDMM CC1(C)CN(Cc2ccc(F)c(F)c2[O-])C[C@]2(CCOC2)O1 ZINC000877492917 690130280 /nfs/dbraw/zinc/13/02/80/690130280.db2.gz XHASXGAQLIODGO-INIZCTEOSA-N -1 1 313.344 2.440 20 10 DECDMM O=C(C[C@H]1CCC2(CCC2)O1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000885642002 691924851 /nfs/dbraw/zinc/92/48/51/691924851.db2.gz RDVVFLRILSSVOC-GFCCVEGCSA-N -1 1 320.341 2.316 20 10 DECDMM CN1C(=O)CCc2cc(C=C3SC(=S)[N-]C3=O)ccc21 ZINC000588507194 777310247 /nfs/dbraw/zinc/31/02/47/777310247.db2.gz WZTLSVFPTJZNHK-XFFZJAGNSA-N -1 1 304.396 2.084 20 10 DECDMM Nc1cccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001212010872 780588394 /nfs/dbraw/zinc/58/83/94/780588394.db2.gz DQISMTIRXGMAKG-UHFFFAOYSA-N -1 1 300.286 2.053 20 10 DECDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1C ZINC001170314798 786904797 /nfs/dbraw/zinc/90/47/97/786904797.db2.gz INSRORJWRVVAOZ-UHFFFAOYSA-N -1 1 315.325 2.488 20 10 DECDMM CC(=O)Nc1ncc(NCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC001170321718 786907745 /nfs/dbraw/zinc/90/77/45/786907745.db2.gz DNTTXUQCSNUCKL-UHFFFAOYSA-N -1 1 315.329 2.054 20 10 DECDMM C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1O ZINC001171730571 793185692 /nfs/dbraw/zinc/18/56/92/793185692.db2.gz OXXAIBFZJJWTKJ-VIFPVBQESA-N -1 1 314.370 2.215 20 10 DECDMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC001174740362 794058187 /nfs/dbraw/zinc/05/81/87/794058187.db2.gz DSIRJACIAXGLQD-UHFFFAOYSA-N -1 1 300.286 2.053 20 10 DECDMM O=C1NCCN(Cc2cc(F)c(F)cc2[O-])[C@H]1c1ccccc1 ZINC001179992887 795216482 /nfs/dbraw/zinc/21/64/82/795216482.db2.gz CDLKPZOGJUUFAF-INIZCTEOSA-N -1 1 318.323 2.344 20 10 DECDMM O=C([O-])C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC001118979225 795244345 /nfs/dbraw/zinc/24/43/45/795244345.db2.gz JNULPUMJFPAETQ-LLVKDONJSA-N -1 1 314.179 2.498 20 10 DECDMM CC(C)OCc1nnc2n1CCN(Cc1cccc(F)c1[O-])C2 ZINC001138125022 796167284 /nfs/dbraw/zinc/16/72/84/796167284.db2.gz HJCHEFJLPZKXNS-UHFFFAOYSA-N -1 1 320.368 2.064 20 10 DECDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1 ZINC001185996595 796344023 /nfs/dbraw/zinc/34/40/23/796344023.db2.gz KGVRBZSRFRQNCV-UHFFFAOYSA-N -1 1 316.386 2.430 20 10 DECDMM CN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001140581691 796541051 /nfs/dbraw/zinc/54/10/51/796541051.db2.gz XPVUMLIFAKGNKK-MRXNPFEDSA-N -1 1 310.344 2.257 20 10 DECDMM O=C(CNC(=O)c1nccc2ccccc21)c1ccc([O-])c(O)c1 ZINC001149158355 796827888 /nfs/dbraw/zinc/82/78/88/796827888.db2.gz VFZSUPKHILLKLU-UHFFFAOYSA-N -1 1 322.320 2.259 20 10 DECDMM NC(=O)Cc1cccc(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193229326 797535015 /nfs/dbraw/zinc/53/50/15/797535015.db2.gz IBQFTBRUCKLAEW-UHFFFAOYSA-N -1 1 320.732 2.031 20 10 DECDMM O=C(N[C@@H]1CC=CCC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235955 797715004 /nfs/dbraw/zinc/71/50/04/797715004.db2.gz WAZRANFFYNFJJU-SNVBAGLBSA-N -1 1 301.298 2.043 20 10 DECDMM Cc1cc(Cl)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001194901415 797794027 /nfs/dbraw/zinc/79/40/27/797794027.db2.gz DTXYLHXOQPMQAO-UHFFFAOYSA-N -1 1 320.732 2.067 20 10 DECDMM CCc1cc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159280307 798544893 /nfs/dbraw/zinc/54/48/93/798544893.db2.gz KHIYJGJSUIYFTO-UHFFFAOYSA-N -1 1 307.737 2.398 20 10 DECDMM O=C(CO)Nc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001201186146 798719593 /nfs/dbraw/zinc/71/95/93/798719593.db2.gz OLOZNZCEPUMDLF-UHFFFAOYSA-N -1 1 308.284 2.213 20 10 DECDMM Cc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1N ZINC001215571355 801877445 /nfs/dbraw/zinc/87/74/45/801877445.db2.gz ADLNNCGVCHZXOH-UHFFFAOYSA-N -1 1 314.313 2.362 20 10 DECDMM COCc1noc2c1CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333513 802079149 /nfs/dbraw/zinc/07/91/49/802079149.db2.gz YEVVFPPTSJTSAX-UHFFFAOYSA-N -1 1 310.300 2.363 20 10 DECDMM CC(C)(C)C(=O)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336058 802080823 /nfs/dbraw/zinc/08/08/23/802080823.db2.gz XAETVXDQBMJFAW-UHFFFAOYSA-N -1 1 312.360 2.361 20 10 DECDMM CC1(C)C(=O)NCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417934 802112055 /nfs/dbraw/zinc/11/20/55/802112055.db2.gz NGQYICRSRANZBX-UHFFFAOYSA-N -1 1 302.296 2.121 20 10 DECDMM CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001233418969 802113227 /nfs/dbraw/zinc/11/32/27/802113227.db2.gz DLPJPDIISBGUGL-JTQLQIEISA-N -1 1 316.323 2.464 20 10 DECDMM COc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])nc1 ZINC001227459326 803242737 /nfs/dbraw/zinc/24/27/37/803242737.db2.gz LTLNUQNSSFBLAW-UHFFFAOYSA-N -1 1 321.764 2.449 20 10 DECDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@H]1CCO1 ZINC001227580158 803255710 /nfs/dbraw/zinc/25/57/10/803255710.db2.gz HZRNCLWIQJVSPC-SNVBAGLBSA-N -1 1 310.305 2.335 20 10 DECDMM C[C@H](C[N@H+](C)Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000706670994 977358277 /nfs/dbraw/zinc/35/82/77/977358277.db2.gz KMJDCRDALIZEDZ-MRVPVSSYSA-N -1 1 302.168 2.307 20 10 DECDMM C[C@H](C[N@@H+](C)Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000706670994 977358281 /nfs/dbraw/zinc/35/82/81/977358281.db2.gz KMJDCRDALIZEDZ-MRVPVSSYSA-N -1 1 302.168 2.307 20 10 DECDMM Cc1cnc(CCNC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001334306037 1150265141 /nfs/dbraw/zinc/26/51/41/1150265141.db2.gz WRWPCVDUFRJILN-UHFFFAOYSA-N -1 1 320.780 2.186 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2n[nH]nc2c1 ZINC001457035452 1057938527 /nfs/dbraw/zinc/93/85/27/1057938527.db2.gz BOKLGBSAPJNXFF-UHFFFAOYSA-N -1 1 302.721 2.247 20 10 DECDMM Cc1noc([C@H](C)NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001468500209 1059797526 /nfs/dbraw/zinc/79/75/26/1059797526.db2.gz GQHMKQGWYPJLCH-ZETCQYMHSA-N -1 1 310.741 2.297 20 10 DECDMM Cn1c2ccncc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC001615027222 1078125861 /nfs/dbraw/zinc/12/58/61/1078125861.db2.gz JHLRRLXIQDTCSU-UHFFFAOYSA-N -1 1 315.354 2.355 20 10 DECDMM O=C(CSc1nncs1)NCc1cccc(Cl)c1[O-] ZINC001637227308 1078509010 /nfs/dbraw/zinc/50/90/10/1078509010.db2.gz WHIAMZRVTWFMNY-UHFFFAOYSA-N -1 1 315.807 2.306 20 10 DECDMM CCCN(Cc1ccccc1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590632026 1076663039 /nfs/dbraw/zinc/66/30/39/1076663039.db2.gz DMHHPUMKWACVFP-UHFFFAOYSA-N -1 1 310.361 2.384 20 10 DECDMM CCCN(Cc1ccccc1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590632026 1076663040 /nfs/dbraw/zinc/66/30/40/1076663040.db2.gz DMHHPUMKWACVFP-UHFFFAOYSA-N -1 1 310.361 2.384 20 10 DECDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1=CCCOC1 ZINC001602053301 1077500584 /nfs/dbraw/zinc/50/05/84/1077500584.db2.gz UFPJOJJMZYYTKJ-UHFFFAOYSA-N -1 1 311.765 2.279 20 10 DECDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])CC1=CCCOC1 ZINC001602053301 1077500586 /nfs/dbraw/zinc/50/05/86/1077500586.db2.gz UFPJOJJMZYYTKJ-UHFFFAOYSA-N -1 1 311.765 2.279 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn2ncccc12 ZINC001653567389 1079933671 /nfs/dbraw/zinc/93/36/71/1079933671.db2.gz XHUNXBMGABPORN-UHFFFAOYSA-N -1 1 302.721 2.018 20 10 DECDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN2CCOC[C@@H]2C1 ZINC001237078852 1080442194 /nfs/dbraw/zinc/44/21/94/1080442194.db2.gz YRAIEDQPMYFRNN-JTQLQIEISA-N -1 1 317.216 2.215 20 10 DECDMM CS(=O)(=O)N(c1ccc(N)cc1)c1c(F)cc([O-])cc1F ZINC001175098113 1091843480 /nfs/dbraw/zinc/84/34/80/1091843480.db2.gz YNLCYRKWMUNDPD-UHFFFAOYSA-N -1 1 314.313 2.350 20 10 DECDMM C[C@H]1C(=O)N(C)CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084233 1138501201 /nfs/dbraw/zinc/50/12/01/1138501201.db2.gz INITZKQDEKSHRQ-QMMMGPOBSA-N -1 1 303.189 2.362 20 10 DECDMM COC(=O)[C@]1(F)CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935042 1138811204 /nfs/dbraw/zinc/81/12/04/1138811204.db2.gz PDTXXZKSRSHMGR-ZDUSSCGKSA-N -1 1 305.708 2.272 20 10 DECDMM COc1ccc(CN2CCC2)c([O-])c1I ZINC001248476332 1141800556 /nfs/dbraw/zinc/80/05/56/1141800556.db2.gz DIJBEAZNVDVVNN-UHFFFAOYSA-N -1 1 319.142 2.211 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1ccnc2[nH]cnc21 ZINC001305085399 1147365195 /nfs/dbraw/zinc/36/51/95/1147365195.db2.gz XSKLCNMAVHFOHY-UHFFFAOYSA-N -1 1 302.721 2.247 20 10 DECDMM COC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000079501372 355313960 /nfs/dbraw/zinc/31/39/60/355313960.db2.gz UIRLQNZCAAVPKT-UHFFFAOYSA-N -1 1 311.765 2.386 20 10 DECDMM [O-]c1c(F)cccc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000272301613 402921048 /nfs/dbraw/zinc/92/10/48/402921048.db2.gz PSIBLHWFESAFOD-UHFFFAOYSA-N -1 1 316.258 2.157 20 10 DECDMM Cc1cccnc1CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000296403943 404233392 /nfs/dbraw/zinc/23/33/92/404233392.db2.gz JVGSARJGBMIIMP-UHFFFAOYSA-N -1 1 304.321 2.303 20 10 DECDMM C[C@@H](C(=O)[O-])C1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC001348502979 1151164524 /nfs/dbraw/zinc/16/45/24/1151164524.db2.gz OJBPWNUOZAGEKW-QMMMGPOBSA-N -1 1 314.179 2.498 20 10 DECDMM C[C@H](CCC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC001330273270 1149083750 /nfs/dbraw/zinc/08/37/50/1149083750.db2.gz AUGWKRPJJSDAKJ-MRVPVSSYSA-N -1 1 302.168 2.498 20 10 DECDMM COc1ccc(O)c([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826210535 607898846 /nfs/dbraw/zinc/89/88/46/607898846.db2.gz VPUCUSZNTRCPGR-VIFPVBQESA-N -1 1 312.333 2.149 20 10 DECDMM COc1ccc(O)c([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826210535 607898847 /nfs/dbraw/zinc/89/88/47/607898847.db2.gz VPUCUSZNTRCPGR-VIFPVBQESA-N -1 1 312.333 2.149 20 10 DECDMM CC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000228356504 625269533 /nfs/dbraw/zinc/26/95/33/625269533.db2.gz KGRDPPSMOIDEBO-LLVKDONJSA-N -1 1 303.189 2.409 20 10 DECDMM Cc1c(CNC(=O)NCc2cccc(Cl)c2[O-])cnn1C ZINC000893865307 636049782 /nfs/dbraw/zinc/04/97/82/636049782.db2.gz AKGCQPYTOGGFTE-UHFFFAOYSA-N -1 1 308.769 2.087 20 10 DECDMM O=C(CC1CC(F)(F)C1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000838267697 637510367 /nfs/dbraw/zinc/51/03/67/637510367.db2.gz RDWNPIZLLYNAME-UHFFFAOYSA-N -1 1 300.257 2.259 20 10 DECDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2csnn2)c1 ZINC000840885252 650371321 /nfs/dbraw/zinc/37/13/21/650371321.db2.gz AIDOKDUKETVEHO-RKDXNWHRSA-N -1 1 307.375 2.442 20 10 DECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000900829434 642483810 /nfs/dbraw/zinc/48/38/10/642483810.db2.gz PQUFIRISGVXNAU-VIFPVBQESA-N -1 1 322.361 2.398 20 10 DECDMM CO[C@H](CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F)C1CC1 ZINC000842585795 650771847 /nfs/dbraw/zinc/77/18/47/650771847.db2.gz HOJGHZVBBONYNX-GFCCVEGCSA-N -1 1 323.773 2.351 20 10 DECDMM O=C(COC(=O)c1ccc(Cl)cn1)c1ccc([O-])c(O)c1 ZINC000783725647 643042552 /nfs/dbraw/zinc/04/25/52/643042552.db2.gz KEJKAKNJCWCLHU-UHFFFAOYSA-N -1 1 307.689 2.186 20 10 DECDMM Cc1cncc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784282671 643118531 /nfs/dbraw/zinc/11/85/31/643118531.db2.gz JOJAHZIXHITWJB-DJWKRKHSSA-N -1 1 313.309 2.241 20 10 DECDMM O=C(COC(=O)[C@H](F)Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000784582109 643154021 /nfs/dbraw/zinc/15/40/21/643154021.db2.gz IEIIJKACGLLVCY-CYBMUJFWSA-N -1 1 318.300 2.405 20 10 DECDMM CCC[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCO1 ZINC000784608847 643158332 /nfs/dbraw/zinc/15/83/32/643158332.db2.gz JMULYZPDAFFCMA-STQMWFEESA-N -1 1 322.357 2.419 20 10 DECDMM COc1cc(C)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784843491 643176153 /nfs/dbraw/zinc/17/61/53/643176153.db2.gz GNPCFGRCGXZHJR-UHFFFAOYSA-N -1 1 316.309 2.455 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N(CC3CC3)C2)c1[O-] ZINC000789381251 643724887 /nfs/dbraw/zinc/72/48/87/643724887.db2.gz FMBSXLWCDVEBAO-UHFFFAOYSA-N -1 1 322.792 2.260 20 10 DECDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N(C)c1ccccc1 ZINC000789957696 643795001 /nfs/dbraw/zinc/79/50/01/643795001.db2.gz VFEIGFCTIQGQAR-LLVKDONJSA-N -1 1 318.348 2.492 20 10 DECDMM Cc1nc(C)c(CCNC(=O)c2c(F)ccc(O)c2[O-])s1 ZINC000789973916 643797959 /nfs/dbraw/zinc/79/79/59/643797959.db2.gz VVYXRSXRQGNPOA-UHFFFAOYSA-N -1 1 310.350 2.283 20 10 DECDMM [O-]c1c(F)cc(F)cc1CNc1ncn(CC(F)(F)F)n1 ZINC000905413475 643899855 /nfs/dbraw/zinc/89/98/55/643899855.db2.gz QVUOYQICKHRLEP-UHFFFAOYSA-N -1 1 308.210 2.436 20 10 DECDMM Cc1ccnc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000792484655 644116800 /nfs/dbraw/zinc/11/68/00/644116800.db2.gz QXGFQAUGMYZCBS-UHFFFAOYSA-N -1 1 322.162 2.183 20 10 DECDMM Cc1nsc(C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000795946466 644663183 /nfs/dbraw/zinc/66/31/83/644663183.db2.gz IQLDZEZFXHHFSY-UHFFFAOYSA-N -1 1 307.327 2.211 20 10 DECDMM O=C(COC(=O)c1cc(C2CC2)no1)c1ccc([O-])c(O)c1 ZINC000799579116 645191668 /nfs/dbraw/zinc/19/16/68/645191668.db2.gz HKOFFEQKFPPUOA-UHFFFAOYSA-N -1 1 303.270 2.003 20 10 DECDMM Cc1nn(-c2ccccn2)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000801647223 645427117 /nfs/dbraw/zinc/42/71/17/645427117.db2.gz GGEIKLGXOSZJAO-YRNVUSSQSA-N -1 1 316.411 2.373 20 10 DECDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)c1nn[nH]n1 ZINC000912618452 646113420 /nfs/dbraw/zinc/11/34/20/646113420.db2.gz UUNOIWHPLLQAQP-UHFFFAOYSA-N -1 1 310.361 2.192 20 10 DECDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)c1nn[n-]n1 ZINC000912618452 646113424 /nfs/dbraw/zinc/11/34/24/646113424.db2.gz UUNOIWHPLLQAQP-UHFFFAOYSA-N -1 1 310.361 2.192 20 10 DECDMM CO[C@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815383383 647008559 /nfs/dbraw/zinc/00/85/59/647008559.db2.gz RCVFHPKIAWUSIK-NHYWBVRUSA-N -1 1 308.330 2.029 20 10 DECDMM CN(C)c1nc(NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000818215002 647434254 /nfs/dbraw/zinc/43/42/54/647434254.db2.gz ULCPBEXXROFWEG-UHFFFAOYSA-N -1 1 302.165 2.495 20 10 DECDMM Cc1ccccc1OCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590065 647882437 /nfs/dbraw/zinc/88/24/37/647882437.db2.gz DNZKICCQECZZEW-UHFFFAOYSA-N -1 1 316.309 2.211 20 10 DECDMM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCn3ccnc32)c1[O-] ZINC000824521970 648601641 /nfs/dbraw/zinc/60/16/41/648601641.db2.gz PPULKGSEXSFFPJ-SNVBAGLBSA-N -1 1 308.725 2.385 20 10 DECDMM CC(C)OC(=O)CC[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000830918800 649514801 /nfs/dbraw/zinc/51/48/01/649514801.db2.gz LXOYVBHINDACFR-SECBINFHSA-N -1 1 313.325 2.087 20 10 DECDMM O=C([O-])C[N@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000844934309 651184963 /nfs/dbraw/zinc/18/49/63/651184963.db2.gz ARCLYGIXTCSFIC-UHFFFAOYSA-N -1 1 314.179 2.451 20 10 DECDMM CCOC(=O)c1[nH]c(C)c(C=C2SC(=S)[N-]C2=O)c1C ZINC000863177184 686440988 /nfs/dbraw/zinc/44/09/88/686440988.db2.gz KRYWURGJBLEGFM-UITAMQMPSA-N -1 1 310.400 2.297 20 10 DECDMM CCOC1CC2(C[C@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000869933224 688440681 /nfs/dbraw/zinc/44/06/81/688440681.db2.gz VMKAKCBGZUZLGY-JKGQDXBKSA-N -1 1 320.341 2.029 20 10 DECDMM CC(C)OC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000873443695 689244677 /nfs/dbraw/zinc/24/46/77/689244677.db2.gz FWZUHRFQWLLYOR-UHFFFAOYSA-N -1 1 308.330 2.171 20 10 DECDMM CC(C)[C@@H]1C[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC001347914381 1151105910 /nfs/dbraw/zinc/10/59/10/1151105910.db2.gz JSPCSKPOMLOXQD-GWCFXTLKSA-N -1 1 311.353 2.418 20 10 DECDMM CSc1ncc(C)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316746 786906203 /nfs/dbraw/zinc/90/62/03/786906203.db2.gz MKHLASGTGQSGAY-UHFFFAOYSA-N -1 1 305.359 2.213 20 10 DECDMM Cc1nc2c(ncc(NCC(=O)c3ccc([O-])c(O)c3)c2C)[nH]1 ZINC001170320770 786907982 /nfs/dbraw/zinc/90/79/82/786907982.db2.gz MYYFUDJXKGUPDP-UHFFFAOYSA-N -1 1 312.329 2.281 20 10 DECDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])n1ccnc1 ZINC001116778452 794986141 /nfs/dbraw/zinc/98/61/41/794986141.db2.gz JFQSKFNZYCPZOR-VIFPVBQESA-N -1 1 324.178 2.229 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc2nccnc2c1 ZINC001180409856 795300656 /nfs/dbraw/zinc/30/06/56/795300656.db2.gz HAXYZNPVJUYSQL-UHFFFAOYSA-N -1 1 314.732 2.314 20 10 DECDMM O=C(NCc1noc2cc(F)ccc12)c1c(F)ccc(O)c1[O-] ZINC001184179058 796001081 /nfs/dbraw/zinc/00/10/81/796001081.db2.gz RSFGXPCPDKGDDR-UHFFFAOYSA-N -1 1 320.251 2.447 20 10 DECDMM O=C(c1ccco1)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137831685 796144274 /nfs/dbraw/zinc/14/42/74/796144274.db2.gz KAJCLOVYWMNQPT-UHFFFAOYSA-N -1 1 304.321 2.082 20 10 DECDMM O=C(CNC(=O)c1ccc(O)c([O-])c1Cl)Cc1ccccc1 ZINC001193236386 797528105 /nfs/dbraw/zinc/52/81/05/797528105.db2.gz AIJRSFHAMOJIAK-UHFFFAOYSA-N -1 1 319.744 2.293 20 10 DECDMM Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193229116 797534680 /nfs/dbraw/zinc/53/46/80/797534680.db2.gz FJSIXVNRSRNMMX-UHFFFAOYSA-N -1 1 320.732 2.411 20 10 DECDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(O)cc1 ZINC001195803018 797965574 /nfs/dbraw/zinc/96/55/74/797965574.db2.gz SEHZIKKJKYWCDH-UHFFFAOYSA-N -1 1 301.270 2.177 20 10 DECDMM O=S(=O)(Cc1cccnc1)Nc1cc(F)c([O-])c(F)c1 ZINC001197456957 798197003 /nfs/dbraw/zinc/19/70/03/798197003.db2.gz BOKHWSOJDYYOBH-UHFFFAOYSA-N -1 1 300.286 2.007 20 10 DECDMM O=C(CNc1c(F)nc(F)nc1Cl)c1ccc([O-])c(O)c1 ZINC001159279816 798545231 /nfs/dbraw/zinc/54/52/31/798545231.db2.gz ZYTOBPHKACVSBA-UHFFFAOYSA-N -1 1 315.663 2.114 20 10 DECDMM C[C@](O)(CCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC001161211036 798810579 /nfs/dbraw/zinc/81/05/79/798810579.db2.gz LXWWTMNOPPSOED-KRWDZBQOSA-N -1 1 319.332 2.265 20 10 DECDMM C[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])CCS1(=O)=O ZINC001205399861 800352521 /nfs/dbraw/zinc/35/25/21/800352521.db2.gz SMGUSUCDZJDSLC-SNVBAGLBSA-N -1 1 303.811 2.055 20 10 DECDMM Cc1nc2c(s1)CN(Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231452243 801668298 /nfs/dbraw/zinc/66/82/98/801668298.db2.gz IGIIAONMSDTRHE-UHFFFAOYSA-N -1 1 304.371 2.414 20 10 DECDMM [O-]c1c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)ccc(F)c1F ZINC001233073632 802021647 /nfs/dbraw/zinc/02/16/47/802021647.db2.gz AUARZNLZJQKXRK-BDAKNGLRSA-N -1 1 311.250 2.273 20 10 DECDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H](C(=O)OC)C1 ZINC001233498883 802135398 /nfs/dbraw/zinc/13/53/98/802135398.db2.gz WRJRTKWHPRMQGU-MGCOHNPYSA-N -1 1 308.330 2.411 20 10 DECDMM C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CC[C@@H]1C(=O)[O-] ZINC001589399069 954396133 /nfs/dbraw/zinc/39/61/33/954396133.db2.gz MJDHOGJEGUQWGI-AAEUAGOBSA-N -1 1 300.358 2.483 20 10 DECDMM C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CC[C@@H]1C(=O)[O-] ZINC001589399069 954396146 /nfs/dbraw/zinc/39/61/46/954396146.db2.gz MJDHOGJEGUQWGI-AAEUAGOBSA-N -1 1 300.358 2.483 20 10 DECDMM O=C([O-])[C@H](Cc1ccncc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001605904120 972749511 /nfs/dbraw/zinc/74/95/11/972749511.db2.gz RHQWTCLOGDIQPQ-ZDUSSCGKSA-N -1 1 306.749 2.226 20 10 DECDMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000706626091 977357356 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/nfs/dbraw/zinc/52/21/37/797522137.db2.gz XPXMNTUJHVSEAM-UHFFFAOYSA-N -1 1 304.693 2.275 20 10 DECDMM CSc1cc(C)nc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159276807 798544956 /nfs/dbraw/zinc/54/49/56/798544956.db2.gz MMFHAYOGVCSOQR-UHFFFAOYSA-N -1 1 305.359 2.213 20 10 DECDMM COc1ccnc(Cl)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280512 798545246 /nfs/dbraw/zinc/54/52/46/798545246.db2.gz VKBLBTUSKBAAIV-UHFFFAOYSA-N -1 1 308.721 2.450 20 10 DECDMM Cc1cccc([C@@H](O)CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001160980810 798774351 /nfs/dbraw/zinc/77/43/51/798774351.db2.gz PHHSUBJGKOKROK-ZDUSSCGKSA-N -1 1 305.305 2.009 20 10 DECDMM Cc1cccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001202321699 798866127 /nfs/dbraw/zinc/86/61/27/798866127.db2.gz PCSFRENBHLOHND-UHFFFAOYSA-N -1 1 300.314 2.411 20 10 DECDMM O=C([O-])c1ccc(O)c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001231559335 801686303 /nfs/dbraw/zinc/68/63/03/801686303.db2.gz AUOOCQFFSCUBLV-ZIAGYGMSSA-N -1 1 303.358 2.424 20 10 DECDMM [O-]c1c(CN2CCC3(C2)OCCO3)cccc1C(F)(F)F ZINC001233418105 802112431 /nfs/dbraw/zinc/11/24/31/802112431.db2.gz UHYFDBPRVCDZAT-UHFFFAOYSA-N -1 1 303.280 2.360 20 10 DECDMM COC(=O)[C@H]1CC[C@@H](Oc2cc([O-])c(O)cc2C(C)=O)CC1 ZINC001234477103 802388487 /nfs/dbraw/zinc/38/84/87/802388487.db2.gz RGVFROVGNRPQGY-PHIMTYICSA-N -1 1 308.330 2.411 20 10 DECDMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715759492 977781508 /nfs/dbraw/zinc/78/15/08/977781508.db2.gz ANXYBJGKIHNGIN-ZCFIWIBFSA-N -1 1 306.131 2.199 20 10 DECDMM CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CCF)C(=O)[O-])c1[O-] ZINC001589270528 985962885 /nfs/dbraw/zinc/96/28/85/985962885.db2.gz BNFDGDZWVQVTST-CQSZACIVSA-N -1 1 301.289 2.026 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccnnc1 ZINC001466786969 1059534542 /nfs/dbraw/zinc/53/45/42/1059534542.db2.gz KJUXEQRXJCEYQZ-UHFFFAOYSA-N -1 1 323.150 2.266 20 10 DECDMM CN(C[C@@](C)(O)c1ccccc1)C(=O)c1c([O-])c(O)ccc1F ZINC001641652900 1078722502 /nfs/dbraw/zinc/72/25/02/1078722502.db2.gz SICGOAMVUXRGNL-QGZVFWFLSA-N -1 1 319.332 2.217 20 10 DECDMM Cc1cc(C(=O)N(C)c2nn[n-]n2)c(C)n1-c1ccc(F)cc1 ZINC001642427583 1078754559 /nfs/dbraw/zinc/75/45/59/1078754559.db2.gz QEQRAVRWIVQVLI-UHFFFAOYSA-N -1 1 314.324 2.023 20 10 DECDMM O=C(NCCn1cnc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC001558923058 1075109002 /nfs/dbraw/zinc/10/90/02/1075109002.db2.gz HCFWEIRZWRJTLK-UHFFFAOYSA-N -1 1 315.304 2.017 20 10 DECDMM Cc1cc(NCc2ccc(N(C)C)cc2)nc(-c2nnn[n-]2)c1 ZINC001592052283 1076838790 /nfs/dbraw/zinc/83/87/90/1076838790.db2.gz IDWWDBXUHOXGQL-UHFFFAOYSA-N -1 1 309.377 2.248 20 10 DECDMM Cc1cc(NCc2ccc(N(C)C)cc2)nc(-c2nn[n-]n2)c1 ZINC001592052283 1076838794 /nfs/dbraw/zinc/83/87/94/1076838794.db2.gz IDWWDBXUHOXGQL-UHFFFAOYSA-N -1 1 309.377 2.248 20 10 DECDMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001601706733 1077438092 /nfs/dbraw/zinc/43/80/92/1077438092.db2.gz CPELEAODZOHCRI-GFCCVEGCSA-N -1 1 307.243 2.370 20 10 DECDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1c([O-])c(O)ccc1F ZINC001650920385 1079781458 /nfs/dbraw/zinc/78/14/58/1079781458.db2.gz DDDLHFCIXIHUNB-UHFFFAOYSA-N -1 1 320.276 2.118 20 10 DECDMM CNC(=O)COc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001655800320 1080018327 /nfs/dbraw/zinc/01/83/27/1080018327.db2.gz HRVLFWHXOYXFJR-UHFFFAOYSA-N -1 1 322.311 2.407 20 10 DECDMM C[C@@H]1C[C@H](O)CN1Cc1cc(F)cc(Br)c1[O-] ZINC001235296258 1084376771 /nfs/dbraw/zinc/37/67/71/1084376771.db2.gz HUFGYWHCVLHVRX-XCBNKYQSSA-N -1 1 304.159 2.249 20 10 DECDMM CC(=O)N[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237812180 1138799874 /nfs/dbraw/zinc/79/98/74/1138799874.db2.gz DRQWBDXZLYJQKT-LBPRGKRZSA-N -1 1 300.761 2.285 20 10 DECDMM [O-]c1cc(Cl)c(F)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001237934583 1138811093 /nfs/dbraw/zinc/81/10/93/1138811093.db2.gz LAFHEATVZDNPIH-RJIBLYRGSA-N -1 1 315.772 2.156 20 10 DECDMM O=S(=O)(Nc1ccnnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251389560 1142425767 /nfs/dbraw/zinc/42/57/67/1142425767.db2.gz AIHPHAXNYJGWEX-UHFFFAOYSA-N -1 1 320.157 2.290 20 10 DECDMM COc1cccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001259189216 1144073700 /nfs/dbraw/zinc/07/37/00/1144073700.db2.gz FZKVBWPUXFLYBM-UHFFFAOYSA-N -1 1 315.297 2.480 20 10 DECDMM C[C@@H](NCc1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274251168 296136374 /nfs/dbraw/zinc/13/63/74/296136374.db2.gz SGIUZJGTTZIXOX-SNVBAGLBSA-N -1 1 317.349 2.079 20 10 DECDMM CCC[C@@](C)(O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277553967 130622022 /nfs/dbraw/zinc/62/20/22/130622022.db2.gz OOKSVUHSPHDRLC-CYBMUJFWSA-N -1 1 316.195 2.322 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2C(N)=O)c1[O-] ZINC000050147485 402025735 /nfs/dbraw/zinc/02/57/35/402025735.db2.gz DOGONNGNJMQEPV-CYBMUJFWSA-N -1 1 310.781 2.088 20 10 DECDMM CCc1nnc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000273539525 403013499 /nfs/dbraw/zinc/01/34/99/403013499.db2.gz YADLURKEKVBIHJ-DTWKUNHWSA-N -1 1 305.338 2.393 20 10 DECDMM CCO[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277513534 403225649 /nfs/dbraw/zinc/22/56/49/403225649.db2.gz LDFMWWPYTKFNGW-MWLCHTKSSA-N -1 1 314.179 2.196 20 10 DECDMM C[C@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@@H]1n1ccnc1 ZINC000295161953 403779837 /nfs/dbraw/zinc/77/98/37/403779837.db2.gz QRPITMRKRDZIED-JQWIXIFHSA-N -1 1 319.336 2.157 20 10 DECDMM Cc1cnn(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738811034 600315064 /nfs/dbraw/zinc/31/50/64/600315064.db2.gz BPZUYHVIPBRIES-UHFFFAOYSA-N -1 1 323.780 2.137 20 10 DECDMM Cc1cnn(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738811034 600315067 /nfs/dbraw/zinc/31/50/67/600315067.db2.gz BPZUYHVIPBRIES-UHFFFAOYSA-N -1 1 323.780 2.137 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1[O-] ZINC000823627382 604223663 /nfs/dbraw/zinc/22/36/63/604223663.db2.gz GBWCGSHRAFTPOL-NSHDSACASA-N -1 1 324.352 2.166 20 10 DECDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1[O-] ZINC000823627382 604223664 /nfs/dbraw/zinc/22/36/64/604223664.db2.gz GBWCGSHRAFTPOL-NSHDSACASA-N -1 1 324.352 2.166 20 10 DECDMM CC(=O)c1cc(F)cc(CN2CC[C@@H](CN(C)C(=O)[O-])C2)c1O ZINC000823627382 604223666 /nfs/dbraw/zinc/22/36/66/604223666.db2.gz GBWCGSHRAFTPOL-NSHDSACASA-N -1 1 324.352 2.166 20 10 DECDMM CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000833505921 605248093 /nfs/dbraw/zinc/24/80/93/605248093.db2.gz OPZIJFFRBLNYBO-LBPRGKRZSA-N -1 1 301.770 2.356 20 10 DECDMM O=C([O-])N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834184305 605990409 /nfs/dbraw/zinc/99/04/09/605990409.db2.gz ULVNNFKJRMVYEO-SNVBAGLBSA-N -1 1 302.733 2.417 20 10 DECDMM CC(C)(C)CC(=O)NCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758265 623196057 /nfs/dbraw/zinc/19/60/57/623196057.db2.gz UEBXTLXSFXPBIE-UHFFFAOYSA-N -1 1 312.797 2.214 20 10 DECDMM COCCn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890762440 623202814 /nfs/dbraw/zinc/20/28/14/623202814.db2.gz CRCOVLBEYFYCOJ-UHFFFAOYSA-N -1 1 323.780 2.127 20 10 DECDMM COCc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000742434440 638073103 /nfs/dbraw/zinc/07/31/03/638073103.db2.gz IXELMJUHCLGJNZ-LFIBNONCSA-N -1 1 308.337 2.294 20 10 DECDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(C)cc2)n1 ZINC000747654637 638459460 /nfs/dbraw/zinc/45/94/60/638459460.db2.gz PIPPTRJHSMSHQS-UHFFFAOYSA-N -1 1 303.391 2.416 20 10 DECDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000765747694 640814627 /nfs/dbraw/zinc/81/46/27/640814627.db2.gz QKQNTDFGKGPLDD-UHFFFAOYSA-N -1 1 324.178 2.127 20 10 DECDMM C[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CO1 ZINC000765764543 640816134 /nfs/dbraw/zinc/81/61/34/640816134.db2.gz LXSVUUNJTKEAML-WPRPVWTQSA-N -1 1 314.179 2.196 20 10 DECDMM CC(C)[C@@](C)(O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765770931 640816711 /nfs/dbraw/zinc/81/67/11/640816711.db2.gz SPUHOOZICKMKOC-CYBMUJFWSA-N -1 1 316.195 2.178 20 10 DECDMM COC(C)(C)CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901963324 642848984 /nfs/dbraw/zinc/84/89/84/642848984.db2.gz QQOWGONTVJEDRT-UHFFFAOYSA-N -1 1 311.762 2.351 20 10 DECDMM Cc1nnc(NCc2cc(Br)cc(F)c2[O-])n1C ZINC000902063906 642906916 /nfs/dbraw/zinc/90/69/16/642906916.db2.gz MDAFIAYVDRCUQX-UHFFFAOYSA-N -1 1 315.146 2.343 20 10 DECDMM O=C(COC(=O)c1ccnc(C2CC2)c1)c1ccc([O-])c(O)c1 ZINC000784660528 643161573 /nfs/dbraw/zinc/16/15/73/643161573.db2.gz LXKZZAHMLFKHFV-UHFFFAOYSA-N -1 1 313.309 2.410 20 10 DECDMM COCc1ccccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789955273 643794604 /nfs/dbraw/zinc/79/46/04/643794604.db2.gz QWACXNZONLAPPT-UHFFFAOYSA-N -1 1 305.305 2.313 20 10 DECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000795354852 644558796 /nfs/dbraw/zinc/55/87/96/644558796.db2.gz VATLRNMWOSCWHF-UHFFFAOYSA-N -1 1 308.359 2.159 20 10 DECDMM O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000916590304 647883256 /nfs/dbraw/zinc/88/32/56/647883256.db2.gz ZSSIUPQRFHWWJZ-UHFFFAOYSA-N -1 1 317.253 2.046 20 10 DECDMM O=C1OCCN1[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826999962 648959366 /nfs/dbraw/zinc/95/93/66/648959366.db2.gz FLYYTYSYOSZBPU-NSHDSACASA-N -1 1 314.744 2.211 20 10 DECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000827337358 649017743 /nfs/dbraw/zinc/01/77/43/649017743.db2.gz VTZVABQJTJPXML-LLVKDONJSA-N -1 1 309.337 2.126 20 10 DECDMM CC(C)[C@H](CO)[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C(C)C ZINC000834054343 649773838 /nfs/dbraw/zinc/77/38/38/649773838.db2.gz RHLFXJFXIAMPFB-HZMBPMFUSA-N -1 1 313.369 2.256 20 10 DECDMM O=C1N=C(N2CCOCC2)S/C1=C\c1cccc([O-])c1Cl ZINC000834412513 649794450 /nfs/dbraw/zinc/79/44/50/649794450.db2.gz HUDWDGLNXPLYEV-FLIBITNWSA-N -1 1 324.789 2.348 20 10 DECDMM CCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000844209987 651092936 /nfs/dbraw/zinc/09/29/36/651092936.db2.gz MYHQCZINFGNDGT-HWPRWLFBSA-N -1 1 319.361 2.223 20 10 DECDMM CN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000846279870 651320170 /nfs/dbraw/zinc/32/01/70/651320170.db2.gz OTUWEXVZUHAAEL-UHFFFAOYSA-N -1 1 318.377 2.202 20 10 DECDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc(CCO)s1 ZINC000865294220 687169206 /nfs/dbraw/zinc/16/92/06/687169206.db2.gz 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CC(=O)c1cc(Cl)cc(CN2C[C@H](O)CC(F)(F)C2)c1[O-] ZINC000787364219 643486979 /nfs/dbraw/zinc/48/69/79/643486979.db2.gz CEFZIKDSFPGTCT-LLVKDONJSA-N -1 1 319.735 2.450 20 10 DECDMM CO[C@@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000908330467 644822567 /nfs/dbraw/zinc/82/25/67/644822567.db2.gz YKUVCUIMBPGPDJ-LBPRGKRZSA-N -1 1 321.826 2.136 20 10 DECDMM CN(C)c1ccc(CN(C)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000798153442 644973015 /nfs/dbraw/zinc/97/30/15/644973015.db2.gz WCRCZMFLGKREHG-UHFFFAOYSA-N -1 1 312.369 2.300 20 10 DECDMM Cc1ccccc1-n1cc(C=C2SC(=S)[N-]C2=O)nn1 ZINC000806569244 645847154 /nfs/dbraw/zinc/84/71/54/645847154.db2.gz OHYVYQFMAGKFGB-WDZFZDKYSA-N -1 1 302.384 2.065 20 10 DECDMM O=C(COC(=O)c1cc(F)cc(F)c1)c1ccc([O-])c(O)c1 ZINC000916591366 647883175 /nfs/dbraw/zinc/88/31/75/647883175.db2.gz XPIBGSRDMPZOPD-UHFFFAOYSA-N -1 1 308.236 2.416 20 10 DECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](OC(F)F)C1 ZINC000828150634 649142360 /nfs/dbraw/zinc/14/23/60/649142360.db2.gz 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DECDMM COC[C@@H]1Cn2ccnc2CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142512880 796746763 /nfs/dbraw/zinc/74/67/63/796746763.db2.gz OIMNZFALUSMZNJ-NSHDSACASA-N -1 1 323.343 2.145 20 10 DECDMM Cn1nnc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc21 ZINC001193229741 797534904 /nfs/dbraw/zinc/53/49/04/797534904.db2.gz LPMSYDOLQMTSSN-UHFFFAOYSA-N -1 1 318.720 2.285 20 10 DECDMM C[C@@H]1CN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)C2(CC2)C1 ZINC001155225365 797711652 /nfs/dbraw/zinc/71/16/52/797711652.db2.gz LEWCUEXMIRFQCU-VIFPVBQESA-N -1 1 315.325 2.219 20 10 DECDMM CC(C)(C)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001159279216 798545009 /nfs/dbraw/zinc/54/50/09/798545009.db2.gz MJPKANJVNWPMHQ-UHFFFAOYSA-N -1 1 301.346 2.480 20 10 DECDMM O=C(CNc1ccc(-c2ccncc2)nn1)c1ccc([O-])c(O)c1 ZINC001159280153 798545450 /nfs/dbraw/zinc/54/54/50/798545450.db2.gz COFBQRDHPQVETL-UHFFFAOYSA-N -1 1 322.324 2.245 20 10 DECDMM Cc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233418494 802111411 /nfs/dbraw/zinc/11/14/11/802111411.db2.gz 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972963155 /nfs/dbraw/zinc/96/31/55/972963155.db2.gz KWGCKBCWBHKXSG-UHFFFAOYSA-N -1 1 313.781 2.325 20 10 DECDMM CC[N@@H+](CC(=O)[O-])Cc1cc(C)cc(Br)c1[O-] ZINC001596224846 983615428 /nfs/dbraw/zinc/61/54/28/983615428.db2.gz DXJHNAWXVKXKPL-UHFFFAOYSA-N -1 1 302.168 2.370 20 10 DECDMM CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CC(=O)[O-])C2CC2)c1[O-] ZINC001589271346 985973237 /nfs/dbraw/zinc/97/32/37/985973237.db2.gz ZWRLRUFNAKCEEC-INIZCTEOSA-N -1 1 309.337 2.467 20 10 DECDMM C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1C(=O)[O-] ZINC001593287899 994651295 /nfs/dbraw/zinc/65/12/95/994651295.db2.gz BCMYXQNDPMDALU-XROYCOCOSA-N -1 1 314.179 2.354 20 10 DECDMM C[C@](CCF)([NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC001604141433 1070241508 /nfs/dbraw/zinc/24/15/08/1070241508.db2.gz CPPLAICENRFXHU-GFCCVEGCSA-N -1 1 320.158 2.447 20 10 DECDMM O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC001610742273 1078071098 /nfs/dbraw/zinc/07/10/98/1078071098.db2.gz PFVFBUNYCNMCCV-QWRGUYRKSA-N -1 1 314.179 2.498 20 10 DECDMM O=C(COc1nccc(C(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC001559362688 1075121410 /nfs/dbraw/zinc/12/14/10/1075121410.db2.gz ODYFXONHLOVNHD-UHFFFAOYSA-N -1 1 314.219 2.168 20 10 DECDMM NC(=O)NCc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001560710935 1075144652 /nfs/dbraw/zinc/14/46/52/1075144652.db2.gz ZAXWEJODMXVJPK-UHFFFAOYSA-N -1 1 307.300 2.451 20 10 DECDMM O=[N+]([O-])c1c(NCc2ccccc2O)cccc1-c1nnn[n-]1 ZINC001593468325 1077005314 /nfs/dbraw/zinc/00/53/14/1077005314.db2.gz DEZJDGCMNPYEBA-UHFFFAOYSA-N -1 1 312.289 2.093 20 10 DECDMM O=[N+]([O-])c1c(NCc2ccccc2O)cccc1-c1nn[n-]n1 ZINC001593468325 1077005320 /nfs/dbraw/zinc/00/53/20/1077005320.db2.gz DEZJDGCMNPYEBA-UHFFFAOYSA-N -1 1 312.289 2.093 20 10 DECDMM c1csc(Sc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1 ZINC001593589242 1077043847 /nfs/dbraw/zinc/04/38/47/1077043847.db2.gz SQVMFHVFNLZKSM-UHFFFAOYSA-N -1 1 303.376 2.142 20 10 DECDMM c1csc(Sc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1 ZINC001593589242 1077043853 /nfs/dbraw/zinc/04/38/53/1077043853.db2.gz SQVMFHVFNLZKSM-UHFFFAOYSA-N -1 1 303.376 2.142 20 10 DECDMM O=C([O-])[C@H](CC(F)F)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001601639596 1077422935 /nfs/dbraw/zinc/42/29/35/1077422935.db2.gz XZVBENORXFNFFE-QMMMGPOBSA-N -1 1 324.121 2.353 20 10 DECDMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(Cl)cc1[O-] ZINC001658946670 1080223683 /nfs/dbraw/zinc/22/36/83/1080223683.db2.gz CKFQSOCKBZPAGZ-ZJUUUORDSA-N -1 1 303.811 2.053 20 10 DECDMM CCOCc1nc([C@H](C)NCc2cc(F)c(F)cc2[O-])no1 ZINC001659343282 1080238426 /nfs/dbraw/zinc/23/84/26/1080238426.db2.gz XYRDHNOGGMUHOU-QMMMGPOBSA-N -1 1 313.304 2.441 20 10 DECDMM Cc1cc(Br)c([O-])c(CN2CCN(C#N)CC2)c1 ZINC001236669772 1138393072 /nfs/dbraw/zinc/39/30/72/1138393072.db2.gz IZGQNZKMCPDFFA-UHFFFAOYSA-N -1 1 310.195 2.062 20 10 DECDMM CCc1nnc2n1CCN(Cc1c([O-])cc(OC)cc1Cl)C2 ZINC001236807970 1138434709 /nfs/dbraw/zinc/43/47/09/1138434709.db2.gz LJTVJNQYFNCAGJ-UHFFFAOYSA-N -1 1 322.796 2.224 20 10 DECDMM O=C(Cc1ccc([O-])c(Cl)c1)NCCc1ccc(O)c(O)c1 ZINC001294913752 1139304434 /nfs/dbraw/zinc/30/44/34/1139304434.db2.gz SDAYSIZQGLOXJV-UHFFFAOYSA-N -1 1 321.760 2.358 20 10 DECDMM COc1cccc(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1 ZINC001259189370 1144073797 /nfs/dbraw/zinc/07/37/97/1144073797.db2.gz VFIVOTAVMKQYBZ-UHFFFAOYSA-N -1 1 315.297 2.480 20 10 DECDMM [O-]c1c(Cl)cccc1CN1CCN(c2ncc(F)cn2)CC1 ZINC000273610877 130144332 /nfs/dbraw/zinc/14/43/32/130144332.db2.gz ADVTZGFKMHJASC-UHFFFAOYSA-N -1 1 322.771 2.297 20 10 DECDMM COc1c([O-])c(CN(C)Cc2cscn2)ccc1[N+](=O)[O-] ZINC000278143928 402859652 /nfs/dbraw/zinc/85/96/52/402859652.db2.gz BMOYNAOGDHLYQY-UHFFFAOYSA-N -1 1 309.347 2.398 20 10 DECDMM C[C@H](CCO)C1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000297388380 533948651 /nfs/dbraw/zinc/94/86/51/533948651.db2.gz DXSKVBNGYKMKLM-SNVBAGLBSA-N -1 1 311.353 2.156 20 10 DECDMM CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1[O-] ZINC000820014889 604556998 /nfs/dbraw/zinc/55/69/98/604556998.db2.gz IWHCMPABTRLQSS-UHFFFAOYSA-N -1 1 302.168 2.450 20 10 DECDMM 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HKECUIDHBSULPS-ZCFIWIBFSA-N -1 1 311.700 2.171 20 10 DECDMM O=C(N[C@@H]1CCCC[C@H]1F)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231964 797713753 /nfs/dbraw/zinc/71/37/53/797713753.db2.gz OESZXXNEPAZZQZ-GHMZBOCLSA-N -1 1 321.304 2.215 20 10 DECDMM O=C(CNC(=O)c1cc2sccc2[nH]1)c1ccc([O-])c(O)c1 ZINC001152267920 798056817 /nfs/dbraw/zinc/05/68/17/798056817.db2.gz NMXZKRQKAFTIQY-UHFFFAOYSA-N -1 1 316.338 2.253 20 10 DECDMM O=S(=O)(Cc1ccccn1)Nc1cc(F)c([O-])c(F)c1 ZINC001197820755 798248857 /nfs/dbraw/zinc/24/88/57/798248857.db2.gz KGVOLCUXCYEOGD-UHFFFAOYSA-N -1 1 300.286 2.007 20 10 DECDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)cc1N ZINC000161067792 798477197 /nfs/dbraw/zinc/47/71/97/798477197.db2.gz VYRIFCFGVVEACW-UHFFFAOYSA-N -1 1 305.403 2.444 20 10 DECDMM COc1cc(Cl)cnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159277706 798545342 /nfs/dbraw/zinc/54/53/42/798545342.db2.gz VYMAHKFFYUHRFV-UHFFFAOYSA-N -1 1 308.721 2.450 20 10 DECDMM CCN(CC)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001159279484 798545551 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Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)cc(-c2nnn[n-]2)n1 ZINC001605717330 1070870965 /nfs/dbraw/zinc/87/09/65/1070870965.db2.gz FWGVULMCALQCLJ-GFCCVEGCSA-N -1 1 323.404 2.231 20 10 DECDMM Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)cc(-c2nn[n-]n2)n1 ZINC001605717330 1070870988 /nfs/dbraw/zinc/87/09/88/1070870988.db2.gz FWGVULMCALQCLJ-GFCCVEGCSA-N -1 1 323.404 2.231 20 10 DECDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](O)c1ccccc1 ZINC001457849653 1058033359 /nfs/dbraw/zinc/03/33/59/1058033359.db2.gz ARHYWWLWOQLSKZ-YMTOWFKASA-N -1 1 305.305 2.089 20 10 DECDMM O=C(NC[C@H]1OCc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC001458046822 1058042055 /nfs/dbraw/zinc/04/20/55/1058042055.db2.gz WSKLPRNHOLUZML-CYBMUJFWSA-N -1 1 303.289 2.238 20 10 DECDMM Cc1c(CNC(=O)c2c(F)ccc(O)c2[O-])cccc1[N+](=O)[O-] ZINC001648710937 1075006712 /nfs/dbraw/zinc/00/67/12/1075006712.db2.gz XMDNRNSIPCMTSM-UHFFFAOYSA-N -1 1 320.276 2.384 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2c(cc1O)OCO2 ZINC001558756898 1075104518 /nfs/dbraw/zinc/10/45/18/1075104518.db2.gz GWOYVKHVQHSWEU-UHFFFAOYSA-N -1 1 321.716 2.410 20 10 DECDMM CO[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])Cc1ccccc1 ZINC001558983991 1075109897 /nfs/dbraw/zinc/10/98/97/1075109897.db2.gz IHVPSLPJZSEHEG-LBPRGKRZSA-N -1 1 319.332 2.224 20 10 DECDMM Oc1cccc(F)c1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593540203 1077018934 /nfs/dbraw/zinc/01/89/34/1077018934.db2.gz RGDFRRQAVFCJGR-UHFFFAOYSA-N -1 1 320.715 2.372 20 10 DECDMM Oc1cccc(F)c1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593540203 1077018940 /nfs/dbraw/zinc/01/89/40/1077018940.db2.gz RGDFRRQAVFCJGR-UHFFFAOYSA-N -1 1 320.715 2.372 20 10 DECDMM [O-]c1c(Cl)cccc1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001593539003 1077019765 /nfs/dbraw/zinc/01/97/65/1077019765.db2.gz NGZZMQHDTKKESS-UHFFFAOYSA-N -1 1 302.725 2.233 20 10 DECDMM Cc1cc(O)c(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1Cl ZINC001600285375 1077176429 /nfs/dbraw/zinc/17/64/29/1077176429.db2.gz ASRFSKYOCTXDIL-OAHLLOKOSA-N -1 1 324.764 2.159 20 10 DECDMM O=C(Cn1ncc2cccnc21)NCc1cccc(Cl)c1[O-] ZINC001653567065 1079933002 /nfs/dbraw/zinc/93/30/02/1079933002.db2.gz IRKIIRUXXYNINP-UHFFFAOYSA-N -1 1 316.748 2.107 20 10 DECDMM COc1nnccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001670686245 1082216674 /nfs/dbraw/zinc/21/66/74/1082216674.db2.gz WHLLKFPYXGQIPP-UHFFFAOYSA-N -1 1 308.725 2.166 20 10 DECDMM CC(=O)[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC001236801759 1138431206 /nfs/dbraw/zinc/43/12/06/1138431206.db2.gz FGQJEMUDAAEEKG-CYBMUJFWSA-N -1 1 304.173 2.489 20 10 DECDMM COc1cc(O)c(C[N@H+](C)[C@H]2CCOC2)c(Br)c1 ZINC001237068587 1138494281 /nfs/dbraw/zinc/49/42/81/1138494281.db2.gz SVWQEFGGJMIRTA-VIFPVBQESA-N -1 1 316.195 2.384 20 10 DECDMM CN(C1COC1)C1CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237081354 1138501227 /nfs/dbraw/zinc/50/12/27/1138501227.db2.gz KMRPNLRIDUBPFM-UHFFFAOYSA-N -1 1 317.216 2.214 20 10 DECDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2cccnn2)CC1 ZINC001237122940 1138508624 /nfs/dbraw/zinc/50/86/24/1138508624.db2.gz AGQABTXQRQUSRU-UHFFFAOYSA-N -1 1 322.771 2.297 20 10 DECDMM CN(Cc1cc(F)cc(Cl)c1[O-])C1CCS(=O)(=O)CC1 ZINC001237806978 1138795671 /nfs/dbraw/zinc/79/56/71/1138795671.db2.gz XSOOGDFSRPFSBF-UHFFFAOYSA-N -1 1 321.801 2.194 20 10 DECDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2O)cc1C ZINC001260632813 1144192507 /nfs/dbraw/zinc/19/25/07/1144192507.db2.gz NNOVZCVAZNBFHT-UHFFFAOYSA-N -1 1 309.343 2.216 20 10 DECDMM NC(=O)NC(=O)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001308380880 1147470472 /nfs/dbraw/zinc/47/04/72/1147470472.db2.gz BFOKAZYFKZZAOK-UHFFFAOYSA-N -1 1 321.283 2.091 20 10 DECDMM C[C@@H](CF)NC(=O)NCc1cccc(Br)c1[O-] ZINC000289243122 131368796 /nfs/dbraw/zinc/36/87/96/131368796.db2.gz SUMMCPXMYRPPGP-ZETCQYMHSA-N -1 1 305.147 2.312 20 10 DECDMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1c(F)ccc(O)c1[O-] ZINC000295092242 131882394 /nfs/dbraw/zinc/88/23/94/131882394.db2.gz XWSWCTIPRYMUOY-JTQLQIEISA-N -1 1 309.337 2.459 20 10 DECDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000276985182 403196553 /nfs/dbraw/zinc/19/65/53/403196553.db2.gz WYHZXDSLZNSXNU-GFCCVEGCSA-N -1 1 315.391 2.102 20 10 DECDMM C[C@@]1(O)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000129456478 525881496 /nfs/dbraw/zinc/88/14/96/525881496.db2.gz CUJCEHBVOVSPNJ-CYBMUJFWSA-N -1 1 300.742 2.301 20 10 DECDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833554567 604674990 /nfs/dbraw/zinc/67/49/90/604674990.db2.gz ZSVPCTOMAIDOJM-CYBMUJFWSA-N -1 1 314.725 2.250 20 10 DECDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCOC1 ZINC000833249226 604790069 /nfs/dbraw/zinc/79/00/69/604790069.db2.gz MOCMKRDGLGPQHK-LLVKDONJSA-N -1 1 313.781 2.359 20 10 DECDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCOC1 ZINC000833249226 604790071 /nfs/dbraw/zinc/79/00/71/604790071.db2.gz MOCMKRDGLGPQHK-LLVKDONJSA-N -1 1 313.781 2.359 20 10 DECDMM CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758281 623195552 /nfs/dbraw/zinc/19/55/52/623195552.db2.gz URYQYXAXIXQILT-ZDUSSCGKSA-N -1 1 324.808 2.453 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCc2nccn2C1 ZINC000890758252 623195816 /nfs/dbraw/zinc/19/58/16/623195816.db2.gz TVVSOLPESQSXLH-NSHDSACASA-N -1 1 305.765 2.121 20 10 DECDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N1CCSCC1 ZINC000890759595 623197633 /nfs/dbraw/zinc/19/76/33/623197633.db2.gz DJEPVMFEWPKFOX-JTQLQIEISA-N -1 1 314.838 2.099 20 10 DECDMM Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890760985 623198453 /nfs/dbraw/zinc/19/84/53/623198453.db2.gz HKMPMXXPUYRWBJ-NWDGAFQWSA-N -1 1 305.765 2.199 20 10 DECDMM Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1C(F)F ZINC000181246404 625215426 /nfs/dbraw/zinc/21/54/26/625215426.db2.gz DYIVNXSVHIXAHX-UHFFFAOYSA-N -1 1 315.301 2.139 20 10 DECDMM [O-]c1c(F)cc(Br)cc1CN1CCC(O)CC1 ZINC000893902183 636058926 /nfs/dbraw/zinc/05/89/26/636058926.db2.gz URDNFIMAJUTRNW-UHFFFAOYSA-N -1 1 304.159 2.251 20 10 DECDMM Cc1cncc(CCNC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000895826075 638208954 /nfs/dbraw/zinc/20/89/54/638208954.db2.gz PXLXHYGADOYHPL-UHFFFAOYSA-N -1 1 320.780 2.186 20 10 DECDMM C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756382132 639656835 /nfs/dbraw/zinc/65/68/35/639656835.db2.gz RHPQNQZMYYSSQB-BMIGLBTASA-N -1 1 315.329 2.178 20 10 DECDMM O=C([O-])C1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000840998879 640102415 /nfs/dbraw/zinc/10/24/15/640102415.db2.gz AHFZKNVTTBUYMP-UHFFFAOYSA-N -1 1 319.361 2.102 20 10 DECDMM CO[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765754864 640815582 /nfs/dbraw/zinc/81/55/82/640815582.db2.gz XKGKIVMTNSPPJK-QMMMGPOBSA-N -1 1 302.168 2.196 20 10 DECDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC000765765140 640815704 /nfs/dbraw/zinc/81/57/04/640815704.db2.gz OCGSMJSMSQTVEA-UHFFFAOYSA-N -1 1 322.162 2.183 20 10 DECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](c2ncccn2)C1 ZINC000899524353 642095859 /nfs/dbraw/zinc/09/58/59/642095859.db2.gz KSVOJLTTYLXZOS-JTQLQIEISA-N -1 1 317.320 2.047 20 10 DECDMM O=C(N[C@@H]1CCCc2cccnc21)c1c(F)ccc(O)c1[O-] ZINC000900716047 642450335 /nfs/dbraw/zinc/45/03/35/642450335.db2.gz KSRNKOHQSSDQLK-LLVKDONJSA-N -1 1 302.305 2.439 20 10 DECDMM CN(Cc1nc(=O)n(C)[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000781964702 642804945 /nfs/dbraw/zinc/80/49/45/642804945.db2.gz YINDMQPLCUZRPL-UHFFFAOYSA-N -1 1 324.384 2.324 20 10 DECDMM O=C(COC(=O)c1csc([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000783024475 642954907 /nfs/dbraw/zinc/95/49/07/642954907.db2.gz NHYFEFQVKZNCDX-UHFFFAOYSA-N -1 1 323.282 2.107 20 10 DECDMM O=C(CC1CCSCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784157835 643103044 /nfs/dbraw/zinc/10/30/44/643103044.db2.gz OADTWFGOVDOEET-UHFFFAOYSA-N -1 1 310.371 2.357 20 10 DECDMM CC(C)(O)c1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000787789857 643543929 /nfs/dbraw/zinc/54/39/29/643543929.db2.gz RGLBTSRELPLKFT-UHFFFAOYSA-N -1 1 301.705 2.407 20 10 DECDMM O=C(COC(=O)c1cc[nH]c1C1CC1)c1ccc([O-])c(O)c1 ZINC000792417174 644112987 /nfs/dbraw/zinc/11/29/87/644112987.db2.gz FGQSPTXWJAIGPK-UHFFFAOYSA-N -1 1 301.298 2.343 20 10 DECDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819913 644927159 /nfs/dbraw/zinc/92/71/59/644927159.db2.gz WDEDPWVEPOJMAT-UHFFFAOYSA-N -1 1 323.370 2.348 20 10 DECDMM CS(=O)(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000800535053 645284877 /nfs/dbraw/zinc/28/48/77/645284877.db2.gz YLZHYRQKHJHQAT-GFCCVEGCSA-N -1 1 317.838 2.445 20 10 DECDMM COc1ccc(O)c([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000806791668 645873126 /nfs/dbraw/zinc/87/31/26/645873126.db2.gz GLGJCVSQTTXTTJ-JTQLQIEISA-N -1 1 315.325 2.167 20 10 DECDMM Cc1cc(N(C)C)ccc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000806869717 645882277 /nfs/dbraw/zinc/88/22/77/645882277.db2.gz JPMPGVMJVIBNOF-UHFFFAOYSA-N -1 1 312.369 2.266 20 10 DECDMM C[C@H]1CCCN1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114499 646034812 /nfs/dbraw/zinc/03/48/12/646034812.db2.gz BCDAGVVFCLEOMH-ZETCQYMHSA-N -1 1 308.762 2.326 20 10 DECDMM O=C(CSc1nccs1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000919675681 648172792 /nfs/dbraw/zinc/17/27/92/648172792.db2.gz SICBCJJABYQWFX-UHFFFAOYSA-N -1 1 323.355 2.100 20 10 DECDMM Cc1noc(C)c1CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000826777513 648925406 /nfs/dbraw/zinc/92/54/06/648925406.db2.gz BTJRZBBOWZLHHF-UHFFFAOYSA-N -1 1 308.309 2.204 20 10 DECDMM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(O)c(F)c2F)c[nH]1 ZINC000830184729 649406054 /nfs/dbraw/zinc/40/60/54/649406054.db2.gz NAFGEHLJKBAQOJ-UHFFFAOYSA-N -1 1 317.317 2.318 20 10 DECDMM C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850498895 651940562 /nfs/dbraw/zinc/94/05/62/651940562.db2.gz FKLUIKZZAMEEIO-HOTUBEGUSA-N -1 1 303.322 2.249 20 10 DECDMM CN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000390226819 685438995 /nfs/dbraw/zinc/43/89/95/685438995.db2.gz QXRGILCRTYVEHH-FNORWQNLSA-N -1 1 319.361 2.223 20 10 DECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccccc1F ZINC000013463997 683846509 /nfs/dbraw/zinc/84/65/09/683846509.db2.gz CIKISGMFTGJFLS-UHFFFAOYSA-N -1 1 311.290 2.030 20 10 DECDMM CCOC(=O)c1cc(CNCc2ccc(F)c(F)c2[O-])on1 ZINC000877711544 690199842 /nfs/dbraw/zinc/19/98/42/690199842.db2.gz NJDYSFHLZQOYOE-UHFFFAOYSA-N -1 1 312.272 2.125 20 10 DECDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(CC2CCOCC2)C1 ZINC000881921348 691184689 /nfs/dbraw/zinc/18/46/89/691184689.db2.gz PMFSYNGXUWRZEB-UHFFFAOYSA-N -1 1 309.337 2.126 20 10 DECDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CCO)C(F)(F)F)c1 ZINC000886801931 692195123 /nfs/dbraw/zinc/19/51/23/692195123.db2.gz VLCJBPKSSKJTMQ-QPUJVOFHSA-N -1 1 321.295 2.143 20 10 DECDMM Nc1cc(F)ccc1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001212016175 780590088 /nfs/dbraw/zinc/59/00/88/780590088.db2.gz BMWYPSBTTPQKGP-UHFFFAOYSA-N -1 1 318.276 2.193 20 10 DECDMM Cc1c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc(F)c1F ZINC001148605909 791774312 /nfs/dbraw/zinc/77/43/12/791774312.db2.gz LCYJXDDDWPLWDK-UHFFFAOYSA-N -1 1 321.279 2.297 20 10 DECDMM Cc1n[nH]c(=O)c(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC001180410443 795301347 /nfs/dbraw/zinc/30/13/47/795301347.db2.gz QDWLWWONQYTXDN-UHFFFAOYSA-N -1 1 307.737 2.088 20 10 DECDMM O=C(N[C@@H]1COCc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC001183720319 795920964 /nfs/dbraw/zinc/92/09/64/795920964.db2.gz HYYLDBYQHPWQMH-GFCCVEGCSA-N -1 1 303.289 2.238 20 10 DECDMM O=C1CN(Cc2c([O-])cccc2F)CCN1Cc1ccccc1 ZINC001137839176 796145380 /nfs/dbraw/zinc/14/53/80/796145380.db2.gz UYGFBDSVNZKMJR-UHFFFAOYSA-N -1 1 314.360 2.376 20 10 DECDMM COC(=O)c1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cn1C ZINC001193219632 797523605 /nfs/dbraw/zinc/52/36/05/797523605.db2.gz LMXFMAVHPWSPIY-UHFFFAOYSA-N -1 1 324.720 2.129 20 10 DECDMM COc1cc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159276089 798545436 /nfs/dbraw/zinc/54/54/36/798545436.db2.gz DYAYGSRYRKAMEJ-UHFFFAOYSA-N -1 1 308.721 2.450 20 10 DECDMM [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001231911553 801748918 /nfs/dbraw/zinc/74/89/18/801748918.db2.gz NWCYYODPEOIZBL-GASCZTMLSA-N -1 1 322.836 2.341 20 10 DECDMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1O ZINC001591711448 975593533 /nfs/dbraw/zinc/59/35/33/975593533.db2.gz KJBPFPJPASCFPP-LBPRGKRZSA-N -1 1 301.770 2.356 20 10 DECDMM CCC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC000701088832 976995962 /nfs/dbraw/zinc/99/59/62/976995962.db2.gz BLIBEDGIDVJFGG-SNVBAGLBSA-N -1 1 302.168 2.498 20 10 DECDMM C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000701093161 976996447 /nfs/dbraw/zinc/99/64/47/976996447.db2.gz LZKVGBLFTAJCIZ-GZMMTYOYSA-N -1 1 314.179 2.450 20 10 DECDMM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000701093161 976996460 /nfs/dbraw/zinc/99/64/60/976996460.db2.gz LZKVGBLFTAJCIZ-GZMMTYOYSA-N -1 1 314.179 2.450 20 10 DECDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](O)c1ccccc1 ZINC001457849643 1058033353 /nfs/dbraw/zinc/03/33/53/1058033353.db2.gz ARHYWWLWOQLSKZ-LKFCYVNXSA-N -1 1 305.305 2.089 20 10 DECDMM Cc1cc(=O)n(C)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001465824103 1059367667 /nfs/dbraw/zinc/36/76/67/1059367667.db2.gz USPKYANVVYIWQJ-UHFFFAOYSA-N -1 1 321.764 2.374 20 10 DECDMM Cc1cnc(C(=O)NCc2ccc3cccnc3c2O)c([O-])c1 ZINC001638573348 1078571970 /nfs/dbraw/zinc/57/19/70/1078571970.db2.gz SQZSZTQMFCQNHZ-UHFFFAOYSA-N -1 1 309.325 2.279 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cncc2[nH]cnc21 ZINC001640405030 1078658949 /nfs/dbraw/zinc/65/89/49/1078658949.db2.gz KTZPNGISLXNMEA-UHFFFAOYSA-N -1 1 302.721 2.247 20 10 DECDMM O=C([O-])[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001601794891 1068662647 /nfs/dbraw/zinc/66/26/47/1068662647.db2.gz UGLGHBDTOYGMMD-KWQFWETISA-N -1 1 314.179 2.498 20 10 DECDMM C[C@@]1(CO)CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235295695 1079011309 /nfs/dbraw/zinc/01/13/09/1079011309.db2.gz DTMQMQWFJOAHIU-CYBMUJFWSA-N -1 1 318.186 2.498 20 10 DECDMM Cc1ccc(NCc2ccc(N(C)C)cc2)nc1-c1nnn[n-]1 ZINC001592185292 1076870827 /nfs/dbraw/zinc/87/08/27/1076870827.db2.gz VMGPINJZBFUKQV-UHFFFAOYSA-N -1 1 309.377 2.248 20 10 DECDMM Cc1ccc(NCc2ccc(N(C)C)cc2)nc1-c1nn[n-]n1 ZINC001592185292 1076870831 /nfs/dbraw/zinc/87/08/31/1076870831.db2.gz VMGPINJZBFUKQV-UHFFFAOYSA-N -1 1 309.377 2.248 20 10 DECDMM Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1C(C)C ZINC001600285581 1077176688 /nfs/dbraw/zinc/17/66/88/1077176688.db2.gz FMTDNLHWROLGHI-WBMJQRKESA-N -1 1 307.390 2.498 20 10 DECDMM CC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H](C)S1(=O)=O ZINC001658058699 1080195288 /nfs/dbraw/zinc/19/52/88/1080195288.db2.gz XJRDSSPMSSZFDY-ZWNOBZJWSA-N -1 1 317.838 2.443 20 10 DECDMM C[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1O ZINC001235296580 1084376608 /nfs/dbraw/zinc/37/66/08/1084376608.db2.gz LHWAPWYOJBQQHG-CPCISQLKSA-N -1 1 304.159 2.106 20 10 DECDMM COc1cc([O-])c(CN2CCC(=O)C(F)(F)C2)c(Cl)c1 ZINC001236802602 1138432697 /nfs/dbraw/zinc/43/26/97/1138432697.db2.gz JDOAXDRHIYTOJA-UHFFFAOYSA-N -1 1 305.708 2.464 20 10 DECDMM COc1ccc(CS(=O)(=O)[N-]c2cccc(O)c2O)cc1 ZINC001259899598 1144155588 /nfs/dbraw/zinc/15/55/88/1144155588.db2.gz XVZYCTPXQRDEMH-UHFFFAOYSA-N -1 1 309.343 2.048 20 10 DECDMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1c(F)ccc(O)c1[O-] ZINC001261272418 1144229485 /nfs/dbraw/zinc/22/94/85/1144229485.db2.gz GOMHDDLADMUREA-SNVBAGLBSA-N -1 1 309.337 2.316 20 10 DECDMM CN(CCN(C)c1ccccc1)C(=O)c1c([O-])c(O)ccc1F ZINC001306538156 1147386090 /nfs/dbraw/zinc/38/60/90/1147386090.db2.gz BJBDDUVRXJWNTQ-UHFFFAOYSA-N -1 1 318.348 2.445 20 10 DECDMM CN(C)C(=O)CN(Cc1ccc(Cl)cc1[O-])CC(F)(F)F ZINC001308561337 1147480937 /nfs/dbraw/zinc/48/09/37/1147480937.db2.gz WVNPQQQRBMNPMZ-UHFFFAOYSA-N -1 1 324.730 2.498 20 10 DECDMM COc1c([O-])c(CN2CCO[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278247139 402862439 /nfs/dbraw/zinc/86/24/39/402862439.db2.gz OTKOAGVQTVOMQI-WCQYABFASA-N -1 1 308.334 2.062 20 10 DECDMM CC(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000295427590 403919324 /nfs/dbraw/zinc/91/93/24/403919324.db2.gz SULUXXWBCADGOR-UHFFFAOYSA-N -1 1 312.163 2.140 20 10 DECDMM COCC[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccco1 ZINC000295751408 404010590 /nfs/dbraw/zinc/01/05/90/404010590.db2.gz AMRGCWDJDIHZBI-SNVBAGLBSA-N -1 1 309.293 2.338 20 10 DECDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nn(C)cc2Cl)c1 ZINC000834883889 649857110 /nfs/dbraw/zinc/85/71/10/649857110.db2.gz UPAPHNYKKSCJRQ-SECBINFHSA-N -1 1 323.780 2.417 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(C)=O)C[C@@H]2C)c1[O-] ZINC000268630124 527207105 /nfs/dbraw/zinc/20/71/05/527207105.db2.gz BMZZREDJNHIQLL-JTQLQIEISA-N -1 1 324.808 2.301 20 10 DECDMM c1cc(NCc2ccc(N3CCCC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000738420214 599408745 /nfs/dbraw/zinc/40/87/45/599408745.db2.gz ZINMZZAXTWHXNA-UHFFFAOYSA-N -1 1 321.388 2.474 20 10 DECDMM c1cc(NCc2ccc(N3CCCC3)cc2)nc(-c2nn[n-]n2)c1 ZINC000738420214 599408747 /nfs/dbraw/zinc/40/87/47/599408747.db2.gz ZINMZZAXTWHXNA-UHFFFAOYSA-N -1 1 321.388 2.474 20 10 DECDMM Oc1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826511127 608181535 /nfs/dbraw/zinc/18/15/35/608181535.db2.gz CXHSEKAMGRYWAO-UHFFFAOYSA-N -1 1 308.754 2.294 20 10 DECDMM Oc1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826511127 608181537 /nfs/dbraw/zinc/18/15/37/608181537.db2.gz CXHSEKAMGRYWAO-UHFFFAOYSA-N -1 1 308.754 2.294 20 10 DECDMM CC(=O)c1cc(F)cc(CN2CCC[C@H](CNC(=O)[O-])C2)c1O ZINC000823627490 604224116 /nfs/dbraw/zinc/22/41/16/604224116.db2.gz HNYSAWWAUAZPPN-LLVKDONJSA-N -1 1 324.352 2.214 20 10 DECDMM C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000833635718 604548209 /nfs/dbraw/zinc/54/82/09/604548209.db2.gz WLDVWBGBPYGAHI-OXTPZFROSA-N -1 1 319.361 2.221 20 10 DECDMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000160837548 624101988 /nfs/dbraw/zinc/10/19/88/624101988.db2.gz GMQLEDDAGIYQIF-UHFFFAOYSA-N -1 1 307.306 2.471 20 10 DECDMM CC(C)CN1C(=O)C(=CNc2ccccc2F)C(=O)[N-]C1=S ZINC000255304701 624143560 /nfs/dbraw/zinc/14/35/60/624143560.db2.gz TWTNZESTGSPTAL-JXMROGBWSA-N -1 1 321.377 2.021 20 10 DECDMM COC[C@@H]1COCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000933338339 624176700 /nfs/dbraw/zinc/17/67/00/624176700.db2.gz YVAJRDOQJXJWSE-CYBMUJFWSA-N -1 1 313.781 2.095 20 10 DECDMM O=C(NCCO)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000317213128 635201967 /nfs/dbraw/zinc/20/19/67/635201967.db2.gz AYEFGCNBOHLZCK-UHFFFAOYSA-N -1 1 320.776 2.380 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000893643612 635640216 /nfs/dbraw/zinc/64/02/16/635640216.db2.gz VTALZRGQIAIKSO-NSHDSACASA-N -1 1 320.780 2.125 20 10 DECDMM Oc1c(F)cc(F)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000894083442 636104456 /nfs/dbraw/zinc/10/44/56/636104456.db2.gz CWKYCVYWPVRGSV-CHWSQXEVSA-N -1 1 301.358 2.377 20 10 DECDMM O=C(COC(=O)c1[nH]ccc1C1CC1)c1ccc([O-])c(O)c1 ZINC000838462305 637562074 /nfs/dbraw/zinc/56/20/74/637562074.db2.gz OLJFIRWVPSOCKN-UHFFFAOYSA-N -1 1 301.298 2.343 20 10 DECDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@](O)(CO)C1 ZINC000839156867 637794142 /nfs/dbraw/zinc/79/41/42/637794142.db2.gz JLYHEGWYTUYBCJ-ZDUSSCGKSA-N -1 1 306.189 2.018 20 10 DECDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000765734954 640813724 /nfs/dbraw/zinc/81/37/24/640813724.db2.gz AFTMSUYORZQHFG-UHFFFAOYSA-N -1 1 310.151 2.116 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000765751578 640815169 /nfs/dbraw/zinc/81/51/69/640815169.db2.gz GTNGENRBZVBTCH-UHFFFAOYSA-N -1 1 307.147 2.480 20 10 DECDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000148639405 640824242 /nfs/dbraw/zinc/82/42/42/640824242.db2.gz ZTZNSGYMMQYQJL-UHFFFAOYSA-N -1 1 308.315 2.410 20 10 DECDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C ZINC000776746274 642203464 /nfs/dbraw/zinc/20/34/64/642203464.db2.gz UPXINCZVPYJRCT-UHFFFAOYSA-N -1 1 321.354 2.288 20 10 DECDMM O=C1[N-]C(=S)S/C1=C\c1cccc(Br)n1 ZINC000777912796 642321542 /nfs/dbraw/zinc/32/15/42/642321542.db2.gz YIDXEWXYDNJFLP-XQRVVYSFSA-N -1 1 301.190 2.333 20 10 DECDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccnn1C1CCC1 ZINC000901914427 642821740 /nfs/dbraw/zinc/82/17/40/642821740.db2.gz ZBNZWCIBGNSDFG-UHFFFAOYSA-N -1 1 311.338 2.254 20 10 DECDMM CCc1nc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cs1 ZINC000783140236 642968390 /nfs/dbraw/zinc/96/83/90/642968390.db2.gz OEBHDAQILWQPDJ-UHFFFAOYSA-N -1 1 321.354 2.085 20 10 DECDMM COc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(OC)c1 ZINC000789954248 643794353 /nfs/dbraw/zinc/79/43/53/643794353.db2.gz 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324.332 2.410 20 10 DECDMM COC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(Cl)cc1[O-] ZINC001140465371 777185958 /nfs/dbraw/zinc/18/59/58/777185958.db2.gz KSIKCJKMFPFDQN-JTQLQIEISA-N -1 1 305.708 2.428 20 10 DECDMM Cc1cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)ccc1N ZINC001175097065 794138779 /nfs/dbraw/zinc/13/87/79/794138779.db2.gz NBQHYQWHDYMOBR-UHFFFAOYSA-N -1 1 314.313 2.362 20 10 DECDMM C[C@@]1(CO)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC001203574482 795916641 /nfs/dbraw/zinc/91/66/41/795916641.db2.gz YBDMICAGSGRNQF-OCCSQVGLSA-N -1 1 320.216 2.264 20 10 DECDMM COCc1cnc2n1CCN(Cc1c([O-])cccc1F)[C@@H]2C ZINC001137834314 796144230 /nfs/dbraw/zinc/14/42/30/796144230.db2.gz BZZCMVOUMJPFNL-LLVKDONJSA-N -1 1 305.353 2.451 20 10 DECDMM Cc1nccnc1O[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686901 796409698 /nfs/dbraw/zinc/40/96/98/796409698.db2.gz IDSBPBOZBQFWGM-NSHDSACASA-N -1 1 321.327 2.422 20 10 DECDMM Nc1ccccc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001193932417 797644544 /nfs/dbraw/zinc/64/45/44/797644544.db2.gz 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DECDMM Cc1cccn2cc(CNC(=O)c3c(F)ccc(O)c3[O-])nc12 ZINC000789973397 643797883 /nfs/dbraw/zinc/79/78/83/643797883.db2.gz QEKGOGIRYCOVKK-UHFFFAOYSA-N -1 1 315.304 2.123 20 10 DECDMM C[C@H](Cc1ccc(O)cc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789996840 643802094 /nfs/dbraw/zinc/80/20/94/643802094.db2.gz TWAMZOCOIJMBJG-SECBINFHSA-N -1 1 305.305 2.304 20 10 DECDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Cl)cc1-n1cncn1 ZINC000794927123 644494806 /nfs/dbraw/zinc/49/48/06/644494806.db2.gz OYPMHHPVGSVPST-KMKOMSMNSA-N -1 1 322.802 2.410 20 10 DECDMM C[C@@H]1C[C@@H](S(=O)(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000908327897 644831837 /nfs/dbraw/zinc/83/18/37/644831837.db2.gz JOAGCQSJPWCWJD-KOLCDFICSA-N -1 1 319.810 2.033 20 10 DECDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1O ZINC000797819277 644927174 /nfs/dbraw/zinc/92/71/74/644927174.db2.gz CWQRKOCTYXKQJD-UHFFFAOYSA-N -1 1 321.354 2.232 20 10 DECDMM Cc1ccccc1-n1cc(C=C2SC(=S)[N-]C2=O)nn1 ZINC000806569243 645847414 /nfs/dbraw/zinc/84/74/14/645847414.db2.gz 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20 10 DECDMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001464274614 1059105418 /nfs/dbraw/zinc/10/54/18/1059105418.db2.gz URWACBJNGVNZJC-JTQLQIEISA-N -1 1 323.370 2.146 20 10 DECDMM Nc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001475774467 1061042474 /nfs/dbraw/zinc/04/24/74/1061042474.db2.gz FSTSWDAWQUBLBX-UHFFFAOYSA-N -1 1 312.778 2.106 20 10 DECDMM COc1c([O-])c(CN2CC(OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC001621203159 1078170911 /nfs/dbraw/zinc/17/09/11/1078170911.db2.gz APQVEDGPMOXBAY-UHFFFAOYSA-N -1 1 310.350 2.166 20 10 DECDMM COC(=O)Cc1occc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001637227066 1078509581 /nfs/dbraw/zinc/50/95/81/1078509581.db2.gz LMWMQURXCNZFHT-UHFFFAOYSA-N -1 1 323.732 2.284 20 10 DECDMM O=C(NCCc1cccc(F)c1F)c1c([O-])c(O)ccc1F ZINC001638329457 1078558067 /nfs/dbraw/zinc/55/80/67/1078558067.db2.gz QRSUFNWQWOTCHV-UHFFFAOYSA-N -1 1 311.259 2.488 20 10 DECDMM Nc1nc(Cl)c(N)c(NCc2cccc(Cl)c2[O-])n1 ZINC001559300096 1075119132 /nfs/dbraw/zinc/11/91/32/1075119132.db2.gz 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C[C@H](NCc1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274251166 299325559 /nfs/dbraw/zinc/32/55/59/299325559.db2.gz SGIUZJGTTZIXOX-JTQLQIEISA-N -1 1 317.349 2.079 20 10 DECDMM Cc1nnsc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000291735521 131596283 /nfs/dbraw/zinc/59/62/83/131596283.db2.gz OFVCRGOIMYFFKK-UHFFFAOYSA-N -1 1 314.754 2.404 20 10 DECDMM CCN(Cc1cccc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179562430 402594292 /nfs/dbraw/zinc/59/42/92/402594292.db2.gz LHQRUKCLNNSPIW-NSHDSACASA-N -1 1 303.811 2.055 20 10 DECDMM CC(C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277426280 403216267 /nfs/dbraw/zinc/21/62/67/403216267.db2.gz BJGASFQMSDGEPH-UHFFFAOYSA-N -1 1 322.224 2.230 20 10 DECDMM CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277513525 403225747 /nfs/dbraw/zinc/22/57/47/403225747.db2.gz LDFMWWPYTKFNGW-GXSJLCMTSA-N -1 1 314.179 2.196 20 10 DECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000295973388 404035257 /nfs/dbraw/zinc/03/52/57/404035257.db2.gz NRMJHONHNMHJEM-ZDUSSCGKSA-N -1 1 309.337 2.268 20 10 DECDMM CC(C)(O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000826636833 601380886 /nfs/dbraw/zinc/38/08/86/601380886.db2.gz OTFOZPDUEBEKKB-UHFFFAOYSA-N -1 1 301.770 2.093 20 10 DECDMM CC(C)(O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000826636833 601380889 /nfs/dbraw/zinc/38/08/89/601380889.db2.gz OTFOZPDUEBEKKB-UHFFFAOYSA-N -1 1 301.770 2.093 20 10 DECDMM CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000817872938 601537675 /nfs/dbraw/zinc/53/76/75/601537675.db2.gz NRJKQURJPVPEQX-AMIZOPFISA-N -1 1 311.765 2.401 20 10 DECDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000817872938 601537676 /nfs/dbraw/zinc/53/76/76/601537676.db2.gz NRJKQURJPVPEQX-AMIZOPFISA-N -1 1 311.765 2.401 20 10 DECDMM CC(C)[N@H+](CC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000232670340 604557007 /nfs/dbraw/zinc/55/70/07/604557007.db2.gz GSZPSDCURMZVFI-UHFFFAOYSA-N -1 1 302.168 2.450 20 10 DECDMM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000232670340 604557009 /nfs/dbraw/zinc/55/70/09/604557009.db2.gz GSZPSDCURMZVFI-UHFFFAOYSA-N -1 1 302.168 2.450 20 10 DECDMM C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C(=O)[O-] ZINC000833694555 604627735 /nfs/dbraw/zinc/62/77/35/604627735.db2.gz MDMSSPNOMUTHTJ-UHFFFAOYSA-N -1 1 302.714 2.249 20 10 DECDMM CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757487 623195209 /nfs/dbraw/zinc/19/52/09/623195209.db2.gz FLBMDPURLBKFMY-CYBMUJFWSA-N -1 1 324.808 2.453 20 10 DECDMM Cc1cn2c(n1)C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])CC2 ZINC000890762549 623202954 /nfs/dbraw/zinc/20/29/54/623202954.db2.gz GHIGCWDUTFNBMN-NSHDSACASA-N -1 1 319.792 2.429 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2n(n1)CCCC2=O ZINC000890763034 623203548 /nfs/dbraw/zinc/20/35/48/623203548.db2.gz NGFYPKILQVVGSO-UHFFFAOYSA-N -1 1 319.748 2.149 20 10 DECDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2csnn2)c1 ZINC000840885251 650371106 /nfs/dbraw/zinc/37/11/06/650371106.db2.gz AIDOKDUKETVEHO-IUCAKERBSA-N -1 1 307.375 2.442 20 10 DECDMM C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000895327975 637933582 /nfs/dbraw/zinc/93/35/82/637933582.db2.gz FPOLICHYRIFUNJ-MFKMUULPSA-N -1 1 306.189 2.017 20 10 DECDMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CO1 ZINC000765764540 640816255 /nfs/dbraw/zinc/81/62/55/640816255.db2.gz LXSVUUNJTKEAML-SCZZXKLOSA-N -1 1 314.179 2.196 20 10 DECDMM O=C(COC(=O)C1SCCCS1)c1ccc([O-])c(O)c1 ZINC000842126141 650656283 /nfs/dbraw/zinc/65/62/83/650656283.db2.gz RLTZRUKWNHCACW-UHFFFAOYSA-N -1 1 314.384 2.020 20 10 DECDMM O=C(NC[C@H]1CCC2(CCC2)CO1)c1c(F)ccc(O)c1[O-] ZINC000899465749 642078907 /nfs/dbraw/zinc/07/89/07/642078907.db2.gz FKYSMWARFUWOEG-SNVBAGLBSA-N -1 1 309.337 2.316 20 10 DECDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccccc1 ZINC000805608529 642395401 /nfs/dbraw/zinc/39/54/01/642395401.db2.gz FZHPXRPVDWKVOP-UHFFFAOYSA-N -1 1 324.340 2.252 20 10 DECDMM CSc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccn1 ZINC000783116697 642964965 /nfs/dbraw/zinc/96/49/65/642964965.db2.gz NYAADKVYULTKGR-UHFFFAOYSA-N 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DECDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CCO)C(F)(F)F)c1 ZINC000886801930 692194979 /nfs/dbraw/zinc/19/49/79/692194979.db2.gz VLCJBPKSSKJTMQ-PRHODGIISA-N -1 1 321.295 2.143 20 10 DECDMM CCc1cc(Cl)nnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170317066 786906280 /nfs/dbraw/zinc/90/62/80/786906280.db2.gz XJXIMFXIIJIDML-UHFFFAOYSA-N -1 1 307.737 2.398 20 10 DECDMM Cc1ccc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1F ZINC001179941577 795205661 /nfs/dbraw/zinc/20/56/61/795205661.db2.gz QUMBMRQORQPPNS-UHFFFAOYSA-N -1 1 317.316 2.087 20 10 DECDMM CC(C)OCc1nnc2n1CCN(Cc1c([O-])cccc1F)C2 ZINC001137834277 796144433 /nfs/dbraw/zinc/14/44/33/796144433.db2.gz APATVZGQJWVHON-UHFFFAOYSA-N -1 1 320.368 2.064 20 10 DECDMM [O-]c1cccc(F)c1CN1CCn2nc(C(F)(F)F)nc2C1 ZINC001137832010 796144437 /nfs/dbraw/zinc/14/44/37/796144437.db2.gz WRMDLRUFJCQMCS-UHFFFAOYSA-N -1 1 316.258 2.157 20 10 DECDMM Cc1ccnc(O[C@@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139690037 796411266 /nfs/dbraw/zinc/41/12/66/796411266.db2.gz MTXKVUUUBXHFPX-LLVKDONJSA-N -1 1 321.327 2.422 20 10 DECDMM Oc1cc(Cl)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC001140461819 796526133 /nfs/dbraw/zinc/52/61/33/796526133.db2.gz UNARNGOPRNQUHX-UHFFFAOYSA-N -1 1 304.781 2.158 20 10 DECDMM O=C(Nc1cnc2n[nH]cc2c1)c1ccc(O)c([O-])c1Cl ZINC001193209703 797521754 /nfs/dbraw/zinc/52/17/54/797521754.db2.gz NPWWSTMESIBGKV-UHFFFAOYSA-N -1 1 304.693 2.275 20 10 DECDMM O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(O)c([O-])c1Cl ZINC001193236627 797528871 /nfs/dbraw/zinc/52/88/71/797528871.db2.gz JVVBJQWJDHTGEX-SNVBAGLBSA-N -1 1 319.744 2.485 20 10 DECDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCC12CCCC2 ZINC001155223749 797711883 /nfs/dbraw/zinc/71/18/83/797711883.db2.gz KFGVRXXDSUARDN-UHFFFAOYSA-N -1 1 315.325 2.363 20 10 DECDMM Cc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)c(O)c1O ZINC001156714213 798068978 /nfs/dbraw/zinc/06/89/78/798068978.db2.gz FAOYHIGHRXOFFL-UHFFFAOYSA-N -1 1 323.295 2.363 20 10 DECDMM O=C(CNc1nccc2ncsc21)c1ccc([O-])c(O)c1 ZINC001159278770 798544871 /nfs/dbraw/zinc/54/48/71/798544871.db2.gz AVEDCPXPQNLXMY-UHFFFAOYSA-N -1 1 301.327 2.397 20 10 DECDMM O=C(CNc1cnc2ccc(F)cc2n1)c1ccc([O-])c(O)c1 ZINC001159277705 798545146 /nfs/dbraw/zinc/54/51/46/798545146.db2.gz VVTFCKBCRXAZGB-UHFFFAOYSA-N -1 1 313.288 2.475 20 10 DECDMM C=C(OCC)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nn1 ZINC001159276273 798545474 /nfs/dbraw/zinc/54/54/74/798545474.db2.gz GTIDIQOKYQKHKD-UHFFFAOYSA-N -1 1 315.329 2.190 20 10 DECDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1cccc(F)c1 ZINC001202235850 798850804 /nfs/dbraw/zinc/85/08/04/798850804.db2.gz KFGRCZZCNYZLMH-UHFFFAOYSA-N -1 1 304.277 2.241 20 10 DECDMM O=C(c1c([O-])c(O)ccc1F)N1CC(Nc2ccc(F)cc2)C1 ZINC001161640767 798900978 /nfs/dbraw/zinc/90/09/78/798900978.db2.gz LWRVXNREZTZRSU-UHFFFAOYSA-N -1 1 320.295 2.313 20 10 DECDMM Nc1cccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001215573679 801878644 /nfs/dbraw/zinc/87/86/44/801878644.db2.gz NKSZQNVWMIIARR-UHFFFAOYSA-N -1 1 300.286 2.053 20 10 DECDMM C[C@H]1CN(Cc2c([O-])cc(Br)cc2F)C[C@@H]1O ZINC001233028916 802006948 /nfs/dbraw/zinc/00/69/48/802006948.db2.gz VRHNGYUAPBLIRH-MADCSZMMSA-N -1 1 304.159 2.106 20 10 DECDMM CS(=O)(=O)[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418470 802111838 /nfs/dbraw/zinc/11/18/38/802111838.db2.gz IJOBJBIUYKOBOL-SNVBAGLBSA-N -1 1 323.336 2.030 20 10 DECDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@H]1C[C@@H](O)C1 ZINC001218432434 802181454 /nfs/dbraw/zinc/18/14/54/802181454.db2.gz SYUXZOQNXSWLQX-PHIMTYICSA-N -1 1 324.332 2.317 20 10 DECDMM O=C([O-])[C@@H](CC1CC1)[NH2+]Cc1c([O-])cccc1Br ZINC001330676095 1149252034 /nfs/dbraw/zinc/25/20/34/1149252034.db2.gz ZFAXKDSVWYYFHV-LLVKDONJSA-N -1 1 314.179 2.498 20 10 DECDMM C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C(=O)[O-] ZINC001589399075 954398465 /nfs/dbraw/zinc/39/84/65/954398465.db2.gz MJDHOGJEGUQWGI-WCQYABFASA-N -1 1 300.358 2.483 20 10 DECDMM C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C(=O)[O-] ZINC001589399075 954398473 /nfs/dbraw/zinc/39/84/73/954398473.db2.gz MJDHOGJEGUQWGI-WCQYABFASA-N -1 1 300.358 2.483 20 10 DECDMM C[C@@H](C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC000715778996 955118474 /nfs/dbraw/zinc/11/84/74/955118474.db2.gz LWLOBPWRWOETBA-ZETCQYMHSA-N -1 1 320.158 2.446 20 10 DECDMM COCC[N@H+](CCC(=O)[O-])Cc1c([O-])cc(C)cc1Cl ZINC001594011205 956998353 /nfs/dbraw/zinc/99/83/53/956998353.db2.gz RZZKBAKFBLTBAT-UHFFFAOYSA-N -1 1 301.770 2.277 20 10 DECDMM COCC[N@@H+](CCC(=O)[O-])Cc1c([O-])cc(C)cc1Cl ZINC001594011205 956998366 /nfs/dbraw/zinc/99/83/66/956998366.db2.gz RZZKBAKFBLTBAT-UHFFFAOYSA-N -1 1 301.770 2.277 20 10 DECDMM O=C([O-])[C@@H](CCF)[NH2+]Cc1c([O-])cccc1Br ZINC001331845066 1149720288 /nfs/dbraw/zinc/72/02/88/1149720288.db2.gz GYGFYFHLCBJGAE-SECBINFHSA-N -1 1 306.131 2.057 20 10 DECDMM CC[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001605025319 1070578600 /nfs/dbraw/zinc/57/86/00/1070578600.db2.gz UOXQAVYZHOASIR-LBPRGKRZSA-N -1 1 301.770 2.357 20 10 DECDMM CC[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])OC ZINC001605025319 1070578616 /nfs/dbraw/zinc/57/86/16/1070578616.db2.gz UOXQAVYZHOASIR-LBPRGKRZSA-N -1 1 301.770 2.357 20 10 DECDMM Cc1cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC001607641694 1071505676 /nfs/dbraw/zinc/50/56/76/1071505676.db2.gz NJVWADRBOAZFGO-NVXWUHKLSA-N -1 1 318.417 2.005 20 10 DECDMM CCc1n[nH]c(C(=O)NCc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC001457039623 1057938311 /nfs/dbraw/zinc/93/83/11/1057938311.db2.gz YFHCRZODKPGAGO-UHFFFAOYSA-N -1 1 324.724 2.169 20 10 DECDMM C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457039717 1057938952 /nfs/dbraw/zinc/93/89/52/1057938952.db2.gz ZVUHORCWWRMCFJ-SECBINFHSA-N -1 1 322.748 2.073 20 10 DECDMM O=C(NCCCc1ccc(O)cc1)c1c([O-])c(O)ccc1F ZINC001457648392 1058010206 /nfs/dbraw/zinc/01/02/06/1058010206.db2.gz WIRWTGLFUAQBHJ-UHFFFAOYSA-N -1 1 305.305 2.305 20 10 DECDMM COc1cccnc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001472316952 1060471732 /nfs/dbraw/zinc/47/17/32/1060471732.db2.gz ONVCOLYIAQHRJC-UHFFFAOYSA-N -1 1 306.749 2.308 20 10 DECDMM Cc1nnc([C@@H](C)NC(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001479600819 1061516874 /nfs/dbraw/zinc/51/68/74/1061516874.db2.gz LHMYUHFWKJSGCM-SSDOTTSWSA-N -1 1 310.741 2.297 20 10 DECDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1c([O-])c(O)ccc1F ZINC001648751679 1075008706 /nfs/dbraw/zinc/00/87/06/1075008706.db2.gz MEQSDMHCZFORLO-UHFFFAOYSA-N -1 1 320.276 2.118 20 10 DECDMM Nc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001558757106 1075104479 /nfs/dbraw/zinc/10/44/79/1075104479.db2.gz PJTQAZKSUXVLPV-UHFFFAOYSA-N -1 1 321.720 2.466 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1Cc2ccc(O)cc2N1 ZINC001580719042 1075982014 /nfs/dbraw/zinc/98/20/14/1075982014.db2.gz XWNOFBVNVZWZFQ-CQSZACIVSA-N -1 1 318.760 2.404 20 10 DECDMM Cc1cc([O-])c(C[NH2+]C2(CC(=O)[O-])CCOCC2)cc1Cl ZINC001600285558 1077176565 /nfs/dbraw/zinc/17/65/65/1077176565.db2.gz DTMGQYMVXKWBSC-UHFFFAOYSA-N -1 1 313.781 2.468 20 10 DECDMM Nc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])ccn1 ZINC001601212040 1077357866 /nfs/dbraw/zinc/35/78/66/1077357866.db2.gz DBIKENMHYFQGFD-UHFFFAOYSA-N -1 1 321.764 2.110 20 10 DECDMM Nc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])ccn1 ZINC001601212040 1077357872 /nfs/dbraw/zinc/35/78/72/1077357872.db2.gz DBIKENMHYFQGFD-UHFFFAOYSA-N -1 1 321.764 2.110 20 10 DECDMM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001602221752 1077529211 /nfs/dbraw/zinc/52/92/11/1077529211.db2.gz BOSZXSBIYYUJHV-CZMCAQCFSA-N -1 1 300.152 2.108 20 10 DECDMM Cc1cc(CO)cc(C)c1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001651237831 1079796918 /nfs/dbraw/zinc/79/69/18/1079796918.db2.gz BSDPMFXPCFPMJW-UHFFFAOYSA-N -1 1 319.332 2.276 20 10 DECDMM C[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(Br)c1[O-] ZINC001235296254 1084376187 /nfs/dbraw/zinc/37/61/87/1084376187.db2.gz HUFGYWHCVLHVRX-GMSGAONNSA-N -1 1 304.159 2.249 20 10 DECDMM CNC(=O)N[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803997 1138794722 /nfs/dbraw/zinc/79/47/22/1138794722.db2.gz XTWXBQPIWYZRNX-NSHDSACASA-N -1 1 315.776 2.078 20 10 DECDMM COC(=O)[C@@]1(F)CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935041 1138811276 /nfs/dbraw/zinc/81/12/76/1138811276.db2.gz PDTXXZKSRSHMGR-CYBMUJFWSA-N -1 1 305.708 2.272 20 10 DECDMM C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001305085178 1147365558 /nfs/dbraw/zinc/36/55/58/1147365558.db2.gz RLAZUMYNPNBLLH-VIFPVBQESA-N -1 1 322.748 2.073 20 10 DECDMM O=C(c1c([O-])c(O)ccc1F)N1CCc2ccc(O)cc2C1 ZINC001306362290 1147383390 /nfs/dbraw/zinc/38/33/90/1147383390.db2.gz OZYYKKGLUYBTLP-UHFFFAOYSA-N -1 1 303.289 2.141 20 10 DECDMM CO[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccc(F)cc1 ZINC001306661052 1147387777 /nfs/dbraw/zinc/38/77/77/1147387777.db2.gz RPCWTTWGXJXBCV-ZDUSSCGKSA-N -1 1 323.295 2.494 20 10 DECDMM C[C@]1(O)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000129456239 525306232 /nfs/dbraw/zinc/30/62/32/525306232.db2.gz CUJCEHBVOVSPNJ-ZDUSSCGKSA-N -1 1 300.742 2.301 20 10 DECDMM Cc1cc(Br)c([O-])c(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000820949335 597713526 /nfs/dbraw/zinc/71/35/26/597713526.db2.gz QIAVNNXFQUHJGO-UHFFFAOYSA-N -1 1 302.168 2.370 20 10 DECDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)CNC(=O)[O-])c1[O-] ZINC000823628902 603752157 /nfs/dbraw/zinc/75/21/57/603752157.db2.gz YOPCIKGGTOCMQA-MRVPVSSYSA-N -1 1 314.769 2.336 20 10 DECDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000080357584 604503227 /nfs/dbraw/zinc/50/32/27/604503227.db2.gz JPXSQCAVKKNESZ-UHFFFAOYSA-N -1 1 311.315 2.101 20 10 DECDMM COc1cc(CCC(=O)NCc2cccc(Cl)c2[O-])on1 ZINC000890761475 623200522 /nfs/dbraw/zinc/20/05/22/623200522.db2.gz SZFLEYVKOYPXQH-UHFFFAOYSA-N -1 1 310.737 2.291 20 10 DECDMM CCO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCOC1 ZINC000890762475 623202428 /nfs/dbraw/zinc/20/24/28/623202428.db2.gz DLNBKYORPWXEJZ-SMDDNHRTSA-N -1 1 313.781 2.103 20 10 DECDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(C2CC2)[nH]c1=O ZINC000890763594 623204141 /nfs/dbraw/zinc/20/41/41/623204141.db2.gz YULYYMDSHIBUSZ-UHFFFAOYSA-N -1 1 319.748 2.349 20 10 DECDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078005198 623567325 /nfs/dbraw/zinc/56/73/25/623567325.db2.gz BSKHVKYMDZSKHD-UHFFFAOYSA-N -1 1 308.315 2.410 20 10 DECDMM COC/C(C)=C/C(=O)NCc1cccc(Br)c1[O-] ZINC000846015880 623804874 /nfs/dbraw/zinc/80/48/74/623804874.db2.gz NZCFZVGPMPUFEU-RMKNXTFCSA-N -1 1 314.179 2.364 20 10 DECDMM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[C@H]1O ZINC000894498070 637070412 /nfs/dbraw/zinc/07/04/12/637070412.db2.gz SQHZEXZKZPYROO-PRHODGIISA-N -1 1 318.186 2.497 20 10 DECDMM Cc1cc(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950063 650393662 /nfs/dbraw/zinc/39/36/62/650393662.db2.gz IZOQHWKIBBUOCS-NSHDSACASA-N -1 1 317.838 2.221 20 10 DECDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898188670 641054808 /nfs/dbraw/zinc/05/48/08/641054808.db2.gz SQFUWMXQHAJPJD-VXGBXAGGSA-N -1 1 318.186 2.368 20 10 DECDMM O=C(COC(=O)c1cnc(C2CC2)s1)c1ccc([O-])c(O)c1 ZINC000783500988 643012667 /nfs/dbraw/zinc/01/26/67/643012667.db2.gz BXPNCVFFEOULHW-UHFFFAOYSA-N -1 1 319.338 2.471 20 10 DECDMM 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O=C(c1c([O-])c(O)ccc1F)N1CCOc2cccc(F)c2C1 ZINC001648739421 1075007652 /nfs/dbraw/zinc/00/76/52/1075007652.db2.gz LRWUSXVVADTRIZ-UHFFFAOYSA-N -1 1 321.279 2.411 20 10 DECDMM O=C1NCCN(Cc2cc(F)c(F)cc2[O-])[C@@H]1c1cccs1 ZINC001658854929 1080219697 /nfs/dbraw/zinc/21/96/97/1080219697.db2.gz RRXPRGDFUMFCQG-CQSZACIVSA-N -1 1 324.352 2.405 20 10 DECDMM O=C1CN(Cc2ccc(Cl)cc2[O-])CN1CC(F)(F)F ZINC001659683200 1080246447 /nfs/dbraw/zinc/24/64/47/1080246447.db2.gz AGFDFQDYBRQUPU-UHFFFAOYSA-N -1 1 308.687 2.210 20 10 DECDMM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1O ZINC001235058185 1084293383 /nfs/dbraw/zinc/29/33/83/1084293383.db2.gz YQXRKKWWIUOLKW-PELKAZGASA-N -1 1 318.186 2.497 20 10 DECDMM C[C@]1(O)CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235298381 1084377389 /nfs/dbraw/zinc/37/73/89/1084377389.db2.gz RXMKRXGFKATOLB-LBPRGKRZSA-N -1 1 304.159 2.251 20 10 DECDMM CN(C)C(=O)C1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795480 1138430557 /nfs/dbraw/zinc/43/05/57/1138430557.db2.gz FFGYGKWUKBPZJX-UHFFFAOYSA-N -1 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CCN(Cc1c([O-])cc(OC)cc1Cl)[C@@H](C)C(=O)OC ZINC001236806221 1138432986 /nfs/dbraw/zinc/43/29/86/1138432986.db2.gz QKGRHCVAAQJSHV-VIFPVBQESA-N -1 1 301.770 2.438 20 10 DECDMM Cc1cc(NCc2cccc(Br)c2[O-])nc(CO)n1 ZINC001324355907 1142061714 /nfs/dbraw/zinc/06/17/14/1142061714.db2.gz YCCHYYCBQIQDFI-UHFFFAOYSA-N -1 1 324.178 2.358 20 10 DECDMM O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000362045172 403920160 /nfs/dbraw/zinc/92/01/60/403920160.db2.gz KMEIBFRKSXIOQR-GFCCVEGCSA-N -1 1 309.797 2.035 20 10 DECDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccn1 ZINC000295577309 403996634 /nfs/dbraw/zinc/99/66/34/403996634.db2.gz VLTQTMVKWIVOTC-UHFFFAOYSA-N -1 1 304.321 2.340 20 10 DECDMM C[C@H]1COCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000370186064 300340038 /nfs/dbraw/zinc/34/00/38/300340038.db2.gz RYSJSQMPCVQGGU-SECBINFHSA-N -1 1 300.742 2.422 20 10 DECDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(C)=O)C[C@H]2C)c1[O-] ZINC000268630128 527207469 /nfs/dbraw/zinc/20/74/69/527207469.db2.gz 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CC(C)(O)C1CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894976544 637354456 /nfs/dbraw/zinc/35/44/56/637354456.db2.gz LBNDYABNMGYQQF-UHFFFAOYSA-N -1 1 318.186 2.497 20 10 DECDMM COCC[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728197539 639056454 /nfs/dbraw/zinc/05/64/54/639056454.db2.gz DLIUUFYRQSCCOK-UHFFFAOYSA-N -1 1 315.369 2.407 20 10 DECDMM COCC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728197539 639056456 /nfs/dbraw/zinc/05/64/56/639056456.db2.gz DLIUUFYRQSCCOK-UHFFFAOYSA-N -1 1 315.369 2.407 20 10 DECDMM COC(=O)[C@@H](C)Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000758414859 639957626 /nfs/dbraw/zinc/95/76/26/639957626.db2.gz DWAMYRSTWASVLY-XNYAHFKXSA-N -1 1 323.395 2.116 20 10 DECDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccncc1 ZINC000765318261 640765917 /nfs/dbraw/zinc/76/59/17/640765917.db2.gz IKDRGINDAIBZNJ-UHFFFAOYSA-N -1 1 322.162 2.293 20 10 DECDMM CCn1nccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765746990 640814701 /nfs/dbraw/zinc/81/47/01/640814701.db2.gz JAHUFMNOOUUGBG-UHFFFAOYSA-N -1 1 324.178 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ZINC000844939015 651185654 /nfs/dbraw/zinc/18/56/54/651185654.db2.gz YGNPQWHKYUORKV-JTQLQIEISA-N -1 1 302.168 2.450 20 10 DECDMM C[C@@H](Cc1ccco1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000850058572 651815734 /nfs/dbraw/zinc/81/57/34/651815734.db2.gz CEIAGGYETDSLRO-JTQLQIEISA-N -1 1 304.298 2.296 20 10 DECDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cs1 ZINC000120305481 684094729 /nfs/dbraw/zinc/09/47/29/684094729.db2.gz AOFYKSMWLWTSRU-UHFFFAOYSA-N -1 1 318.307 2.302 20 10 DECDMM