smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)cc(CN2CCN3CCOC[C@H]3C2)c1[O-] ZINC000371887313 250215076 /nfs/dbraw/zinc/21/50/76/250215076.db2.gz FKOUCMACVFDPFY-CQSZACIVSA-N -1 3 341.249 1.980 20 10 EDCDHM CCCOc1ccc(CN2CC(n3cc([C@H](C)O)nn3)C2)c([O-])c1 ZINC000374806261 250273029 /nfs/dbraw/zinc/27/30/29/250273029.db2.gz LHYLHPLSZQKOJG-LBPRGKRZSA-N -1 3 332.404 1.883 20 10 EDCDHM O=S(=O)([C@H]1CCN(Cc2cccc(F)c2[O-])C1)N1CCCC1 ZINC000374902873 250276003 /nfs/dbraw/zinc/27/60/03/250276003.db2.gz YVRSMRCRVNSXCM-ZDUSSCGKSA-N -1 3 328.409 1.531 20 10 EDCDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000175575164 279234305 /nfs/dbraw/zinc/23/43/05/279234305.db2.gz HTAVDKYHCGVBLP-CYBMUJFWSA-N -1 3 329.393 1.743 20 10 EDCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(C)(C)O1 ZINC000065620351 441472007 /nfs/dbraw/zinc/47/20/07/441472007.db2.gz CMXWPRUPVKSFDP-SNVBAGLBSA-N -1 3 342.417 1.403 20 10 EDCDHM Cc1ccc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c([O-])c1O ZINC000177676590 442369606 /nfs/dbraw/zinc/36/96/06/442369606.db2.gz SWUQIQMYHUWLFD-CYBMUJFWSA-N -1 3 334.416 1.732 20 10 EDCDHM NC(=O)[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000183029355 442867031 /nfs/dbraw/zinc/86/70/31/442867031.db2.gz UNYKRQLOASPNNB-SFHVURJKSA-N -1 3 342.395 1.657 20 10 EDCDHM Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1O ZINC000272770831 443438658 /nfs/dbraw/zinc/43/86/58/443438658.db2.gz SHIUISONQDTSIG-TZMCWYRMSA-N -1 3 347.367 1.964 20 10 EDCDHM COCCO[C@H]1C[C@H](CO)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000278711742 443410040 /nfs/dbraw/zinc/41/00/40/443410040.db2.gz OMRGCCIBZKDHNM-JSGCOSHPSA-N -1 3 329.824 1.891 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](CO)CC2)c1 ZINC000270337206 443467148 /nfs/dbraw/zinc/46/71/48/443467148.db2.gz MZRNUKJUOPBNBK-XYPYZODXSA-N -1 3 342.417 1.045 20 10 EDCDHM CN1CCC[C@H]1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271186224 443494973 /nfs/dbraw/zinc/49/49/73/443494973.db2.gz NGXJVIBWSYGVBQ-HNNXBMFYSA-N -1 3 337.851 1.784 20 10 EDCDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273464459 443575973 /nfs/dbraw/zinc/57/59/73/443575973.db2.gz IRWWEKYCNPBSRJ-QWRGUYRKSA-N -1 3 329.418 1.653 20 10 EDCDHM CCN1CCN(C[C@@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276672488 443786284 /nfs/dbraw/zinc/78/62/84/443786284.db2.gz ZLIPSYMDHMDESA-LBPRGKRZSA-N -1 3 339.411 1.240 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cncn1C ZINC000291795993 443767857 /nfs/dbraw/zinc/76/78/57/443767857.db2.gz YWEYJJVMFVXNCO-UHFFFAOYSA-N -1 3 337.763 1.595 20 10 EDCDHM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000281851524 444022770 /nfs/dbraw/zinc/02/27/70/444022770.db2.gz ZCMIQSKZJDHSJV-KRWDZBQOSA-N -1 3 337.372 1.530 20 10 EDCDHM CCCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278248886 444122557 /nfs/dbraw/zinc/12/25/57/444122557.db2.gz OVGVTTLMGBMGGW-UHFFFAOYSA-N -1 3 325.365 1.609 20 10 EDCDHM COc1c([O-])c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000364588745 445934408 /nfs/dbraw/zinc/93/44/08/445934408.db2.gz LTMAIKLRMVUWAA-UFGOTCBOSA-N -1 3 335.360 1.395 20 10 EDCDHM O=C(N[C@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(O)c1[O-] ZINC000366170928 446058553 /nfs/dbraw/zinc/05/85/53/446058553.db2.gz LPIZDDSGSIEXRH-LBPRGKRZSA-N -1 3 327.340 1.137 20 10 EDCDHM Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(O)c3[O-])C2)n(C)n1 ZINC000369331084 446079101 /nfs/dbraw/zinc/07/91/01/446079101.db2.gz NWODEIAHJCICAM-GFCCVEGCSA-N -1 3 330.388 1.539 20 10 EDCDHM O=C1NC(=O)[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)N1 ZINC000370338945 446235865 /nfs/dbraw/zinc/23/58/65/446235865.db2.gz FLZRUEXDTHRJEF-ZDUSSCGKSA-N -1 3 330.171 1.483 20 10 EDCDHM O=C1CO[C@H]2CCN(Cc3cc(Br)ccc3[O-])C[C@H]2N1 ZINC000377222872 447004579 /nfs/dbraw/zinc/00/45/79/447004579.db2.gz NQBHKQVIZFALDV-YPMHNXCESA-N -1 3 341.205 1.244 20 10 EDCDHM O=C(Nc1nncs1)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731870928 578681761 /nfs/dbraw/zinc/68/17/61/578681761.db2.gz RWQIPJPXSYWQBH-UHFFFAOYSA-N -1 3 338.414 1.796 20 10 EDCDHM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1cc([O-])cs1 ZINC000732265916 578700795 /nfs/dbraw/zinc/70/07/95/578700795.db2.gz MJBQZWRKWKUWRX-UHFFFAOYSA-N -1 3 346.408 1.856 20 10 EDCDHM COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000765719220 580149964 /nfs/dbraw/zinc/14/99/64/580149964.db2.gz SLYAEQRDXRMGEX-CYBMUJFWSA-N -1 3 333.315 1.924 20 10 EDCDHM O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cc([O-])cs1 ZINC000765864513 580152746 /nfs/dbraw/zinc/15/27/46/580152746.db2.gz CQWWCFQBUFIIJG-UHFFFAOYSA-N -1 3 337.376 1.754 20 10 EDCDHM CCOc1ccc(CN2CCN(CC(=O)N(CC)CC)CC2)c([O-])c1 ZINC000768214953 580209087 /nfs/dbraw/zinc/20/90/87/580209087.db2.gz JJJQARQOPHJZIV-UHFFFAOYSA-N -1 3 349.475 1.777 20 10 EDCDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1O ZINC000769363593 580234643 /nfs/dbraw/zinc/23/46/43/580234643.db2.gz VXOQEDPGMFURLG-JTQLQIEISA-N -1 3 340.426 1.437 20 10 EDCDHM COCCC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769937001 580249024 /nfs/dbraw/zinc/24/90/24/580249024.db2.gz KVGZFURFYFCMHN-UHFFFAOYSA-N -1 3 330.406 1.309 20 10 EDCDHM Nc1nsc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000770306132 580257831 /nfs/dbraw/zinc/25/78/31/580257831.db2.gz WLQWUGZNELQFHA-UHFFFAOYSA-N -1 3 325.825 1.802 20 10 EDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCN1c1nccn2cnnc12 ZINC000771657568 580291820 /nfs/dbraw/zinc/29/18/20/580291820.db2.gz CVATVGWQUDEXJH-SNVBAGLBSA-N -1 3 344.400 1.242 20 10 EDCDHM COC1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000775205346 580385563 /nfs/dbraw/zinc/38/55/63/580385563.db2.gz RYXWVAJEYNTHSB-UHFFFAOYSA-N -1 3 330.768 1.927 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000779514782 580487616 /nfs/dbraw/zinc/48/76/16/580487616.db2.gz NIEYAGBBKNCDCS-YWEYNIOJSA-N -1 3 337.339 1.608 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000779514782 580487617 /nfs/dbraw/zinc/48/76/17/580487617.db2.gz NIEYAGBBKNCDCS-YWEYNIOJSA-N -1 3 337.339 1.608 20 10 EDCDHM COc1cc(Br)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1[O-] ZINC000783742318 580605083 /nfs/dbraw/zinc/60/50/83/580605083.db2.gz OAGWXXFSCNSVHH-IINYFYTJSA-N -1 3 328.206 1.978 20 10 EDCDHM COc1cc([N+](=O)[O-])c(N2CCc3c(nc[n-]c3=O)C2)cc1OC ZINC000784172718 580614754 /nfs/dbraw/zinc/61/47/54/580614754.db2.gz VRASPQQKCJHMDM-UHFFFAOYSA-N -1 3 332.316 1.670 20 10 EDCDHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])Cc1cccc(F)c1 ZINC000790657428 580775116 /nfs/dbraw/zinc/77/51/16/580775116.db2.gz GJMOCNMMPMFKIQ-GFCCVEGCSA-N -1 3 347.342 1.999 20 10 EDCDHM CS(=O)(=O)CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790899037 580780941 /nfs/dbraw/zinc/78/09/41/580780941.db2.gz HANLHFSMNIFRCW-UHFFFAOYSA-N -1 3 335.381 1.937 20 10 EDCDHM CC[C@H](C(=O)NCc1cc(Br)ccc1[O-])C(=O)OC ZINC000804737567 590756651 /nfs/dbraw/zinc/75/66/51/590756651.db2.gz SZNCAZNFZGJJCU-SNVBAGLBSA-N -1 3 330.178 1.970 20 10 EDCDHM COCCN1CCC[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892944267 591234476 /nfs/dbraw/zinc/23/44/76/591234476.db2.gz OFDXAUXDQNPJCE-ZDUSSCGKSA-N -1 3 341.839 1.956 20 10 EDCDHM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc([O-])cs2)C1 ZINC000888126601 591388321 /nfs/dbraw/zinc/38/83/21/591388321.db2.gz IFNFWDLBNHEWCO-OAHLLOKOSA-N -1 3 342.417 1.555 20 10 EDCDHM CN(C[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1)S(C)(=O)=O ZINC000894740143 591404344 /nfs/dbraw/zinc/40/43/44/591404344.db2.gz PIUJPWNJYMXZLN-LLVKDONJSA-N -1 3 348.415 1.774 20 10 EDCDHM [O-]c1cccc(Br)c1CN1CCn2nnc(CO)c2C1 ZINC000894809562 591425025 /nfs/dbraw/zinc/42/50/25/591425025.db2.gz OWEIISGJDWNSNM-UHFFFAOYSA-N -1 3 339.193 1.254 20 10 EDCDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(C)n1-c1ccccn1 ZINC000898730912 591492978 /nfs/dbraw/zinc/49/29/78/591492978.db2.gz LWANVBZSJQWFMX-AWEZNQCLSA-N -1 3 339.399 1.731 20 10 EDCDHM CC(=O)N1CC[C@H](CNC(=O)c2cc3cc(O)c([O-])cc3s2)C1 ZINC000897779884 591665231 /nfs/dbraw/zinc/66/52/31/591665231.db2.gz UCZHWGUDRBVMRM-SNVBAGLBSA-N -1 3 334.397 1.911 20 10 EDCDHM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cc2cc(O)c([O-])cc2s1 ZINC000897905410 591715472 /nfs/dbraw/zinc/71/54/72/591715472.db2.gz MVKVAQUFHDUEEC-TXEJJXNPSA-N -1 3 348.424 1.906 20 10 EDCDHM NS(=O)(=O)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000897058736 591727098 /nfs/dbraw/zinc/72/70/98/591727098.db2.gz RLJQKYHPZRHVHY-QMMMGPOBSA-N -1 3 339.244 1.809 20 10 EDCDHM O=C(N[C@H](CO)[C@@H]1CCCOC1)c1cc2cc(O)c([O-])cc2s1 ZINC000897975087 591728291 /nfs/dbraw/zinc/72/82/91/591728291.db2.gz BADNPPPXRHVJTM-MWLCHTKSSA-N -1 3 337.397 1.830 20 10 EDCDHM CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2c([O-])cc(C)cc2Cl)C1 ZINC000898350473 591882785 /nfs/dbraw/zinc/88/27/85/591882785.db2.gz IUBMCMAJEORFBZ-FZMZJTMJSA-N -1 3 342.823 1.893 20 10 EDCDHM [O-]c1cc2c(cc1CN1CCN(c3cccc(F)n3)CC1)[C@@H](O)CO2 ZINC000840122074 593209590 /nfs/dbraw/zinc/20/95/90/593209590.db2.gz FZUQQLUCGRYBTR-HNNXBMFYSA-N -1 3 345.374 1.674 20 10 EDCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)[C@H]2CCOC[C@@H]21 ZINC000839187881 593273040 /nfs/dbraw/zinc/27/30/40/593273040.db2.gz YRCUOLAQIKCPPT-WMZOPIPTSA-N -1 3 347.436 1.933 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)COC(F)F ZINC000803031068 593298725 /nfs/dbraw/zinc/29/87/25/593298725.db2.gz JWWHKAFRTVXQCE-UHFFFAOYSA-N -1 3 337.706 1.786 20 10 EDCDHM COc1c([O-])c(CN[C@H](C)C2(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000809703852 593356074 /nfs/dbraw/zinc/35/60/74/593356074.db2.gz QRYYIUJMHSDVSW-SECBINFHSA-N -1 3 344.389 1.364 20 10 EDCDHM Cn1cnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000810631115 593418634 /nfs/dbraw/zinc/41/86/34/593418634.db2.gz FGPUEIIKMLFHSB-CYBMUJFWSA-N -1 3 349.822 1.569 20 10 EDCDHM C[C@H](C[S@](C)=O)NC(=O)NCc1cc(Br)ccc1[O-] ZINC000805280075 593429871 /nfs/dbraw/zinc/42/98/71/593429871.db2.gz YINNLDHYUAUWSL-YLVJLNSGSA-N -1 3 349.250 1.721 20 10 EDCDHM O=C(c1cc([O-])cs1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823445860 594203126 /nfs/dbraw/zinc/20/31/26/594203126.db2.gz KSZVWQXRZHIGQI-JQWIXIFHSA-N -1 3 345.442 1.262 20 10 EDCDHM CCOC(=O)CN(CC(=O)N(C)CC1CC1)Cc1ccccc1[O-] ZINC000823575751 594218542 /nfs/dbraw/zinc/21/85/42/594218542.db2.gz AJSRXUZKKOWUHE-UHFFFAOYSA-N -1 3 334.416 1.626 20 10 EDCDHM COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000830885862 594505354 /nfs/dbraw/zinc/50/53/54/594505354.db2.gz GMZXKPPPCPBVGR-YPMHNXCESA-N -1 3 325.336 1.090 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000832462483 594752196 /nfs/dbraw/zinc/75/21/96/594752196.db2.gz GIFVDEZULHBKQA-LSDHHAIUSA-N -1 3 341.404 1.885 20 10 EDCDHM CCO[C@@H]1C[C@@](NC(=O)c2cc([O-])cs2)(C(=O)OC)C1(C)C ZINC000832671345 594768134 /nfs/dbraw/zinc/76/81/34/594768134.db2.gz HGLULUKKEUJFJL-IAQYHMDHSA-N -1 3 327.402 1.930 20 10 EDCDHM Cc1nc(CC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000834475690 595135199 /nfs/dbraw/zinc/13/51/99/595135199.db2.gz AIXBTTKPWHTOGC-UHFFFAOYSA-N -1 3 325.166 1.440 20 10 EDCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000867408904 595187662 /nfs/dbraw/zinc/18/76/62/595187662.db2.gz DNJPUVTVUICRBC-GFCCVEGCSA-N -1 3 337.449 1.099 20 10 EDCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000834912520 595238669 /nfs/dbraw/zinc/23/86/69/595238669.db2.gz DAZLVCZIPZQVPW-LNSITVRQSA-N -1 3 332.400 1.983 20 10 EDCDHM COc1c([O-])c(CN[C@H]2C[C@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000835073564 595257327 /nfs/dbraw/zinc/25/73/27/595257327.db2.gz NJYNENGIHDVSJI-NEPJUHHUSA-N -1 3 335.360 1.552 20 10 EDCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844097623 595271695 /nfs/dbraw/zinc/27/16/95/595271695.db2.gz RPCZSCHXBMTRGS-CYBMUJFWSA-N -1 3 332.278 1.238 20 10 EDCDHM O=C(NCCN1CCSCC1)NCc1cc(Cl)ccc1[O-] ZINC000844970323 595421300 /nfs/dbraw/zinc/42/13/00/595421300.db2.gz NLMDICDVKRVCPG-UHFFFAOYSA-N -1 3 329.853 1.894 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000848926092 595468518 /nfs/dbraw/zinc/46/85/18/595468518.db2.gz LDTZGMAMQDOQAS-QWHCGFSZSA-N -1 3 341.249 1.714 20 10 EDCDHM CN(C)c1ccc([C@H](N)CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000849364005 595512415 /nfs/dbraw/zinc/51/24/15/595512415.db2.gz AZFFWQSMWBHHMK-CRAIPNDOSA-N -1 3 331.416 1.680 20 10 EDCDHM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000855331134 595673064 /nfs/dbraw/zinc/67/30/64/595673064.db2.gz OKIXAFLGQRVGQY-BDAKNGLRSA-N -1 3 347.289 1.911 20 10 EDCDHM Cc1ccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)c([O-])c1O ZINC000854341213 596042586 /nfs/dbraw/zinc/04/25/86/596042586.db2.gz WZZBZOSSKQHENE-UHFFFAOYSA-N -1 3 345.403 1.610 20 10 EDCDHM CN(C)c1cnn(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000854655295 596152028 /nfs/dbraw/zinc/15/20/28/596152028.db2.gz VZOBJRGIJLEGSX-UHFFFAOYSA-N -1 3 330.388 1.838 20 10 EDCDHM C[C@H](C(=O)NCc1ccc2cccnc2c1[O-])[C@@H](C)S(C)(=O)=O ZINC000862025793 596186035 /nfs/dbraw/zinc/18/60/35/596186035.db2.gz BAJYBYWYOAVFLL-WDEREUQCSA-N -1 3 336.413 1.626 20 10 EDCDHM COc1cc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)ccc1O ZINC000872370797 596896135 /nfs/dbraw/zinc/89/61/35/596896135.db2.gz FOYQUBJMPCZXIO-HNNXBMFYSA-N -1 3 345.417 1.727 20 10 EDCDHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000874051942 596908551 /nfs/dbraw/zinc/90/85/51/596908551.db2.gz WRZYMPJGLDASAA-WCQYABFASA-N -1 3 333.363 1.955 20 10 EDCDHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000874051942 596908553 /nfs/dbraw/zinc/90/85/53/596908553.db2.gz WRZYMPJGLDASAA-WCQYABFASA-N -1 3 333.363 1.955 20 10 EDCDHM Cn1nccc1[C@@H](CO)NCc1cc(Br)cc(F)c1[O-] ZINC000883144204 597665916 /nfs/dbraw/zinc/66/59/16/597665916.db2.gz IEZPUDKKGMRCDU-LLVKDONJSA-N -1 3 344.184 1.851 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1[O-] ZINC000879934177 597772835 /nfs/dbraw/zinc/77/28/35/597772835.db2.gz YQYODIJINHWEQH-DGCLKSJQSA-N -1 3 341.404 1.600 20 10 EDCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1COC2(CCOCC2)O1 ZINC000921826519 708111217 /nfs/dbraw/zinc/11/12/17/708111217.db2.gz SMXYFNQFLUHGBL-NSHDSACASA-N -1 3 340.351 1.253 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ZINC000848710868 595433988 /nfs/dbraw/zinc/43/39/88/595433988.db2.gz GWFAHVBPNRMXSG-UHFFFAOYSA-N -1 3 347.419 1.439 20 10 EDCDHM CCOC(=O)COCCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000845231567 595465505 /nfs/dbraw/zinc/46/55/05/595465505.db2.gz GQTLOFNLKSHWKZ-UHFFFAOYSA-N -1 3 330.768 1.425 20 10 EDCDHM NC(=O)c1cccc2c1CCN(Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000853621733 595835956 /nfs/dbraw/zinc/83/59/56/595835956.db2.gz GSNDCSYHNMHSTR-QGZVFWFLSA-N -1 3 340.379 1.475 20 10 EDCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858603989 595840362 /nfs/dbraw/zinc/84/03/62/595840362.db2.gz YYTKXUSAMAHWID-ABAIWWIYSA-N -1 3 332.400 1.983 20 10 EDCDHM CCOC(=O)[C@@H](CC(=O)NCc1ccc2cccnc2c1[O-])C(C)=O ZINC000862026516 596186040 /nfs/dbraw/zinc/18/60/40/596186040.db2.gz QXOIJXPDEHFQIB-AWEZNQCLSA-N -1 3 344.367 1.715 20 10 EDCDHM CC(C)(C)OC(=O)NCC1(NC(=O)c2cc([O-])cs2)COC1 ZINC000862299743 596299473 /nfs/dbraw/zinc/29/94/73/596299473.db2.gz CWOITZSOFPUEFS-UHFFFAOYSA-N -1 3 328.390 1.477 20 10 EDCDHM CNC(=O)NC[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000863287440 596538887 /nfs/dbraw/zinc/53/88/87/596538887.db2.gz SIJUEUMBRZOMNQ-ZDUSSCGKSA-N -1 3 330.388 1.070 20 10 EDCDHM CC[C@H](NCc1nnc2n1CCNC2=O)c1cc(Cl)ccc1[O-] ZINC000883303699 597708285 /nfs/dbraw/zinc/70/82/85/597708285.db2.gz DITSFKPBHFGRQJ-NSHDSACASA-N -1 3 335.795 1.621 20 10 EDCDHM CN(Cc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000700945813 708416242 /nfs/dbraw/zinc/41/62/42/708416242.db2.gz UDXUCPHVGOAWRL-LLVKDONJSA-N -1 3 334.235 1.774 20 10 EDCDHM CCC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000373923534 250247794 /nfs/dbraw/zinc/24/77/94/250247794.db2.gz OMSWMBLAFSCIRV-UHFFFAOYSA-N -1 3 337.376 1.753 20 10 EDCDHM C[C@H]1CCOCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000375003615 250276893 /nfs/dbraw/zinc/27/68/93/250276893.db2.gz HHDQCHHASNRZPL-JTQLQIEISA-N -1 3 328.390 1.015 20 10 EDCDHM CCOCCNC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000084694378 441414044 /nfs/dbraw/zinc/41/40/44/441414044.db2.gz 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COC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)[n-]1 ZINC000293273741 443969351 /nfs/dbraw/zinc/96/93/51/443969351.db2.gz BDWRFZCUPMLELK-UHFFFAOYSA-N -1 3 329.356 1.907 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](O)(c3nc(C)no3)C2)c1[O-] ZINC000277407909 443982234 /nfs/dbraw/zinc/98/22/34/443982234.db2.gz LMECQZQIOMVXDP-INIZCTEOSA-N -1 3 335.335 1.519 20 10 EDCDHM COCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000281922627 444040336 /nfs/dbraw/zinc/04/03/36/444040336.db2.gz ANZVVWSKWJMPPC-UHFFFAOYSA-N -1 3 342.417 1.310 20 10 EDCDHM Cc1ccc(C(=O)NC2CCN(c3cccnn3)CC2)c([O-])c1O ZINC000277656304 444018376 /nfs/dbraw/zinc/01/83/76/444018376.db2.gz UYIQDZXDSMEDQG-UHFFFAOYSA-N -1 3 328.372 1.595 20 10 EDCDHM CS(=O)(=O)N1CCC[C@H](NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000294250419 444107096 /nfs/dbraw/zinc/10/70/96/444107096.db2.gz NHSRAMPWTBAQBU-JTQLQIEISA-N -1 3 336.816 1.698 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000366154231 446046134 /nfs/dbraw/zinc/04/61/34/446046134.db2.gz 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330.319 1.869 20 10 EDCDHM COc1ccc(N2CCN(CCNc3cc(=O)[n-]cn3)CC2)cc1 ZINC000892083814 590791216 /nfs/dbraw/zinc/79/12/16/590791216.db2.gz KGKCMDRWUWVHNN-UHFFFAOYSA-N -1 3 329.404 1.425 20 10 EDCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(O)(COCCO)CC1 ZINC000895829589 591284258 /nfs/dbraw/zinc/28/42/58/591284258.db2.gz LTGFNUQVEZAAJH-UHFFFAOYSA-N -1 3 333.787 1.521 20 10 EDCDHM O=C(c1cc2cc(O)c([O-])cc2s1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000898673882 591471006 /nfs/dbraw/zinc/47/10/06/591471006.db2.gz YWNAHSXIJLVQLX-SNVBAGLBSA-N -1 3 348.380 1.979 20 10 EDCDHM CCOC(=O)N1C[C@H](NCc2c([O-])ccc(Cl)c2F)[C@@H](CO)C1 ZINC000898354961 591886303 /nfs/dbraw/zinc/88/63/03/591886303.db2.gz WOYILZJCMZMEDY-SKDRFNHKSA-N -1 3 346.786 1.724 20 10 EDCDHM CN(Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)CN1CCOCC1 ZINC000816514201 593528809 /nfs/dbraw/zinc/52/88/09/593528809.db2.gz PLWLIOJWZFCXFP-LBPRGKRZSA-N -1 3 332.803 1.310 20 10 EDCDHM COC(OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000821064843 593957283 /nfs/dbraw/zinc/95/72/83/593957283.db2.gz IGQOVJXHLDOJQW-CYBMUJFWSA-N -1 3 342.823 1.745 20 10 EDCDHM C[C@@H]1OCC[C@H]1N(CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825130036 594134147 /nfs/dbraw/zinc/13/41/47/594134147.db2.gz KUBRIXLDDRLKPB-JOYOIKCWSA-N -1 3 330.768 1.926 20 10 EDCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000826248479 594398116 /nfs/dbraw/zinc/39/81/16/594398116.db2.gz KYHKMPZFUATFLP-UHFFFAOYSA-N -1 3 339.355 1.559 20 10 EDCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000826248479 594398119 /nfs/dbraw/zinc/39/81/19/594398119.db2.gz KYHKMPZFUATFLP-UHFFFAOYSA-N -1 3 339.355 1.559 20 10 EDCDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1ccc(O)c(O)c1 ZINC000826401537 594461356 /nfs/dbraw/zinc/46/13/56/594461356.db2.gz BIPUTFITNAMNQR-VURMDHGXSA-N -1 3 337.339 1.608 20 10 EDCDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1ccc(O)c(O)c1 ZINC000826401537 594461357 /nfs/dbraw/zinc/46/13/57/594461357.db2.gz BIPUTFITNAMNQR-VURMDHGXSA-N -1 3 337.339 1.608 20 10 EDCDHM O=C(NCCCSc1nccs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826437074 594476238 /nfs/dbraw/zinc/47/62/38/594476238.db2.gz VDEQYYUMWBDADR-UHFFFAOYSA-N -1 3 335.418 1.564 20 10 EDCDHM O=C(NCCCSc1nccs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826437074 594476239 /nfs/dbraw/zinc/47/62/39/594476239.db2.gz VDEQYYUMWBDADR-UHFFFAOYSA-N -1 3 335.418 1.564 20 10 EDCDHM COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000830885859 594505064 /nfs/dbraw/zinc/50/50/64/594505064.db2.gz GMZXKPPPCPBVGR-AAEUAGOBSA-N -1 3 325.336 1.090 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2OC3CCC2CC3)c1 ZINC000831509313 594679716 /nfs/dbraw/zinc/67/97/16/594679716.db2.gz GSSZWNMGWGYNNJ-UHFFFAOYSA-N -1 3 326.374 1.462 20 10 EDCDHM CNS(=O)(=O)C[C@H]1CCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840919087 594827991 /nfs/dbraw/zinc/82/79/91/594827991.db2.gz SZRUUZYJAQSVQQ-LLVKDONJSA-N -1 3 332.853 1.868 20 10 EDCDHM CCN1C(=O)[C@H]2CN(Cc3c([O-])cc(C)cc3Cl)CCN2C1=O ZINC000840922110 594828211 /nfs/dbraw/zinc/82/82/11/594828211.db2.gz 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C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000826126891 594338474 /nfs/dbraw/zinc/33/84/74/594338474.db2.gz QMVLPBLVNWWESU-ONGXEEELSA-N -1 3 338.360 1.714 20 10 EDCDHM Cc1cc([O-])c(CNCCS(=O)(=O)N2CCOCC2)c(Cl)c1 ZINC000840889918 594823591 /nfs/dbraw/zinc/82/35/91/594823591.db2.gz JLRYUNRYQKVVRC-UHFFFAOYSA-N -1 3 348.852 1.106 20 10 EDCDHM CN(C)c1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000104136369 594843383 /nfs/dbraw/zinc/84/33/83/594843383.db2.gz YVGVLRAFRHVBFH-UHFFFAOYSA-N -1 3 337.379 1.908 20 10 EDCDHM COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000833733177 594918419 /nfs/dbraw/zinc/91/84/19/594918419.db2.gz BLLMYLBKINFING-LLVKDONJSA-N -1 3 336.388 1.375 20 10 EDCDHM CCN(CC)c1ccc(CNCCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000841815950 594957351 /nfs/dbraw/zinc/95/73/51/594957351.db2.gz HXQYBKDPWFAMSR-HNNXBMFYSA-N -1 3 333.432 1.556 20 10 EDCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c([O-])c1O ZINC000836976132 595019509 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Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)c([O-])c1O ZINC000848143016 595328014 /nfs/dbraw/zinc/32/80/14/595328014.db2.gz RSGBXBXOPYJDJL-OCCSQVGLSA-N -1 3 331.372 1.790 20 10 EDCDHM CC(C)(CNC(=O)NCc1cc(Cl)ccc1[O-])NS(C)(=O)=O ZINC000844969134 595421061 /nfs/dbraw/zinc/42/10/61/595421061.db2.gz ABCAEJPZIBNREN-UHFFFAOYSA-N -1 3 349.840 1.173 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CNC(=O)C1 ZINC000851840350 595943408 /nfs/dbraw/zinc/94/34/08/595943408.db2.gz DICPEIOHPXZBEN-JTQLQIEISA-N -1 3 326.780 1.157 20 10 EDCDHM O=C(NCc1cc(Br)ccc1[O-])[C@@H]1CCOC(=O)N1 ZINC000861687404 596068424 /nfs/dbraw/zinc/06/84/24/596068424.db2.gz OHDXZHRDLLWJIF-VIFPVBQESA-N -1 3 329.150 1.269 20 10 EDCDHM CCOC(=O)CN(CC(=O)Nc1cnccn1)Cc1ccccc1[O-] ZINC000852192439 596080733 /nfs/dbraw/zinc/08/07/33/596080733.db2.gz QUDPVQIAZUHPLH-UHFFFAOYSA-N -1 3 344.371 1.186 20 10 EDCDHM COC(=O)[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)O1 ZINC000862487234 596335517 /nfs/dbraw/zinc/33/55/17/596335517.db2.gz MQCDDCIKBCHBPM-RNCFNFMXSA-N -1 3 344.205 1.917 20 10 EDCDHM NC(=O)C[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862534385 596341242 /nfs/dbraw/zinc/34/12/42/596341242.db2.gz AOIQYIWKNYAVKO-SECBINFHSA-N -1 3 329.194 1.231 20 10 EDCDHM CC(=O)c1cc(F)cc(CN(C)CC(C)(C)S(C)(=O)=O)c1[O-] ZINC000123812857 596719171 /nfs/dbraw/zinc/71/91/71/596719171.db2.gz YGIWFCFTZMXQJR-UHFFFAOYSA-N -1 3 331.409 1.989 20 10 EDCDHM COCn1nc(C)c(S(=O)(=O)NCc2c([O-])cccc2F)c1C ZINC000921452163 697619037 /nfs/dbraw/zinc/61/90/37/697619037.db2.gz GCDFYYRIGBJEKL-UHFFFAOYSA-N -1 3 343.380 1.427 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186749849 712342753 /nfs/dbraw/zinc/34/27/53/712342753.db2.gz USZOQWJESSEDCD-UHFFFAOYSA-N -1 3 343.339 1.968 20 10 EDCDHM Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c([O-])c1O ZINC000267601106 249367174 /nfs/dbraw/zinc/36/71/74/249367174.db2.gz PDCBIIJQNPDUTH-AWEZNQCLSA-N -1 3 349.431 1.079 20 10 EDCDHM COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000272766494 249474576 /nfs/dbraw/zinc/47/45/76/249474576.db2.gz RGDAGVGHKKQTES-OAHLLOKOSA-N -1 3 347.367 1.887 20 10 EDCDHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cccc(F)c1[O-] ZINC000361053105 250169770 /nfs/dbraw/zinc/16/97/70/250169770.db2.gz PYQDPYDZCXKAMA-GOEBONIOSA-N -1 3 337.439 1.368 20 10 EDCDHM C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N(C)Cc1ccccc1[O-] ZINC000111235666 533228005 /nfs/dbraw/zinc/22/80/05/533228005.db2.gz ADGOZNBFVNWGFV-VIFPVBQESA-N -1 3 333.310 1.601 20 10 EDCDHM CO[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000378630928 447448479 /nfs/dbraw/zinc/44/84/79/447448479.db2.gz IJZMFOUPZNPWOA-LBPRGKRZSA-N -1 3 342.417 1.405 20 10 EDCDHM O=C1NC[C@H]2CN(Cc3cc(Br)ccc3[O-])CCN12 ZINC000156065101 442445089 /nfs/dbraw/zinc/44/50/89/442445089.db2.gz MJTHHGSZSIJKLB-NSHDSACASA-N -1 3 326.194 1.364 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCN(CCOc2ccccc2)CC1 ZINC000186781123 442609815 /nfs/dbraw/zinc/60/98/15/442609815.db2.gz PEMOUYGJSUODFS-UHFFFAOYSA-N -1 3 342.395 1.935 20 10 EDCDHM COC(=O)CN(CC(=O)N1CCC1)Cc1cc(Cl)ccc1[O-] ZINC000264615981 443348579 /nfs/dbraw/zinc/34/85/79/443348579.db2.gz PHDMYLWIZKLICS-UHFFFAOYSA-N -1 3 326.780 1.253 20 10 EDCDHM CCOCCN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000270789794 443481127 /nfs/dbraw/zinc/48/11/27/443481127.db2.gz RCGDFAQFEAVCHA-UHFFFAOYSA-N -1 3 330.406 1.262 20 10 EDCDHM CCO[C@H]1C[C@](NC(=O)c2cccc(O)c2[O-])(C(=O)OC)C1(C)C ZINC000275530200 443630780 /nfs/dbraw/zinc/63/07/80/443630780.db2.gz FNNXQQLOTSRUAV-SJCJKPOMSA-N -1 3 337.372 1.574 20 10 EDCDHM COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000275547432 443631910 /nfs/dbraw/zinc/63/19/10/443631910.db2.gz MKFVQWFOOXAIES-ZIAGYGMSSA-N -1 3 325.336 1.232 20 10 EDCDHM C[C@H]1COCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000286507679 443713387 /nfs/dbraw/zinc/71/33/87/443713387.db2.gz BDHZVFBPTABLNZ-WDEREUQCSA-N -1 3 342.417 1.166 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@](O)(Cn3ccnn3)C2)c1[O-] ZINC000284647938 443783333 /nfs/dbraw/zinc/78/33/33/443783333.db2.gz UYSMRDGZACRTNW-QGZVFWFLSA-N -1 3 348.378 1.353 20 10 EDCDHM C[C@@H]1CSCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000277432681 443986977 /nfs/dbraw/zinc/98/69/77/443986977.db2.gz DNVVBHSNSAOKFH-JTQLQIEISA-N -1 3 344.458 1.589 20 10 EDCDHM COCCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000278153537 444108117 /nfs/dbraw/zinc/10/81/17/444108117.db2.gz CMEXVLKAZPNFSL-GFCCVEGCSA-N -1 3 339.392 1.462 20 10 EDCDHM COc1cccc(-n2cc(CNC(=O)c3cccc(O)c3[O-])nn2)c1 ZINC000366071148 445993729 /nfs/dbraw/zinc/99/37/29/445993729.db2.gz BXRZCOSMYRJBPA-UHFFFAOYSA-N -1 3 340.339 1.617 20 10 EDCDHM CN1C(=O)C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1c1ccc(F)cc1 ZINC000366174322 446061149 /nfs/dbraw/zinc/06/11/49/446061149.db2.gz YQRYYWHHXTWJFY-CJNGLKHVSA-N -1 3 344.342 1.939 20 10 EDCDHM COc1cccc(N2C[C@@H](NC(=O)c3cc([O-])cs3)CC2=O)c1 ZINC000732282575 578702585 /nfs/dbraw/zinc/70/25/85/578702585.db2.gz QBVUOCXGFGCYJA-JTQLQIEISA-N -1 3 332.381 1.998 20 10 EDCDHM CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000761201693 580051199 /nfs/dbraw/zinc/05/11/99/580051199.db2.gz CTFAVAPXQNRHRB-GFCCVEGCSA-N -1 3 348.852 1.568 20 10 EDCDHM O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc([O-])cs1 ZINC000752633139 579862745 /nfs/dbraw/zinc/86/27/45/579862745.db2.gz UVNOVKGSDWOYSY-SECBINFHSA-N -1 3 347.439 1.080 20 10 EDCDHM CC(C)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000755864338 579936722 /nfs/dbraw/zinc/93/67/22/579936722.db2.gz SIMQQSREHNGHPA-NSHDSACASA-N -1 3 326.418 1.882 20 10 EDCDHM C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756484632 579950844 /nfs/dbraw/zinc/95/08/44/579950844.db2.gz ZUMKHKNMOXIFBX-JTQLQIEISA-N -1 3 345.421 1.669 20 10 EDCDHM CCc1nc(CN2CCN(Cc3c([O-])cccc3OC)CC2)no1 ZINC000769384750 580235321 /nfs/dbraw/zinc/23/53/21/580235321.db2.gz VVIKRPQAZBZCNW-UHFFFAOYSA-N -1 3 332.404 1.664 20 10 EDCDHM COc1c([O-])c(CN2CCN(CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000774888198 580376573 /nfs/dbraw/zinc/37/65/73/580376573.db2.gz UMOYUTAMDQWDMU-UHFFFAOYSA-N -1 3 339.392 1.199 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000775908792 580404102 /nfs/dbraw/zinc/40/41/02/580404102.db2.gz OVIMPFVXVOSMLP-RQOWECAXSA-N -1 3 328.250 1.564 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000775908792 580404103 /nfs/dbraw/zinc/40/41/03/580404103.db2.gz OVIMPFVXVOSMLP-RQOWECAXSA-N -1 3 328.250 1.564 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOCC3(CC3)C2)c1 ZINC000782844860 580586129 /nfs/dbraw/zinc/58/61/29/580586129.db2.gz DMSQSSZRQBUODF-UHFFFAOYSA-N -1 3 340.401 1.016 20 10 EDCDHM CN(Cc1ncnn1CC(F)F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000782990363 580590520 /nfs/dbraw/zinc/59/05/20/580590520.db2.gz FCOZRVSPHRDSGG-LBPRGKRZSA-N -1 3 340.330 1.307 20 10 EDCDHM O=C(NCc1cccc(N2CCOC2=O)c1)c1cccc(O)c1[O-] ZINC000790545828 580772760 /nfs/dbraw/zinc/77/27/60/580772760.db2.gz GNIMSCAEAFOIOM-UHFFFAOYSA-N -1 3 328.324 1.984 20 10 EDCDHM COc1ccc(CNCc2cn(Cc3cccnc3)nn2)c([O-])c1 ZINC000793388077 580843230 /nfs/dbraw/zinc/84/32/30/580843230.db2.gz KUNSOFNYYSPCCL-UHFFFAOYSA-N -1 3 325.372 1.725 20 10 EDCDHM O=C(CN1CCSC1=O)NCc1cc(Br)ccc1[O-] ZINC000804737282 590756731 /nfs/dbraw/zinc/75/67/31/590756731.db2.gz MXYKYNUBFFRGOD-UHFFFAOYSA-N -1 3 345.218 1.940 20 10 EDCDHM O=C(c1cc2cc(O)c([O-])cc2s1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000897601329 591577778 /nfs/dbraw/zinc/57/77/78/591577778.db2.gz JDPVQMNGJMTVOG-INIZCTEOSA-N -1 3 332.381 1.665 20 10 EDCDHM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1cc2cc(O)c([O-])cc2s1 ZINC000899277558 591755830 /nfs/dbraw/zinc/75/58/30/591755830.db2.gz NQLBHSIWQBFVHJ-MNOVXSKESA-N -1 3 337.397 1.972 20 10 EDCDHM Cn1nccc1[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000902573764 592017411 /nfs/dbraw/zinc/01/74/11/592017411.db2.gz AQTDPTRTOMOACZ-RDJZCZTQSA-N -1 3 331.372 1.125 20 10 EDCDHM CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc(Br)ccc1[O-] ZINC000908171460 592358966 /nfs/dbraw/zinc/35/89/66/592358966.db2.gz YJTSELPVTVEHFF-SMDDNHRTSA-N -1 3 343.221 1.226 20 10 EDCDHM Cc1ccc(C(=O)N2CCN(c3cc(F)ncn3)CC2)c([O-])c1O ZINC000908897908 592663929 /nfs/dbraw/zinc/66/39/29/592663929.db2.gz GXRMEPXLFYGRSO-UHFFFAOYSA-N -1 3 332.335 1.298 20 10 EDCDHM COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731910714 592928277 /nfs/dbraw/zinc/92/82/77/592928277.db2.gz BAGKBHVPGVFPGV-JTQLQIEISA-N -1 3 329.374 1.314 20 10 EDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H](C)S1(=O)=O ZINC000808196058 593238472 /nfs/dbraw/zinc/23/84/72/593238472.db2.gz XVYWCONEALOOPC-HCKVZZMMSA-N -1 3 341.429 1.216 20 10 EDCDHM COC(=O)c1ccc(CCNC(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000818795690 593720317 /nfs/dbraw/zinc/72/03/17/593720317.db2.gz KGXLRYMQQGTNGV-UHFFFAOYSA-N -1 3 345.351 1.866 20 10 EDCDHM Cc1cc([O-])c(CN2CCN(CC(=O)NC(C)C)CC2)cc1Cl ZINC000824530135 594032789 /nfs/dbraw/zinc/03/27/89/594032789.db2.gz VFBWXXJNFARSTD-UHFFFAOYSA-N -1 3 339.867 1.996 20 10 EDCDHM O=C(c1cc([O-])cs1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000824757309 594069710 /nfs/dbraw/zinc/06/97/10/594069710.db2.gz VCLUIJPXEBOVAK-JTQLQIEISA-N -1 3 344.483 1.544 20 10 EDCDHM CCN1C(=O)[C@@H]2CN(Cc3cc(Cl)c(C)cc3[O-])CCN2C1=O ZINC000824920768 594097520 /nfs/dbraw/zinc/09/75/20/594097520.db2.gz XMTJCFNUUFCOLX-ZDUSSCGKSA-N -1 3 337.807 1.822 20 10 EDCDHM CCOC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000823575989 594218595 /nfs/dbraw/zinc/21/85/95/594218595.db2.gz GMLSYLIQNRFKFO-AWEZNQCLSA-N -1 3 333.384 1.853 20 10 EDCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825880193 594267373 /nfs/dbraw/zinc/26/73/73/594267373.db2.gz XTYWUEWEANZSKA-UHFFFAOYSA-N -1 3 339.359 1.300 20 10 EDCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825880193 594267374 /nfs/dbraw/zinc/26/73/74/594267374.db2.gz XTYWUEWEANZSKA-UHFFFAOYSA-N -1 3 339.359 1.300 20 10 EDCDHM COCCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000825935217 594285193 /nfs/dbraw/zinc/28/51/93/594285193.db2.gz PCELPQPHOKYKSN-CYBMUJFWSA-N -1 3 347.864 1.990 20 10 EDCDHM Cc1ccnc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000827023292 594625470 /nfs/dbraw/zinc/62/54/70/594625470.db2.gz WOWFBRHYQQWMLV-UHFFFAOYSA-N -1 3 331.347 1.903 20 10 EDCDHM O=C([O-])N1CC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000831959062 594714650 /nfs/dbraw/zinc/71/46/50/594714650.db2.gz YPCKNCOPQURVNK-MRXNPFEDSA-N -1 3 333.432 1.737 20 10 EDCDHM Cc1cc(Br)cc(CN2CC[C@H](O)[C@H](CO)C2)c1[O-] ZINC000840974603 594834490 /nfs/dbraw/zinc/83/44/90/594834490.db2.gz COSKFJJOVFFTRH-AAEUAGOBSA-N -1 3 330.222 1.638 20 10 EDCDHM [O-]c1ccc(Br)cc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000846067439 595135463 /nfs/dbraw/zinc/13/54/63/595135463.db2.gz DQGNHVKGHFDHDM-CYBMUJFWSA-N -1 3 327.222 1.406 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1CCC(=O)C1 ZINC000843847964 595200256 /nfs/dbraw/zinc/20/02/56/595200256.db2.gz QGEAOIZOQRKQLB-JTQLQIEISA-N -1 3 339.775 1.916 20 10 EDCDHM C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000842938286 595239924 /nfs/dbraw/zinc/23/99/24/595239924.db2.gz QEGGMMYQJKZQSL-RHSMWYFYSA-N -1 3 347.459 1.754 20 10 EDCDHM CN(Cc1ccccc1[O-])C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000111235039 595731061 /nfs/dbraw/zinc/73/10/61/595731061.db2.gz MDGHWBAPCNHXDP-KRWDZBQOSA-N -1 3 335.425 1.961 20 10 EDCDHM COc1cccc(CNC(=O)c2nnc3ccccc3c2[O-])c1O ZINC000111597799 595877844 /nfs/dbraw/zinc/87/78/44/595877844.db2.gz BYXGQRXFNGURGW-UHFFFAOYSA-N -1 3 325.324 1.567 20 10 EDCDHM CO[C@H](C(=O)NCc1cc(Br)ccc1[O-])[C@H]1CCOC1 ZINC000854442424 596081027 /nfs/dbraw/zinc/08/10/27/596081027.db2.gz RJQWTFHUBOARNN-ZANVPECISA-N -1 3 344.205 1.822 20 10 EDCDHM O=C(NCc1ccc2cccnc2c1[O-])[C@@H]1CCCN1C(=O)C1CC1 ZINC000862024928 596185365 /nfs/dbraw/zinc/18/53/65/596185365.db2.gz JXAZFJYHCABBSL-HNNXBMFYSA-N -1 3 339.395 1.958 20 10 EDCDHM CCOC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCC1(F)F ZINC000870918699 596404112 /nfs/dbraw/zinc/40/41/12/596404112.db2.gz LXGBQGVPGSGXKC-JTQLQIEISA-N -1 3 329.299 1.758 20 10 EDCDHM COCCO[C@@H]1COCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922070655 709567898 /nfs/dbraw/zinc/56/78/98/709567898.db2.gz KRLCNTALYVIBOK-UKRRQHHQSA-N -1 3 342.367 1.151 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCc3c(=O)n(C)cnc3C2)c1[O-] ZINC000367381050 250194744 /nfs/dbraw/zinc/19/47/44/250194744.db2.gz FPENNQSVRYTIFK-UHFFFAOYSA-N -1 3 331.347 1.386 20 10 EDCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2COC[C@H]2n2ccnn2)c1[O-] ZINC000284891260 304799295 /nfs/dbraw/zinc/79/92/95/304799295.db2.gz SZZPSMPZVFZXQR-CMPLNLGQSA-N -1 3 339.739 1.275 20 10 EDCDHM C[C@H]1C[C@H](C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000055111114 441619813 /nfs/dbraw/zinc/61/98/13/441619813.db2.gz VAXSKGNNNCOZRK-QWRGUYRKSA-N -1 3 326.418 1.882 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOCC2CC2)c1 ZINC000055157780 441622827 /nfs/dbraw/zinc/62/28/27/441622827.db2.gz ORJYMGSMOBHQQX-UHFFFAOYSA-N -1 3 342.417 1.310 20 10 EDCDHM Cc1cc(Br)cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1[O-] ZINC000180726158 442652954 /nfs/dbraw/zinc/65/29/54/442652954.db2.gz SBGLUCFINFRFIC-BXKDBHETSA-N -1 3 343.221 1.538 20 10 EDCDHM CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1 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NC(=O)c1cccnc1N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179931125 442520127 /nfs/dbraw/zinc/52/01/27/442520127.db2.gz ZPMABYQZFDVFLU-UHFFFAOYSA-N -1 3 330.363 1.347 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000193040246 442707525 /nfs/dbraw/zinc/70/75/25/442707525.db2.gz LFZBXGIQXKLUBS-NSHDSACASA-N -1 3 328.372 1.655 20 10 EDCDHM Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1O ZINC000182504812 442777722 /nfs/dbraw/zinc/77/77/22/442777722.db2.gz RLWRHNAWWRBMKT-GFCCVEGCSA-N -1 3 330.388 1.539 20 10 EDCDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Br)cc(C)c1[O-] ZINC000248879966 442933929 /nfs/dbraw/zinc/93/39/29/442933929.db2.gz GCCQTWGJIAPRJZ-RYUDHWBXSA-N -1 3 344.205 1.571 20 10 EDCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000266130390 443027986 /nfs/dbraw/zinc/02/79/86/443027986.db2.gz JZQBMMUMIZAVIH-UHFFFAOYSA-N -1 3 345.403 1.587 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccnn2CCO)CC1 ZINC000185892225 443276973 /nfs/dbraw/zinc/27/69/73/443276973.db2.gz 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O=[N+]([O-])c1ccc([O-])c(CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285498543 444007516 /nfs/dbraw/zinc/00/75/16/444007516.db2.gz MZBMSXBGUYPTDL-ZDUSSCGKSA-N -1 3 349.309 1.653 20 10 EDCDHM COC[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)OC ZINC000277920184 444065194 /nfs/dbraw/zinc/06/51/94/444065194.db2.gz PXPOBRGSBRPMEF-GFCCVEGCSA-N -1 3 342.779 1.471 20 10 EDCDHM O=C(NCCCO)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295285417 444175311 /nfs/dbraw/zinc/17/53/11/444175311.db2.gz IVGGTSJVZLTXIF-UHFFFAOYSA-N -1 3 344.814 1.895 20 10 EDCDHM CO[C@@H]1COC[C@H]1n1cc(CNCc2c([O-])cccc2Cl)nn1 ZINC000289933584 444221479 /nfs/dbraw/zinc/22/14/79/444221479.db2.gz WKBKKENGIXSIET-UKRRQHHQSA-N -1 3 338.795 1.513 20 10 EDCDHM [O-]c1ccc(F)cc1CN1CCc2ncnc(N3CCOCC3)c2C1 ZINC000373129486 446049313 /nfs/dbraw/zinc/04/93/13/446049313.db2.gz ZAZAEJZNEBTXJX-UHFFFAOYSA-N -1 3 344.390 1.716 20 10 EDCDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000375925917 447153211 /nfs/dbraw/zinc/15/32/11/447153211.db2.gz 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ZINC000825954118 594290152 /nfs/dbraw/zinc/29/01/52/594290152.db2.gz WFFFDOXHWPVODJ-UHFFFAOYSA-N -1 3 325.328 1.937 20 10 EDCDHM CN(Cc1cc2c(cc1O)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825954118 594290155 /nfs/dbraw/zinc/29/01/55/594290155.db2.gz WFFFDOXHWPVODJ-UHFFFAOYSA-N -1 3 325.328 1.937 20 10 EDCDHM CC[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(N(C)C)cc1 ZINC000826619570 594541527 /nfs/dbraw/zinc/54/15/27/594541527.db2.gz KLHWCQVZKIGKGV-INIZCTEOSA-N -1 3 348.447 1.616 20 10 EDCDHM NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCN(C(=O)[O-])C3)cc2)C1 ZINC000831178484 594575837 /nfs/dbraw/zinc/57/58/37/594575837.db2.gz IVCLPRNZDNFXOR-LSDHHAIUSA-N -1 3 346.431 1.230 20 10 EDCDHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000833770440 594925783 /nfs/dbraw/zinc/92/57/83/594925783.db2.gz GISQMXKJGWWKIH-KRWDZBQOSA-N -1 3 334.416 1.181 20 10 EDCDHM CCS(=O)(=O)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000841886555 594974289 /nfs/dbraw/zinc/97/42/89/594974289.db2.gz RFHMKJKMHORGMT-UHFFFAOYSA-N -1 3 334.235 1.774 20 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RJVIHNPCTAPXAF-ZDUSSCGKSA-N -1 3 344.371 1.065 20 10 EDCDHM C[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271318335 443500859 /nfs/dbraw/zinc/50/08/59/443500859.db2.gz YHRYFGBWWKYSNA-NXEZZACHSA-N -1 3 328.390 1.061 20 10 EDCDHM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(O)c1[O-] ZINC000274926962 443615881 /nfs/dbraw/zinc/61/58/81/443615881.db2.gz ZCMGNIRJVBKLED-HNNXBMFYSA-N -1 3 342.395 1.729 20 10 EDCDHM CCC(O)(CC)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000276424757 443702261 /nfs/dbraw/zinc/70/22/61/443702261.db2.gz JMKSAKFBDQTIRC-UHFFFAOYSA-N -1 3 344.433 1.435 20 10 EDCDHM CC(C)SCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000286685384 443721341 /nfs/dbraw/zinc/72/13/41/443721341.db2.gz KNXRHTODNZYOBO-UHFFFAOYSA-N -1 3 332.447 1.635 20 10 EDCDHM Cc1cc(Cl)cc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000292746340 443833073 /nfs/dbraw/zinc/83/30/73/443833073.db2.gz HZRIVGGRMMRIRT-ZDUSSCGKSA-N -1 3 332.853 1.820 20 10 EDCDHM CCOC(=O)c1cc([N-]S(=O)(=O)CCOC(C)C)ccc1O ZINC000295239456 444173414 /nfs/dbraw/zinc/17/34/14/444173414.db2.gz USPKYRTYUVSWMJ-UHFFFAOYSA-N -1 3 331.390 1.736 20 10 EDCDHM CN(C[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1)S(C)(=O)=O ZINC000289571657 444173950 /nfs/dbraw/zinc/17/39/50/444173950.db2.gz SNDAJLFQJWJBHB-LBPRGKRZSA-N -1 3 330.425 1.635 20 10 EDCDHM CC[C@@H](NCc1cn([C@@H]2COC[C@H]2OC)nn1)c1ccccc1[O-] ZINC000289688064 444190805 /nfs/dbraw/zinc/19/08/05/444190805.db2.gz HZMIZFUMDNSZQY-BFYDXBDKSA-N -1 3 332.404 1.811 20 10 EDCDHM NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000360072454 445554390 /nfs/dbraw/zinc/55/43/90/445554390.db2.gz CDISTCZOFLRPNX-OQPBUACISA-N -1 3 346.305 1.749 20 10 EDCDHM CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000364818392 445958123 /nfs/dbraw/zinc/95/81/23/445958123.db2.gz ZBABVJMOUPIWJX-GXSJLCMTSA-N -1 3 333.344 1.300 20 10 EDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000365779527 446339909 /nfs/dbraw/zinc/33/99/09/446339909.db2.gz IOCHOVZZIGVEOI-GFCCVEGCSA-N -1 3 333.365 1.698 20 10 EDCDHM O=C1NC(=O)[C@@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@@H]12 ZINC000368351691 446804807 /nfs/dbraw/zinc/80/48/07/446804807.db2.gz JRBVWGZAFAUIEU-GHMZBOCLSA-N -1 3 339.189 1.249 20 10 EDCDHM CCN1CCN(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)C1=O ZINC000371668771 446945860 /nfs/dbraw/zinc/94/58/60/446945860.db2.gz AFEINBBBEDKHLL-UHFFFAOYSA-N -1 3 347.415 1.768 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCC(CS(N)(=O)=O)CC2)c1[O-] ZINC000089990847 527208139 /nfs/dbraw/zinc/20/81/39/527208139.db2.gz GUSIMMRVMVLKJV-UHFFFAOYSA-N -1 3 344.408 1.234 20 10 EDCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)S1 ZINC000743728157 579489686 /nfs/dbraw/zinc/48/96/86/579489686.db2.gz KKPNQGNLRATGRJ-NXEZZACHSA-N -1 3 344.458 1.730 20 10 EDCDHM COc1cccc(N2C[C@H](NC(=O)c3cc([O-])cs3)CC2=O)c1 ZINC000732282577 578702604 /nfs/dbraw/zinc/70/26/04/578702604.db2.gz QBVUOCXGFGCYJA-SNVBAGLBSA-N -1 3 332.381 1.998 20 10 EDCDHM CC(C)(CS(C)(=O)=O)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000762784244 580083029 /nfs/dbraw/zinc/08/30/29/580083029.db2.gz BRAUAHBLECVFRR-UHFFFAOYSA-N -1 3 336.797 1.867 20 10 EDCDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440735 580212796 /nfs/dbraw/zinc/21/27/96/580212796.db2.gz YNVWOKNHLFCBQS-IUODEOHRSA-N -1 3 336.388 1.529 20 10 EDCDHM CCOc1ccc(CN2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c([O-])c1 ZINC000770292849 580257461 /nfs/dbraw/zinc/25/74/61/580257461.db2.gz UVZIHZRGOPARNK-CQSZACIVSA-N -1 3 333.388 1.259 20 10 EDCDHM COCc1noc(CN2CCN(Cc3c([O-])cccc3OC)CC2)n1 ZINC000783703804 580604415 /nfs/dbraw/zinc/60/44/15/580604415.db2.gz FLTMTVJUHRTOGU-UHFFFAOYSA-N -1 3 348.403 1.248 20 10 EDCDHM COC[C@@H](NCc1cc(Br)cc(C)c1[O-])C(=O)OC ZINC000789576227 580749769 /nfs/dbraw/zinc/74/97/69/580749769.db2.gz PQAAZVHDOXSSFS-LLVKDONJSA-N -1 3 332.194 1.741 20 10 EDCDHM O=C(NCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000790527880 580772350 /nfs/dbraw/zinc/77/23/50/580772350.db2.gz LLSXRTHEOXQXSI-UHFFFAOYSA-N -1 3 341.411 1.650 20 10 EDCDHM C[C@@]1(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)NC(=O)NC1=O ZINC000790531077 580772373 /nfs/dbraw/zinc/77/23/73/580772373.db2.gz TZADFYZXDIFSNW-KRWDZBQOSA-N -1 3 341.323 1.405 20 10 EDCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)s1 ZINC000795357447 580919938 /nfs/dbraw/zinc/91/99/38/580919938.db2.gz PMYZPVWOOJZMHF-UHFFFAOYSA-N -1 3 328.415 1.898 20 10 EDCDHM CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c([O-])ccc3ccncc32)C1 ZINC000795650185 580932766 /nfs/dbraw/zinc/93/27/66/580932766.db2.gz FSZSECUSVOCVKP-CQSZACIVSA-N -1 3 349.456 1.796 20 10 EDCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000797070883 580967700 /nfs/dbraw/zinc/96/77/00/580967700.db2.gz NJVVTUWKROOLKY-VHSXEESVSA-N -1 3 328.390 1.917 20 10 EDCDHM O=C(NCc1cc(Br)ccc1[O-])[C@H]1CSC(=O)N1 ZINC000804735096 590755429 /nfs/dbraw/zinc/75/54/29/590755429.db2.gz LCLKCAHWHPQGQJ-MRVPVSSYSA-N -1 3 331.191 1.596 20 10 EDCDHM CCCC(=O)NCC(=O)NCc1cc(Br)ccc1[O-] ZINC000804739658 590757195 /nfs/dbraw/zinc/75/71/95/590757195.db2.gz NRZRLVLHFKKOIS-UHFFFAOYSA-N -1 3 329.194 1.687 20 10 EDCDHM CN(C)C(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000840959202 591042191 /nfs/dbraw/zinc/04/21/91/591042191.db2.gz YLEABKRELHPLIL-VIFPVBQESA-N -1 3 327.768 1.864 20 10 EDCDHM COC(COCCNC(=O)c1cc2cc(O)c([O-])cc2s1)OC ZINC000897499355 591502887 /nfs/dbraw/zinc/50/28/87/591502887.db2.gz GURREJVFFMWACJ-UHFFFAOYSA-N -1 3 341.385 1.678 20 10 EDCDHM O=C(NOCCN1CCCC1=O)c1cc2cc(O)c([O-])cc2s1 ZINC000898938892 591606258 /nfs/dbraw/zinc/60/62/58/591606258.db2.gz CFQYQGRAHDLELD-UHFFFAOYSA-N -1 3 336.369 1.596 20 10 EDCDHM NS(=O)(=O)C[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000897057717 591726394 /nfs/dbraw/zinc/72/63/94/591726394.db2.gz HXISFFJEKIMKPG-SECBINFHSA-N -1 3 349.250 1.265 20 10 EDCDHM CCOC(=O)[C@@]1(F)CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1CC ZINC000899636639 591878329 /nfs/dbraw/zinc/87/83/29/591878329.db2.gz IOQPZPHKPKFSDH-MGPLVRAMSA-N -1 3 325.336 1.851 20 10 EDCDHM CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ncc[n-]2)N(C)C)cc1 ZINC000908460492 592501012 /nfs/dbraw/zinc/50/10/12/592501012.db2.gz VGGSQWNDUSPYLO-CQSZACIVSA-N -1 3 337.449 1.057 20 10 EDCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000911118424 592936895 /nfs/dbraw/zinc/93/68/95/592936895.db2.gz MZHOTMBKZLHEHM-INIZCTEOSA-N -1 3 347.459 1.898 20 10 EDCDHM O=C(NCCCN1C(=O)c2ccccc2C1=O)c1cc([O-])cs1 ZINC000807703513 593191713 /nfs/dbraw/zinc/19/17/13/593191713.db2.gz IOWCYALLEFYLCF-UHFFFAOYSA-N -1 3 330.365 1.870 20 10 EDCDHM CC(C(=O)NCc1cc(Cl)cc(Cl)c1[O-])S(C)(=O)=O ZINC000807834372 593202841 /nfs/dbraw/zinc/20/28/41/593202841.db2.gz LOHVVJDZNVAKJL-LURJTMIESA-N -1 3 326.201 1.748 20 10 EDCDHM CNC(=O)[C@H](CCSC)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808437623 593258613 /nfs/dbraw/zinc/25/86/13/593258613.db2.gz SFJUDBQJLBKWHB-JTQLQIEISA-N -1 3 347.824 1.911 20 10 EDCDHM C[C@H](NCC(=O)N1CCNCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817945719 593650953 /nfs/dbraw/zinc/65/09/53/593650953.db2.gz KHPXEHVDJJUHOX-VIFPVBQESA-N -1 3 332.231 1.781 20 10 EDCDHM C[C@H](NCC(=O)N1CCNCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945500 593651174 /nfs/dbraw/zinc/65/11/74/593651174.db2.gz FDGJOCZBFQYCDU-JTQLQIEISA-N -1 3 331.338 1.493 20 10 EDCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821839424 593952100 /nfs/dbraw/zinc/95/21/00/593952100.db2.gz VCLACYYHDHZGSB-SECBINFHSA-N -1 3 342.359 1.410 20 10 EDCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821839424 593952103 /nfs/dbraw/zinc/95/21/03/593952103.db2.gz VCLACYYHDHZGSB-SECBINFHSA-N -1 3 342.359 1.410 20 10 EDCDHM Cc1cc([O-])c(CN2CCC[C@@H](NS(C)(=O)=O)C2)cc1Cl ZINC000824560547 594038676 /nfs/dbraw/zinc/03/86/76/594038676.db2.gz JBHKOJJUJRHCMP-GFCCVEGCSA-N -1 3 332.853 1.868 20 10 EDCDHM NS(=O)(=O)C[C@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000824815134 594078876 /nfs/dbraw/zinc/07/88/76/594078876.db2.gz ZTBTVUBZDHPHBP-LLVKDONJSA-N -1 3 349.250 1.408 20 10 EDCDHM COC[C@@]1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000825158065 594138319 /nfs/dbraw/zinc/13/83/19/594138319.db2.gz COZCDVDKLHIXRB-AWEZNQCLSA-N -1 3 330.768 1.785 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826400869 594461326 /nfs/dbraw/zinc/46/13/26/594461326.db2.gz KCIFKLMUJYEVHX-FNORWQNLSA-N -1 3 337.339 1.608 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826400869 594461327 /nfs/dbraw/zinc/46/13/27/594461327.db2.gz KCIFKLMUJYEVHX-FNORWQNLSA-N -1 3 337.339 1.608 20 10 EDCDHM CN1CCC[C@H](C(=O)NCc2cc(Br)ccc2[O-])C1=O ZINC000831932825 594712640 /nfs/dbraw/zinc/71/26/40/594712640.db2.gz JPBUCVSIEFXVES-LLVKDONJSA-N -1 3 341.205 1.639 20 10 EDCDHM COCC(COC)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840955087 594832231 /nfs/dbraw/zinc/83/22/31/594832231.db2.gz QILKBPPOVLPEOT-UHFFFAOYSA-N -1 3 346.830 1.964 20 10 EDCDHM Cc1cc(Br)cc(CN2CC[C@@H](O)[C@@H](CO)C2)c1[O-] ZINC000840974604 594834483 /nfs/dbraw/zinc/83/44/83/594834483.db2.gz COSKFJJOVFFTRH-DGCLKSJQSA-N -1 3 330.222 1.638 20 10 EDCDHM CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833695787 594908995 /nfs/dbraw/zinc/90/89/95/594908995.db2.gz WWLAFWJCMAAVCO-MRXNPFEDSA-N -1 3 333.432 1.650 20 10 EDCDHM O=C([O-])[C@@]1(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000841801363 594955254 /nfs/dbraw/zinc/95/52/54/594955254.db2.gz SEAXLPWFWPERCA-QGZVFWFLSA-N -1 3 349.387 1.918 20 10 EDCDHM C[C@H]1SCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000844104717 595274328 /nfs/dbraw/zinc/27/43/28/595274328.db2.gz CQAXYBROWMRVFO-KCJUWKMLSA-N -1 3 330.431 1.388 20 10 EDCDHM CC(=O)N1CCC(NC(=O)NCc2cc(Cl)ccc2[O-])CC1 ZINC000844281142 595315714 /nfs/dbraw/zinc/31/57/14/595315714.db2.gz KAGYHOYRAIXQCO-UHFFFAOYSA-N -1 3 325.796 1.856 20 10 EDCDHM COc1ccc(N2CC[C@H](NC(=O)c3ccc4n[n-]nc4c3)C2)cc1 ZINC000855229818 595636758 /nfs/dbraw/zinc/63/67/58/595636758.db2.gz RBXMMKYKBLGPKF-ZDUSSCGKSA-N -1 3 337.383 1.975 20 10 EDCDHM C[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000854456480 596085514 /nfs/dbraw/zinc/08/55/14/596085514.db2.gz VHNYZSMZMAVJFD-RKDXNWHRSA-N -1 3 335.385 1.947 20 10 EDCDHM CN(C)[C@H](C(=O)NCc1ccc2cccnc2c1[O-])c1cncn1C ZINC000862026408 596185986 /nfs/dbraw/zinc/18/59/86/596185986.db2.gz NLOMYYZBTNWUJA-INIZCTEOSA-N -1 3 339.399 1.593 20 10 EDCDHM COC(=O)[C@@]1(OC)CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862475720 596334922 /nfs/dbraw/zinc/33/49/22/596334922.db2.gz VEHSXXODQXBKNT-OAHLLOKOSA-N -1 3 329.780 1.818 20 10 EDCDHM COc1cccc([O-])c1CN1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000877762028 597553534 /nfs/dbraw/zinc/55/35/34/597553534.db2.gz YAORBOBTDQYORV-UHFFFAOYSA-N -1 3 348.424 1.607 20 10 EDCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCN(c2ncccn2)C1 ZINC000914218192 695282403 /nfs/dbraw/zinc/28/24/03/695282403.db2.gz BDZQVBOOTVNRLI-LBPRGKRZSA-N -1 3 345.378 1.790 20 10 EDCDHM O=S(=O)(NCc1c([O-])cccc1F)c1cnn(C2CCC2)c1 ZINC000921451708 697619047 /nfs/dbraw/zinc/61/90/47/697619047.db2.gz VBJMAVGBRUEJKP-UHFFFAOYSA-N -1 3 325.365 1.931 20 10 EDCDHM O=S(=O)(NCc1c([O-])cccc1F)c1cn2c(n1)CCCC2 ZINC000921452783 697619411 /nfs/dbraw/zinc/61/94/11/697619411.db2.gz ZGZWZXQCUHAQEQ-UHFFFAOYSA-N -1 3 325.365 1.543 20 10 EDCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc2ccccc2c1[O-] ZINC000183440476 701643364 /nfs/dbraw/zinc/64/33/64/701643364.db2.gz GVZQLRZPBXALGG-JTQLQIEISA-N -1 3 339.351 1.695 20 10 EDCDHM CC[C@H](c1ccccc1[O-])N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000373612606 288167132 /nfs/dbraw/zinc/16/71/32/288167132.db2.gz ZTBSNLSLUFKDTN-GOEBONIOSA-N -1 3 338.473 1.648 20 10 EDCDHM CCN1C(=O)[C@@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCN2C1=O ZINC000378440713 447428715 /nfs/dbraw/zinc/42/87/15/447428715.db2.gz DPIHFJNLNGXQEU-ZDUSSCGKSA-N -1 3 337.807 1.822 20 10 EDCDHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272755729 443433692 /nfs/dbraw/zinc/43/36/92/443433692.db2.gz PGGCZQGDUTZXLG-NSHDSACASA-N -1 3 332.360 1.409 20 10 EDCDHM O=C(NCCCO)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271026147 443487324 /nfs/dbraw/zinc/48/73/24/443487324.db2.gz AKLLYKWMJCINCO-UHFFFAOYSA-N -1 3 326.824 1.756 20 10 EDCDHM CN(C)C(=O)CCN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271894270 443517884 /nfs/dbraw/zinc/51/78/84/443517884.db2.gz XSHJABPAILWYEB-UHFFFAOYSA-N -1 3 325.840 1.642 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1CCOC1 ZINC000272195325 443553512 /nfs/dbraw/zinc/55/35/12/443553512.db2.gz GLUKBBIOLCCKLO-SNVBAGLBSA-N -1 3 327.764 1.584 20 10 EDCDHM C[C@H](c1nncn1C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000279960424 443650554 /nfs/dbraw/zinc/65/05/54/443650554.db2.gz VMCBATUVFQJNDB-SECBINFHSA-N -1 3 349.778 1.700 20 10 EDCDHM C[C@H]1[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1(=O)=O ZINC000294039631 444100044 /nfs/dbraw/zinc/10/00/44/444100044.db2.gz WGPVGVAIDHQWJV-XVKPBYJWSA-N -1 3 334.781 1.619 20 10 EDCDHM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000294443482 444117547 /nfs/dbraw/zinc/11/75/47/444117547.db2.gz VQCRCTHQZIDMFP-ZUZCIYMTSA-N -1 3 342.417 1.045 20 10 EDCDHM 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QMZLAHFUBLNVTK-CQSZACIVSA-N -1 3 335.335 1.999 20 10 EDCDHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000378558785 447441408 /nfs/dbraw/zinc/44/14/08/447441408.db2.gz JCVHWEZWLFQRRB-AWEZNQCLSA-N -1 3 345.399 1.970 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000188216670 442725874 /nfs/dbraw/zinc/72/58/74/442725874.db2.gz HRYZFWCSGGCPLY-CQSZACIVSA-N -1 3 326.352 1.801 20 10 EDCDHM COc1ccc(N2CCN(C(=O)c3cc(C)nc(=O)[n-]3)CC2)cc1 ZINC000268603580 443048698 /nfs/dbraw/zinc/04/86/98/443048698.db2.gz AUHMTSQDOYVLLD-UHFFFAOYSA-N -1 3 328.372 1.462 20 10 EDCDHM CN(C[C@@H]1CCCO1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000264035702 443245995 /nfs/dbraw/zinc/24/59/95/443245995.db2.gz UEAOPPKGARMEMR-NSHDSACASA-N -1 3 328.390 1.015 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2ccccn2)c1 ZINC000269398437 443303072 /nfs/dbraw/zinc/30/30/72/443303072.db2.gz CKKJGADGGUEOIV-UHFFFAOYSA-N -1 3 349.412 1.521 20 10 EDCDHM COc1cc(OC)cc([C@@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000272766493 443438416 /nfs/dbraw/zinc/43/84/16/443438416.db2.gz RGDAGVGHKKQTES-HNNXBMFYSA-N -1 3 347.367 1.887 20 10 EDCDHM COC(=O)[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000271149272 443492868 /nfs/dbraw/zinc/49/28/68/443492868.db2.gz AJKWTOZVWLRUFC-NSHDSACASA-N -1 3 330.178 1.529 20 10 EDCDHM COC(=O)[C@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@H](C)O1 ZINC000282929227 443471951 /nfs/dbraw/zinc/47/19/51/443471951.db2.gz FQHANXOKKRDBIA-NOZJJQNGSA-N -1 3 329.780 1.817 20 10 EDCDHM CCCCN(C(=O)c1ccc(C)c(O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000271283144 443498731 /nfs/dbraw/zinc/49/87/31/443498731.db2.gz OLEJGTSZKVKHRM-GFCCVEGCSA-N -1 3 341.429 1.836 20 10 EDCDHM CCCCN(CCOC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271274861 443498774 /nfs/dbraw/zinc/49/87/74/443498774.db2.gz MZUGCCCQJYTUMU-UHFFFAOYSA-N -1 3 344.433 1.652 20 10 EDCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCCO1 ZINC000272030114 443522965 /nfs/dbraw/zinc/52/29/65/443522965.db2.gz DONZOEOGHZZNDY-YGRLFVJLSA-N -1 3 342.417 1.451 20 10 EDCDHM NC(=O)c1ccc(N2CCN(Cc3cc(F)ccc3[O-])CC2)nc1 ZINC000272339559 443596470 /nfs/dbraw/zinc/59/64/70/443596470.db2.gz YJYSHKUYPNSQKP-UHFFFAOYSA-N -1 3 330.363 1.347 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nc(N)n(C)n2)c1[O-] ZINC000284402385 443773708 /nfs/dbraw/zinc/77/37/08/443773708.db2.gz WMKSGCWBBKJBSI-ZDUSSCGKSA-N -1 3 333.367 1.782 20 10 EDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1OC[C@@H]1CCOC1 ZINC000277956737 444069083 /nfs/dbraw/zinc/06/90/83/444069083.db2.gz RUAAEERUQLMMNV-SNVBAGLBSA-N -1 3 340.763 1.778 20 10 EDCDHM CCOC(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1O ZINC000295204382 444170422 /nfs/dbraw/zinc/17/04/22/444170422.db2.gz NXIXLWKJZMZBPB-GFCCVEGCSA-N -1 3 343.401 1.880 20 10 EDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cn(C)nn1 ZINC000289691654 444191232 /nfs/dbraw/zinc/19/12/32/444191232.db2.gz OGRQNDHIRNDTCP-UHFFFAOYSA-N -1 3 339.193 1.946 20 10 EDCDHM C[C@H](CCCCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000295807715 444193131 /nfs/dbraw/zinc/19/31/31/444193131.db2.gz OIDIHSYHEQYBKZ-SNVBAGLBSA-N -1 3 330.406 1.045 20 10 EDCDHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000364390083 445916398 /nfs/dbraw/zinc/91/63/98/445916398.db2.gz OYMJACAAZRTDPN-JTQLQIEISA-N -1 3 333.369 1.798 20 10 EDCDHM O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(O)c1[O-] ZINC000366170927 446057843 /nfs/dbraw/zinc/05/78/43/446057843.db2.gz LPIZDDSGSIEXRH-GFCCVEGCSA-N -1 3 327.340 1.137 20 10 EDCDHM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1cccc(O)c1[O-] ZINC000365553958 446252220 /nfs/dbraw/zinc/25/22/20/446252220.db2.gz IKINTEBJPQVOMP-UHFFFAOYSA-N -1 3 348.380 1.672 20 10 EDCDHM O=C1NC(=O)[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC[C@H]12 ZINC000366568455 446264573 /nfs/dbraw/zinc/26/45/73/446264573.db2.gz WGOHYRWQNXYLIO-VHSXEESVSA-N -1 3 339.735 1.048 20 10 EDCDHM Cc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)c([O-])c1O ZINC000367893410 446604964 /nfs/dbraw/zinc/60/49/64/446604964.db2.gz MGAPGVVJWRNVIG-UHFFFAOYSA-N -1 3 332.400 1.881 20 10 EDCDHM COC(=O)c1cn([C@@H]2CCCN(Cc3cccc(F)c3[O-])C2)nn1 ZINC000372039344 446985483 /nfs/dbraw/zinc/98/54/83/446985483.db2.gz RDMBSIBHDMMIJV-GFCCVEGCSA-N -1 3 334.351 1.747 20 10 EDCDHM Cc1cccnc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000729540317 578581118 /nfs/dbraw/zinc/58/11/18/578581118.db2.gz DQUHRASDXXAFHM-UHFFFAOYSA-N -1 3 335.385 1.397 20 10 EDCDHM CNS(=O)(=O)c1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731878568 578682020 /nfs/dbraw/zinc/68/20/20/578682020.db2.gz YWLAHXQZJOOSSV-UHFFFAOYSA-N -1 3 326.399 1.292 20 10 EDCDHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732264426 578700648 /nfs/dbraw/zinc/70/06/48/578700648.db2.gz REPDEZKHDHFSFE-OAHLLOKOSA-N -1 3 345.424 1.438 20 10 EDCDHM CCOc1cc(C)nc(N2CCN(C(=O)c3cc([O-])cs3)CC2)n1 ZINC000732287871 578703132 /nfs/dbraw/zinc/70/31/32/578703132.db2.gz DBMVFSAIMHPUJK-UHFFFAOYSA-N -1 3 348.428 1.913 20 10 EDCDHM CO[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000753341239 579877426 /nfs/dbraw/zinc/87/74/26/579877426.db2.gz GPMKKTHVKPQVJL-STQMWFEESA-N -1 3 342.417 1.307 20 10 EDCDHM COc1cccc([O-])c1CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000768215018 580209080 /nfs/dbraw/zinc/20/90/80/580209080.db2.gz OCVARJAZUWDFSG-UHFFFAOYSA-N -1 3 347.459 1.531 20 10 EDCDHM CCCN(Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCS(=O)(=O)C1 ZINC000768440591 580212826 /nfs/dbraw/zinc/21/28/26/580212826.db2.gz AIKNDUMZAVNUFH-IUODEOHRSA-N -1 3 341.429 1.217 20 10 EDCDHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(Cl)ccc1[O-] ZINC000780784396 580533584 /nfs/dbraw/zinc/53/35/84/580533584.db2.gz WHOQKQQSJHCIQI-GXFFZTMASA-N -1 3 341.791 1.972 20 10 EDCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])[C@H](C(=O)OC)C1 ZINC000780784397 580533604 /nfs/dbraw/zinc/53/36/04/580533604.db2.gz WHOQKQQSJHCIQI-MFKMUULPSA-N -1 3 341.791 1.972 20 10 EDCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ncc[nH]1 ZINC000785420802 580643499 /nfs/dbraw/zinc/64/34/99/580643499.db2.gz DJMBRLSPUSXGNN-NSHDSACASA-N -1 3 338.389 1.368 20 10 EDCDHM COC(=O)c1cc2ccccc2c(CN2C[C@@H]3COC[C@H](C2)O3)c1[O-] ZINC000800864725 581060295 /nfs/dbraw/zinc/06/02/95/581060295.db2.gz ZEHMNFTYZRONON-OKILXGFUSA-N -1 3 343.379 1.932 20 10 EDCDHM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892817211 591192125 /nfs/dbraw/zinc/19/21/25/591192125.db2.gz BOFZKZULGUGMED-OLZOCXBDSA-N -1 3 339.823 1.708 20 10 EDCDHM C[C@@H](O)CN1CCN(C(=O)c2cc3cc(O)c([O-])cc3s2)CC1 ZINC000896207734 591384986 /nfs/dbraw/zinc/38/49/86/591384986.db2.gz RHJRCZOMOOACSH-SNVBAGLBSA-N -1 3 336.413 1.451 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccncc3C2)c1 ZINC000816581142 593532826 /nfs/dbraw/zinc/53/28/26/593532826.db2.gz JTBZGDMNQNTPPS-UHFFFAOYSA-N -1 3 333.369 1.315 20 10 EDCDHM CN(C)c1ccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821611170 593880306 /nfs/dbraw/zinc/88/03/06/593880306.db2.gz UJQMMSQACCYYPW-UHFFFAOYSA-N -1 3 339.403 1.543 20 10 EDCDHM CN(C)c1ccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821611170 593880309 /nfs/dbraw/zinc/88/03/09/593880309.db2.gz UJQMMSQACCYYPW-UHFFFAOYSA-N -1 3 339.403 1.543 20 10 EDCDHM COc1ccc(C=C2SC(=S)N(C)C2=O)cc1-c1nnn[n-]1 ZINC000821786275 593939364 /nfs/dbraw/zinc/93/93/64/593939364.db2.gz CIWWUYRGSMAUBJ-UXBLZVDNSA-N -1 3 333.398 1.706 20 10 EDCDHM COc1ccc(C=C2SC(=S)N(C)C2=O)cc1-c1nn[n-]n1 ZINC000821786275 593939365 /nfs/dbraw/zinc/93/93/65/593939365.db2.gz CIWWUYRGSMAUBJ-UXBLZVDNSA-N -1 3 333.398 1.706 20 10 EDCDHM CN1CCC[C@H](N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)C1 ZINC000825862988 594264721 /nfs/dbraw/zinc/26/47/21/594264721.db2.gz LCQLUNSVHCDFAW-LBPRGKRZSA-N -1 3 337.395 1.089 20 10 EDCDHM [O-]c1cc(Br)ccc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000826139796 594343372 /nfs/dbraw/zinc/34/33/72/594343372.db2.gz OLOKMTVLNZRVAS-CYBMUJFWSA-N -1 3 327.222 1.406 20 10 EDCDHM Cc1cc([O-])c(CN2CCN(CC(=O)NC(C)C)CC2)c(Cl)c1 ZINC000840909229 594826221 /nfs/dbraw/zinc/82/62/21/594826221.db2.gz DECMSZGCODUHDI-UHFFFAOYSA-N -1 3 339.867 1.996 20 10 EDCDHM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000841892622 594975452 /nfs/dbraw/zinc/97/54/52/594975452.db2.gz OLQMXGNPLIINPR-ZDUSSCGKSA-N -1 3 340.807 1.608 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](N3CCNCC3=O)C2)c1[O-] ZINC000843369835 595090336 /nfs/dbraw/zinc/09/03/36/595090336.db2.gz WJBHJJQQLHRYQR-OAHLLOKOSA-N -1 3 349.406 1.130 20 10 EDCDHM COCC[C@H]1CCCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846259670 595188988 /nfs/dbraw/zinc/18/89/88/595188988.db2.gz SSJLXOYDPZYXCW-GFCCVEGCSA-N -1 3 348.403 1.772 20 10 EDCDHM O=C(Cn1nc2n(c1=O)CCCC2)NCc1cc(Cl)ccc1[O-] ZINC000846475682 595244901 /nfs/dbraw/zinc/24/49/01/595244901.db2.gz FHPSXXVYFDZCIG-UHFFFAOYSA-N -1 3 336.779 1.057 20 10 EDCDHM O=C(NCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844041847 595255472 /nfs/dbraw/zinc/25/54/72/595255472.db2.gz TUDIPDKUCLPIAD-CQSZACIVSA-N -1 3 340.379 1.876 20 10 EDCDHM COc1c([O-])c(CN2CCNC[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000843121751 595291912 /nfs/dbraw/zinc/29/19/12/595291912.db2.gz KOAMCSIJFVHJAT-CYBMUJFWSA-N -1 3 347.375 1.189 20 10 EDCDHM NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000848067798 595314220 /nfs/dbraw/zinc/31/42/20/595314220.db2.gz CEWMWFZGFMHXEP-UWVGGRQHSA-N -1 3 327.178 1.282 20 10 EDCDHM CN1CCN(C(=O)CNCc2c([O-])cccc2Br)CC1 ZINC000858118151 595703277 /nfs/dbraw/zinc/70/32/77/595703277.db2.gz PYDVTNZLCIPKBF-UHFFFAOYSA-N -1 3 342.237 1.018 20 10 EDCDHM CC(C)(C(=O)NCc1ccc2cccnc2c1[O-])S(=O)(=O)C1CC1 ZINC000862026022 596185809 /nfs/dbraw/zinc/18/58/09/596185809.db2.gz FGRUPXSVLJKETO-UHFFFAOYSA-N -1 3 348.424 1.912 20 10 EDCDHM CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000862028258 596186871 /nfs/dbraw/zinc/18/68/71/596186871.db2.gz VUYKHCDBYSIWAD-OAHLLOKOSA-N -1 3 327.384 1.958 20 10 EDCDHM COCCN(CC(=O)N(C)C)Cc1c([O-])cccc1Br ZINC000862227227 596280666 /nfs/dbraw/zinc/28/06/66/596280666.db2.gz XNTULMUVRWILHB-UHFFFAOYSA-N -1 3 345.237 1.691 20 10 EDCDHM COC(=O)C[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862368955 596313004 /nfs/dbraw/zinc/31/30/04/596313004.db2.gz NVDCFVQRAVPMID-SNVBAGLBSA-N -1 3 344.205 1.919 20 10 EDCDHM [O-]c1cccc(Br)c1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000862401415 596321903 /nfs/dbraw/zinc/32/19/03/596321903.db2.gz DKUPAQSWAOBAEE-WDEREUQCSA-N -1 3 327.222 1.406 20 10 EDCDHM CS(C)(=O)=NS(=O)(=O)[N-]CCCSc1nccs1 ZINC000866782625 596342204 /nfs/dbraw/zinc/34/22/04/596342204.db2.gz WMAVQBFIQBSWCR-UHFFFAOYSA-N -1 3 329.494 1.187 20 10 EDCDHM C[C@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000863124654 596504017 /nfs/dbraw/zinc/50/40/17/596504017.db2.gz ZFYRCRNWZWHECB-CDMJZVDBSA-N -1 3 338.429 1.930 20 10 EDCDHM O=C(CCc1cn[nH]n1)NCc1cccc(Br)c1[O-] ZINC000867830785 596576706 /nfs/dbraw/zinc/57/67/06/596576706.db2.gz IRJOERBSHPTIFZ-UHFFFAOYSA-N -1 3 325.166 1.522 20 10 EDCDHM O=C(CCc1c[nH]nn1)NCc1cccc(Br)c1[O-] ZINC000867830785 596576707 /nfs/dbraw/zinc/57/67/07/596576707.db2.gz IRJOERBSHPTIFZ-UHFFFAOYSA-N -1 3 325.166 1.522 20 10 EDCDHM C[C@H]1C[C@H](NCc2ccc(F)c(F)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000877070688 597426079 /nfs/dbraw/zinc/42/60/79/597426079.db2.gz SIQGPPYNPIZRIZ-ZANVPECISA-N -1 3 336.342 1.688 20 10 EDCDHM CCON(C)C(=O)CNCc1cc(Br)cc(F)c1[O-] ZINC000883158901 597671746 /nfs/dbraw/zinc/67/17/46/597671746.db2.gz UYKSAFAGVDKMMN-UHFFFAOYSA-N -1 3 335.173 1.793 20 10 EDCDHM CN(C(=O)C=Cc1cnn(C)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569260 606963027 /nfs/dbraw/zinc/96/30/27/606963027.db2.gz CXPFNZCBGMZUDH-UTCJRWHESA-N -1 3 343.778 1.930 20 10 EDCDHM CN(C(=O)C=Cc1cnn(C)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569260 606963030 /nfs/dbraw/zinc/96/30/30/606963030.db2.gz CXPFNZCBGMZUDH-UTCJRWHESA-N -1 3 343.778 1.930 20 10 EDCDHM COCCO[C@H]1COCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922070657 709567937 /nfs/dbraw/zinc/56/79/37/709567937.db2.gz KRLCNTALYVIBOK-ZFWWWQNUSA-N -1 3 342.367 1.151 20 10 EDCDHM CN(CC(=O)NCCCN1CCCCCC1=O)Cc1ccccc1[O-] ZINC000111235025 529833619 /nfs/dbraw/zinc/83/36/19/529833619.db2.gz VQLNSEKYTGPEAO-UHFFFAOYSA-N -1 3 347.459 1.733 20 10 EDCDHM COc1c([O-])c(CN2CCC(NC(=O)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000373203259 250233603 /nfs/dbraw/zinc/23/36/03/250233603.db2.gz FOAAGPUPCLDATC-UHFFFAOYSA-N -1 3 349.387 1.800 20 10 EDCDHM CC(C)COCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055184695 441626219 /nfs/dbraw/zinc/62/62/19/441626219.db2.gz RBNDSPUWCCNPKH-UHFFFAOYSA-N -1 3 344.433 1.556 20 10 EDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CNCCO1 ZINC000162525733 442100879 /nfs/dbraw/zinc/10/08/79/442100879.db2.gz LIGRXGGPAFVJPS-ZDUSSCGKSA-N -1 3 343.221 1.492 20 10 EDCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCS1(=O)=O ZINC000127813851 442226849 /nfs/dbraw/zinc/22/68/49/442226849.db2.gz KTSBVGMLMGOGQV-VIFPVBQESA-N -1 3 334.235 1.774 20 10 EDCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C ZINC000153752435 442300132 /nfs/dbraw/zinc/30/01/32/442300132.db2.gz CFOLXGIHMMXOLQ-MNOVXSKESA-N -1 3 326.418 1.882 20 10 EDCDHM CCN(CC)C(=O)CN1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179923203 442520312 /nfs/dbraw/zinc/52/03/12/442520312.db2.gz RQJZWECIQMYAGI-UHFFFAOYSA-N -1 3 337.439 1.907 20 10 EDCDHM CCNC(=O)N1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184675753 443058145 /nfs/dbraw/zinc/05/81/45/443058145.db2.gz JEHRNOMFJMCQIN-UHFFFAOYSA-N -1 3 327.812 1.901 20 10 EDCDHM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000272715444 443419175 /nfs/dbraw/zinc/41/91/75/443419175.db2.gz FYIOLVVESPACQW-KGLIPLIRSA-N -1 3 335.400 1.798 20 10 EDCDHM C[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271318337 443501186 /nfs/dbraw/zinc/50/11/86/443501186.db2.gz YHRYFGBWWKYSNA-VHSXEESVSA-N -1 3 328.390 1.061 20 10 EDCDHM C[C@@H](CONC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000279894304 443635650 /nfs/dbraw/zinc/63/56/50/443635650.db2.gz TVADOFZVQALOMW-VIFPVBQESA-N -1 3 326.349 1.672 20 10 EDCDHM O=C(C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000275081983 443620473 /nfs/dbraw/zinc/62/04/73/443620473.db2.gz DZFBEVUIICGAGL-NSHDSACASA-N -1 3 331.324 1.805 20 10 EDCDHM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(O)c1[O-] ZINC000288365386 443857126 /nfs/dbraw/zinc/85/71/26/443857126.db2.gz JNWFUSXBMTUTDQ-LBPRGKRZSA-N -1 3 333.388 1.508 20 10 EDCDHM CCOC1CC(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000293523031 444042413 /nfs/dbraw/zinc/04/24/13/444042413.db2.gz SXIFSHSIUSNUON-UHFFFAOYSA-N -1 3 342.417 1.403 20 10 EDCDHM NC(=O)c1ncn([C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000364671818 445943762 /nfs/dbraw/zinc/94/37/62/445943762.db2.gz IQUHTKMXPWNJPK-LBPRGKRZSA-N -1 3 335.795 1.573 20 10 EDCDHM NC(=O)c1ncn([C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000364671817 445942566 /nfs/dbraw/zinc/94/25/66/445942566.db2.gz IQUHTKMXPWNJPK-GFCCVEGCSA-N -1 3 335.795 1.573 20 10 EDCDHM O=S(=O)(C1CN(Cc2ccccc2[O-])C1)N1CCc2ccccc21 ZINC000369378681 446113522 /nfs/dbraw/zinc/11/35/22/446113522.db2.gz HTBVANOSNHKRED-UHFFFAOYSA-N -1 3 344.436 1.969 20 10 EDCDHM COC(=O)[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc2O1 ZINC000492521744 448231956 /nfs/dbraw/zinc/23/19/56/448231956.db2.gz RBPINBAYEJCQPY-FYCOFBDGSA-N -1 3 340.335 1.768 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](CO)C2)c1 ZINC000298125661 525222197 /nfs/dbraw/zinc/22/21/97/525222197.db2.gz AFQNAIBEXAXIBG-WDEREUQCSA-N -1 3 342.417 1.045 20 10 EDCDHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000760141436 580024222 /nfs/dbraw/zinc/02/42/22/580024222.db2.gz UDQVFORYFXIKIZ-WDEREUQCSA-N -1 3 342.417 1.309 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cnccn1 ZINC000777828149 580451484 /nfs/dbraw/zinc/45/14/84/580451484.db2.gz IOVGHGZBRABMKM-UHFFFAOYSA-N -1 3 335.747 1.651 20 10 EDCDHM COCC(=O)Nc1cccc(CNC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000751532676 579811931 /nfs/dbraw/zinc/81/19/31/579811931.db2.gz DCYGYCABBPXJQH-UHFFFAOYSA-N -1 3 344.367 1.921 20 10 EDCDHM CCN(Cc1nc(=O)n(C)[n-]1)Cc1cc(Br)ccc1O ZINC000754051765 579894950 /nfs/dbraw/zinc/89/49/50/579894950.db2.gz VOMXAMXVBSNWIK-UHFFFAOYSA-N -1 3 341.209 1.599 20 10 EDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H](C(F)(F)F)O1 ZINC000768464929 580214052 /nfs/dbraw/zinc/21/40/52/580214052.db2.gz CKFBQNCQUQBHND-XOZVTBISSA-N -1 3 333.306 1.970 20 10 EDCDHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769673396 580242487 /nfs/dbraw/zinc/24/24/87/580242487.db2.gz GEJFKPZAFNEFHN-ZJUUUORDSA-N -1 3 328.390 1.013 20 10 EDCDHM COC(=O)C[C@@]1(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])CCOC1 ZINC000775067625 580382076 /nfs/dbraw/zinc/38/20/76/580382076.db2.gz DDPITVFVPGNXRC-HNNXBMFYSA-N -1 3 340.332 1.121 20 10 EDCDHM O=C(c1cc([O-])cs1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000778507725 580466608 /nfs/dbraw/zinc/46/66/08/580466608.db2.gz DJHMZCOPPIQATE-ZDUSSCGKSA-N -1 3 326.418 1.017 20 10 EDCDHM Cc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)C2)c([O-])c1O ZINC000780998000 580539855 /nfs/dbraw/zinc/53/98/55/580539855.db2.gz XLBPQKKSLQNNRU-UHFFFAOYSA-N -1 3 326.352 1.848 20 10 EDCDHM Cc1ccc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)c([O-])c1O ZINC000782775637 580584851 /nfs/dbraw/zinc/58/48/51/580584851.db2.gz GWVXUYJYMAAUBI-UHFFFAOYSA-N -1 3 335.404 1.624 20 10 EDCDHM COC[C@@](C)(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000789903741 580756524 /nfs/dbraw/zinc/75/65/24/580756524.db2.gz KVXHLSVGPUBVHY-MRXNPFEDSA-N -1 3 326.368 1.242 20 10 EDCDHM CC(C)c1nc([C@H]2COCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000790918550 580781286 /nfs/dbraw/zinc/78/12/86/580781286.db2.gz LXKULSAIZRLQEN-LLVKDONJSA-N -1 3 333.344 1.818 20 10 EDCDHM NC(=O)CN1CCc2ccc(NC(=O)c3cc([O-])cs3)cc2C1 ZINC000791024994 580783122 /nfs/dbraw/zinc/78/31/22/580783122.db2.gz HORWWUGJRQHOGQ-UHFFFAOYSA-N -1 3 331.397 1.549 20 10 EDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@]2(CCOC2)O1 ZINC000794700800 580903444 /nfs/dbraw/zinc/90/34/44/580903444.db2.gz HTBVHFCEBMOPKZ-RPVQJOFSSA-N -1 3 335.400 1.588 20 10 EDCDHM CNC(=O)CCCC(=O)NCc1cc(Br)ccc1[O-] ZINC000804737005 590756414 /nfs/dbraw/zinc/75/64/14/590756414.db2.gz IDPIYPLNZVOPFO-UHFFFAOYSA-N -1 3 329.194 1.687 20 10 EDCDHM O=C1NCC2(CCOCC2)[C@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000895768193 591268556 /nfs/dbraw/zinc/26/85/56/591268556.db2.gz FZBSGPWATNJBKN-ZDUSSCGKSA-N -1 3 328.771 1.570 20 10 EDCDHM NC(=O)[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000726963652 591536173 /nfs/dbraw/zinc/53/61/73/591536173.db2.gz KVUDIIFMLVJFKN-KRWDZBQOSA-N -1 3 326.352 1.978 20 10 EDCDHM CN1CC[C@@H](CNC(=O)c2cc3cc(O)c([O-])cc3s2)CC1=O ZINC000898009477 591745745 /nfs/dbraw/zinc/74/57/45/591745745.db2.gz QPUMVHFJKGVBQQ-SECBINFHSA-N -1 3 334.397 1.911 20 10 EDCDHM CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)N(C)C)cc1 ZINC000899854951 591964531 /nfs/dbraw/zinc/96/45/31/591964531.db2.gz QNGXEEAXZJVHKB-XHSDSOJGSA-N -1 3 347.459 1.828 20 10 EDCDHM Cn1nccc1[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000902573765 592017487 /nfs/dbraw/zinc/01/74/87/592017487.db2.gz AQTDPTRTOMOACZ-WBVHZDCISA-N -1 3 331.372 1.125 20 10 EDCDHM C[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1c([O-])cccc1F ZINC000903225675 592137466 /nfs/dbraw/zinc/13/74/66/592137466.db2.gz HELJHNAVUDFJNW-VIFPVBQESA-N -1 3 338.426 1.239 20 10 EDCDHM Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000734558773 592965100 /nfs/dbraw/zinc/96/51/00/592965100.db2.gz WWCKVHYTRFQJET-UHFFFAOYSA-N -1 3 341.411 1.813 20 10 EDCDHM C[NH+](C)CC1(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC000911359567 593005445 /nfs/dbraw/zinc/00/54/45/593005445.db2.gz AUXDHPAPXLGWKI-UHFFFAOYSA-N -1 3 340.807 1.801 20 10 EDCDHM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000807690660 593190963 /nfs/dbraw/zinc/19/09/63/593190963.db2.gz DTUZTSDVVICAGQ-KOLCDFICSA-N -1 3 332.447 1.292 20 10 EDCDHM O=S1(=O)CCN(Cc2ccc3ccccc3c2[O-])[C@@H]2CCOC[C@@H]21 ZINC000839187911 593273112 /nfs/dbraw/zinc/27/31/12/593273112.db2.gz ZCRBTRZRDHVLLC-SJORKVTESA-N -1 3 347.436 1.933 20 10 EDCDHM Cn1ccnc1CNC(=O)NCc1cc(Br)ccc1[O-] ZINC000805136430 593366012 /nfs/dbraw/zinc/36/60/12/593366012.db2.gz JEIQTBJCYQRDIH-UHFFFAOYSA-N -1 3 339.193 1.888 20 10 EDCDHM CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000839791377 593405323 /nfs/dbraw/zinc/40/53/23/593405323.db2.gz JSSPKWOTUCXDMT-NSHDSACASA-N -1 3 342.417 1.819 20 10 EDCDHM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000819552678 593758583 /nfs/dbraw/zinc/75/85/83/593758583.db2.gz SSKUXEICVLAEDQ-JTQLQIEISA-N -1 3 340.376 1.055 20 10 EDCDHM CC(C)N1C(=O)CC[C@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000823769089 593854566 /nfs/dbraw/zinc/85/45/66/593854566.db2.gz JCHIPSRRQWYTOR-AWEZNQCLSA-N -1 3 327.384 1.956 20 10 EDCDHM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2cc(Cl)ccc2[O-])C1 ZINC000823987514 593902042 /nfs/dbraw/zinc/90/20/42/593902042.db2.gz SUJZBXKWNXXZEV-HNNXBMFYSA-N -1 3 348.790 1.897 20 10 EDCDHM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc([O-])cs1 ZINC000821011332 593945232 /nfs/dbraw/zinc/94/52/32/593945232.db2.gz IWRXFSDDSZFTHE-SNVBAGLBSA-N -1 3 330.406 1.411 20 10 EDCDHM CN(Cc1ccccc1O)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825981082 594296632 /nfs/dbraw/zinc/29/66/32/594296632.db2.gz OIKZJGJFAVYQSD-OAHLLOKOSA-N -1 3 339.355 1.264 20 10 EDCDHM CN(Cc1ccccc1O)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825981082 594296634 /nfs/dbraw/zinc/29/66/34/594296634.db2.gz OIKZJGJFAVYQSD-OAHLLOKOSA-N -1 3 339.355 1.264 20 10 EDCDHM CN1CCCc2cc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)ccc21 ZINC000826034283 594311622 /nfs/dbraw/zinc/31/16/22/594311622.db2.gz PKIGIFHMXPAPAH-UHFFFAOYSA-N -1 3 337.387 1.507 20 10 EDCDHM CN1CCCc2cc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)ccc21 ZINC000826034283 594311624 /nfs/dbraw/zinc/31/16/24/594311624.db2.gz PKIGIFHMXPAPAH-UHFFFAOYSA-N -1 3 337.387 1.507 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC1(O)CCC1 ZINC000828519669 594443870 /nfs/dbraw/zinc/44/38/70/594443870.db2.gz XLVLQKJBPRQXMZ-UHFFFAOYSA-N -1 3 341.791 1.852 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H](O)C1CCC1 ZINC000828519024 594443877 /nfs/dbraw/zinc/44/38/77/594443877.db2.gz AZIPEOVHDPBMCE-OAHLLOKOSA-N -1 3 341.791 1.708 20 10 EDCDHM COc1cnccc1N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000831025455 594540377 /nfs/dbraw/zinc/54/03/77/594540377.db2.gz ZOJUFRFQIRGMHR-UHFFFAOYSA-N -1 3 347.346 1.603 20 10 EDCDHM COC[C@H]1C(=O)N[C@H](c2cc(Br)cc(OC)c2[O-])N1C ZINC000840829060 594818856 /nfs/dbraw/zinc/81/88/56/594818856.db2.gz MUXBEMLQKOQPSQ-CABZTGNLSA-N -1 3 345.193 1.239 20 10 EDCDHM CCS(=O)(=O)N1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840909206 594826135 /nfs/dbraw/zinc/82/61/35/594826135.db2.gz CDYYJZMRNZRKCC-UHFFFAOYSA-N -1 3 332.853 1.821 20 10 EDCDHM Cc1ccc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)c([O-])c1O ZINC000836968803 595018958 /nfs/dbraw/zinc/01/89/58/595018958.db2.gz BGSLYNWCKANOBK-ZDUSSCGKSA-N -1 3 342.395 1.883 20 10 EDCDHM C[C@H]1CC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])O1 ZINC000837283071 595073902 /nfs/dbraw/zinc/07/39/02/595073902.db2.gz CDLSFWVPGGUYQC-ONGXEEELSA-N -1 3 328.390 1.061 20 10 EDCDHM Cc1cnc(CCN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)s1 ZINC000846259303 595188829 /nfs/dbraw/zinc/18/88/29/595188829.db2.gz WZFDNJALYPADQP-UHFFFAOYSA-N -1 3 347.400 1.573 20 10 EDCDHM O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000848333715 595361801 /nfs/dbraw/zinc/36/18/01/595361801.db2.gz GUYABWNAKRIYCP-SECBINFHSA-N -1 3 346.305 1.629 20 10 EDCDHM CN1CCN(C)[C@@H](CNC(=O)NCc2cc(Cl)ccc2[O-])C1 ZINC000844968700 595421110 /nfs/dbraw/zinc/42/11/10/595421110.db2.gz YNUWWLRSFNOKMA-ZDUSSCGKSA-N -1 3 326.828 1.091 20 10 EDCDHM COCCN1CC[C@H](NC(=O)NCc2cc(Cl)ccc2[O-])C1 ZINC000845004662 595425737 /nfs/dbraw/zinc/42/57/37/595425737.db2.gz RZPHUMLEVVIDTE-ZDUSSCGKSA-N -1 3 327.812 1.566 20 10 EDCDHM COC[C@]1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000857517982 595541429 /nfs/dbraw/zinc/54/14/29/595541429.db2.gz BPNCZBKYOZQJCS-OAHLLOKOSA-N -1 3 342.417 1.262 20 10 EDCDHM CN(CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccccc1[O-] ZINC000111236381 595731938 /nfs/dbraw/zinc/73/19/38/595731938.db2.gz UQVHBFBKQXAAAZ-INIZCTEOSA-N -1 3 326.396 1.944 20 10 EDCDHM CC(=O)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000854725741 596176425 /nfs/dbraw/zinc/17/64/25/596176425.db2.gz WYPGJCCOBVNHBX-CYBMUJFWSA-N -1 3 340.401 1.347 20 10 EDCDHM COCCN1CN(Cc2c([O-])cccc2Br)CC1=O ZINC000862356681 596307829 /nfs/dbraw/zinc/30/78/29/596307829.db2.gz HBXDIWUWSBUUPN-UHFFFAOYSA-N -1 3 329.194 1.403 20 10 EDCDHM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000862998169 596483154 /nfs/dbraw/zinc/48/31/54/596483154.db2.gz WGOGBOFPKJIEAY-AAEUAGOBSA-N -1 3 337.372 1.494 20 10 EDCDHM Cc1nonc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000871915058 596739193 /nfs/dbraw/zinc/73/91/93/596739193.db2.gz BYPYUWBTWXDRMJ-UHFFFAOYSA-N -1 3 336.735 1.701 20 10 EDCDHM CON(C)C(=O)[C@H](CCSC)NCc1ccc(F)c(F)c1[O-] ZINC000877111894 597435308 /nfs/dbraw/zinc/43/53/08/597435308.db2.gz OFKQSQFWYHOJDD-NSHDSACASA-N -1 3 334.388 1.902 20 10 EDCDHM COc1cccc([O-])c1CN1CCN(CCc2cnccn2)CC1 ZINC000877703575 597548904 /nfs/dbraw/zinc/54/89/04/597548904.db2.gz PGUHXTZKYITYRE-UHFFFAOYSA-N -1 3 328.416 1.551 20 10 EDCDHM COCc1nc([C@H]2COCCN2Cc2cc3c(cc2[O-])OCO3)no1 ZINC000374786850 250272960 /nfs/dbraw/zinc/27/29/60/250272960.db2.gz CHDIHCUKEXQVCN-LLVKDONJSA-N -1 3 349.343 1.224 20 10 EDCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)CN1CCOCC1 ZINC000093583595 441891012 /nfs/dbraw/zinc/89/10/12/441891012.db2.gz HLYPKDSOFXVLEC-CYBMUJFWSA-N -1 3 349.258 1.824 20 10 EDCDHM COC(=O)CN(CCC(=O)NC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000171938168 442392109 /nfs/dbraw/zinc/39/21/09/442392109.db2.gz LGJFGMYEKVQMHY-UHFFFAOYSA-N -1 3 342.823 1.935 20 10 EDCDHM O=C1NC[C@@H]2CN(Cc3cc(Br)ccc3[O-])CCN12 ZINC000156064982 442445409 /nfs/dbraw/zinc/44/54/09/442445409.db2.gz MJTHHGSZSIJKLB-LLVKDONJSA-N -1 3 326.194 1.364 20 10 EDCDHM Cc1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c([O-])c1O ZINC000179493826 442466068 /nfs/dbraw/zinc/46/60/68/442466068.db2.gz XMNDLPLGFNOOQG-CQSZACIVSA-N -1 3 334.416 1.591 20 10 EDCDHM Cc1nc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)cs1 ZINC000186832229 442618688 /nfs/dbraw/zinc/61/86/88/442618688.db2.gz QRJGSQCUVFTINM-UHFFFAOYSA-N -1 3 333.413 1.821 20 10 EDCDHM C[C@H](O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000189842507 443019314 /nfs/dbraw/zinc/01/93/14/443019314.db2.gz 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EDCDHM O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2[n-]nnc21 ZINC000780982546 580539402 /nfs/dbraw/zinc/53/94/02/580539402.db2.gz XDLSIZLWTKPNEO-UHFFFAOYSA-N -1 3 337.383 1.725 20 10 EDCDHM O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2n[n-]nc21 ZINC000780982546 580539403 /nfs/dbraw/zinc/53/94/03/580539403.db2.gz XDLSIZLWTKPNEO-UHFFFAOYSA-N -1 3 337.383 1.725 20 10 EDCDHM Cc1cc(Br)c([O-])c(CNC[C@H]2CC(C(N)=O)=NO2)c1 ZINC000789560319 580749423 /nfs/dbraw/zinc/74/94/23/580749423.db2.gz IOXJCPUISZVICZ-SECBINFHSA-N -1 3 342.193 1.183 20 10 EDCDHM CCOC(=O)C1(COC)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000796214076 580948508 /nfs/dbraw/zinc/94/85/08/580948508.db2.gz CKNIIDINYJYVFW-UHFFFAOYSA-N -1 3 327.402 1.886 20 10 EDCDHM Cc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c([O-])c1O ZINC000798999682 581013521 /nfs/dbraw/zinc/01/35/21/581013521.db2.gz BGQIYBUXSMSJPI-YEBMWUKDSA-N -1 3 349.412 1.086 20 10 EDCDHM COC(=O)c1cc2ccccc2c(CN2CC(=O)N(C)[C@@H](C)C2)c1[O-] ZINC000799955385 581039887 /nfs/dbraw/zinc/03/98/87/581039887.db2.gz 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COC(=O)[C@@H]1CNCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843123857 595292455 /nfs/dbraw/zinc/29/24/55/595292455.db2.gz QPQYGYIBYIRIHR-LBPRGKRZSA-N -1 3 343.767 1.291 20 10 EDCDHM [O-]c1cc2c(cc1CN1CCn3c(CC4CC4)nnc3C1)[C@@H](O)CO2 ZINC000844719180 595382936 /nfs/dbraw/zinc/38/29/36/595382936.db2.gz NCRJMXZHDBVIIC-HNNXBMFYSA-N -1 3 342.399 1.378 20 10 EDCDHM C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000858570174 595831638 /nfs/dbraw/zinc/83/16/38/595831638.db2.gz UOFDHUSKGTWTJS-SECBINFHSA-N -1 3 333.841 1.187 20 10 EDCDHM Cn1cc(CN(CCn2ccnc2)C(=O)c2cc([O-])cs2)cn1 ZINC000854389065 596058561 /nfs/dbraw/zinc/05/85/61/596058561.db2.gz BUBUTIKIQKZILP-UHFFFAOYSA-N -1 3 331.401 1.726 20 10 EDCDHM O=C(CCC(=O)N1CCOCC1)NCc1ccc2cccnc2c1[O-] ZINC000862028748 596186861 /nfs/dbraw/zinc/18/68/61/596186861.db2.gz JMHWKXYOQQMJKA-UHFFFAOYSA-N -1 3 343.383 1.196 20 10 EDCDHM C[C@H](O)CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862239024 596283989 /nfs/dbraw/zinc/28/39/89/596283989.db2.gz 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CNS(=O)(=O)[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079435218 442047106 /nfs/dbraw/zinc/04/71/06/442047106.db2.gz GJUQHWQIIDIIMW-ZDUSSCGKSA-N -1 3 344.408 1.248 20 10 EDCDHM CC(=O)NC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000179707528 442492591 /nfs/dbraw/zinc/49/25/91/442492591.db2.gz ILIXOJUVOLDFHL-CYBMUJFWSA-N -1 3 343.221 1.492 20 10 EDCDHM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(O)c1[O-] ZINC000193143378 442717042 /nfs/dbraw/zinc/71/70/42/442717042.db2.gz XDRVMCHMXJTRMZ-VIFPVBQESA-N -1 3 332.278 1.381 20 10 EDCDHM CCC[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000267192365 443373043 /nfs/dbraw/zinc/37/30/43/443373043.db2.gz PJGADAJAIWVLAR-AWEZNQCLSA-N -1 3 330.406 1.045 20 10 EDCDHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c([O-])c1O ZINC000272708600 443416775 /nfs/dbraw/zinc/41/67/75/443416775.db2.gz DFLJGNMCLOXWLQ-QWHCGFSZSA-N -1 3 341.429 1.834 20 10 EDCDHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c([O-])c1O ZINC000272859422 443469924 /nfs/dbraw/zinc/46/99/24/443469924.db2.gz 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443771134 /nfs/dbraw/zinc/77/11/34/443771134.db2.gz GGROUHXKAJXETR-NEPJUHHUSA-N -1 3 328.840 1.941 20 10 EDCDHM CCN(C)C(=O)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277716028 444029066 /nfs/dbraw/zinc/02/90/66/444029066.db2.gz RTNOVFIIUXRCLT-UHFFFAOYSA-N -1 3 339.779 1.288 20 10 EDCDHM COCCOC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278286445 444130008 /nfs/dbraw/zinc/13/00/08/444130008.db2.gz UGUFVNWJUKIREX-UHFFFAOYSA-N -1 3 340.376 1.936 20 10 EDCDHM COc1c([O-])c(CN2CCC[C@H]2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000278309982 444136232 /nfs/dbraw/zinc/13/62/32/444136232.db2.gz WQCMQSXDQWFWQH-ZDUSSCGKSA-N -1 3 335.360 1.552 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1OCC[C@@H]1C ZINC000294854249 444150742 /nfs/dbraw/zinc/15/07/42/444150742.db2.gz BLZISEUWNFTELW-ZUZCIYMTSA-N -1 3 341.791 1.972 20 10 EDCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295138153 444166503 /nfs/dbraw/zinc/16/65/03/444166503.db2.gz PLVSUCDECAKUNK-JSGCOSHPSA-N -1 3 341.795 1.859 20 10 EDCDHM CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1C[C@H](C)O ZINC000297612365 444308537 /nfs/dbraw/zinc/30/85/37/444308537.db2.gz VRFBDIWNRKSHMP-WDEREUQCSA-N -1 3 326.368 1.154 20 10 EDCDHM Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc[nH]3)CC2)c([O-])c1O ZINC000365008590 445974629 /nfs/dbraw/zinc/97/46/29/445974629.db2.gz CINUUEGRSAFCGJ-UHFFFAOYSA-N -1 3 343.383 1.723 20 10 EDCDHM COc1c([O-])c(CN[C@@H]2COc3ccccc3[C@H]2O)ccc1[N+](=O)[O-] ZINC000367656610 446572184 /nfs/dbraw/zinc/57/21/84/446572184.db2.gz DLCWLRTUHNWIAT-MLGOLLRUSA-N -1 3 346.339 1.893 20 10 EDCDHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccncc3)C2)c([O-])c1O ZINC000367888525 446604752 /nfs/dbraw/zinc/60/47/52/446604752.db2.gz YAIYWQWSKVVJDO-ZDUSSCGKSA-N -1 3 341.367 1.446 20 10 EDCDHM CC(C)OCCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000740928146 579389580 /nfs/dbraw/zinc/38/95/80/579389580.db2.gz GHTWVPFHEXBSQW-UHFFFAOYSA-N -1 3 344.433 1.651 20 10 EDCDHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731868603 578682332 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CCOc1ccc(CN2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c([O-])c1 ZINC000770292848 580257487 /nfs/dbraw/zinc/25/74/87/580257487.db2.gz UVZIHZRGOPARNK-AWEZNQCLSA-N -1 3 333.388 1.259 20 10 EDCDHM COc1ccc(OC)c([C@H](O)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000776329705 580414949 /nfs/dbraw/zinc/41/49/49/580414949.db2.gz DOGLXJICGBLXDK-CQSZACIVSA-N -1 3 333.340 1.578 20 10 EDCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000779069535 580478715 /nfs/dbraw/zinc/47/87/15/580478715.db2.gz TYNXGTYBTLVCET-NSHDSACASA-N -1 3 344.367 1.281 20 10 EDCDHM CC[C@H](CO)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000779826389 580498816 /nfs/dbraw/zinc/49/88/16/580498816.db2.gz FQTCOKWKJMPITO-SNVBAGLBSA-N -1 3 329.780 1.566 20 10 EDCDHM O=C(C1CC1)N1CCCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000780473940 580523868 /nfs/dbraw/zinc/52/38/68/580523868.db2.gz UVXURISHBURKOR-INIZCTEOSA-N -1 3 332.400 1.262 20 10 EDCDHM O=C(NCc1cccc(C(=O)NC2CC2)c1)c1cccc(O)c1[O-] ZINC000790538782 580772506 /nfs/dbraw/zinc/77/25/06/580772506.db2.gz 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CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)CO1 ZINC000846431285 595228798 /nfs/dbraw/zinc/22/87/98/595228798.db2.gz GBGHBRZDPUSLFG-CMPLNLGQSA-N -1 3 342.417 1.403 20 10 EDCDHM COC(=O)[C@H](NC(=O)c1cc([O-])cs1)[C@@H]1CCC[C@H](OC)C1 ZINC000846664882 595295878 /nfs/dbraw/zinc/29/58/78/595295878.db2.gz PUCHVIGBTWAVSO-SUZMYJTESA-N -1 3 327.402 1.930 20 10 EDCDHM C[C@H](NCc1c([O-])cccc1Br)[C@@H]1CN(C)CCO1 ZINC000858151073 595714033 /nfs/dbraw/zinc/71/40/33/595714033.db2.gz RVZWPMKJAUCYDJ-HZMBPMFUSA-N -1 3 329.238 1.963 20 10 EDCDHM C[C@H](NCc1c([O-])cccc1Br)[C@H]1CN(C)CCO1 ZINC000858151074 595714104 /nfs/dbraw/zinc/71/41/04/595714104.db2.gz RVZWPMKJAUCYDJ-IINYFYTJSA-N -1 3 329.238 1.963 20 10 EDCDHM CN(Cc1ccccc1[O-])C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000111235041 595731121 /nfs/dbraw/zinc/73/11/21/595731121.db2.gz MDGHWBAPCNHXDP-QGZVFWFLSA-N -1 3 335.425 1.961 20 10 EDCDHM CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000109769263 595734034 /nfs/dbraw/zinc/73/40/34/595734034.db2.gz IDJWLYNYGOPHPH-UHFFFAOYSA-N -1 3 348.424 1.866 20 10 EDCDHM C[C@H]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])O1 ZINC000855793391 595825544 /nfs/dbraw/zinc/82/55/44/595825544.db2.gz MEDAMMBQMBXDBV-CMPLNLGQSA-N -1 3 342.417 1.451 20 10 EDCDHM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(O)cc1[O-] ZINC000856212822 595926869 /nfs/dbraw/zinc/92/68/69/595926869.db2.gz UFOANVUZIRJZGU-UHFFFAOYSA-N -1 3 342.395 1.989 20 10 EDCDHM O=C(NCc1ccc2cccnc2c1[O-])[C@@H]1CCc2nnnn2CC1 ZINC000862025079 596184961 /nfs/dbraw/zinc/18/49/61/596184961.db2.gz MQTSXIFDMPGRRB-GFCCVEGCSA-N -1 3 338.371 1.196 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c1[O-] ZINC000852531316 596191594 /nfs/dbraw/zinc/19/15/94/596191594.db2.gz ZRFHKGNTQCQIQM-SNVBAGLBSA-N -1 3 344.408 1.200 20 10 EDCDHM CCN(CC)S(=O)(=O)N1CCN(Cc2c(C)cccc2[O-])CC1 ZINC000876554939 597238892 /nfs/dbraw/zinc/23/88/92/597238892.db2.gz KNNISTRYUBVVFD-UHFFFAOYSA-N -1 3 341.477 1.405 20 10 EDCDHM [O-]c1cccc(Br)c1CN1CCC(CO)(CO)CC1 ZINC000877796014 597558125 /nfs/dbraw/zinc/55/81/25/597558125.db2.gz FABNLOJHFPNCOU-UHFFFAOYSA-N -1 3 330.222 1.722 20 10 EDCDHM CC(=O)c1cc(Cl)cc(CN(CC(N)=O)C2CCOCC2)c1[O-] ZINC000880392531 597922077 /nfs/dbraw/zinc/92/20/77/597922077.db2.gz GDRZPSXCBBPHNK-UHFFFAOYSA-N -1 3 340.807 1.715 20 10 EDCDHM COCCOc1ccc(CNC(=O)NCc2c([O-])cccc2F)cn1 ZINC000914107844 695110009 /nfs/dbraw/zinc/11/00/09/695110009.db2.gz RQJCQHUULSGWCA-UHFFFAOYSA-N -1 3 349.362 1.951 20 10 EDCDHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000920031135 697384467 /nfs/dbraw/zinc/38/44/67/697384467.db2.gz YOSCCDVTPUOLLU-WDEREUQCSA-N -1 3 344.408 1.686 20 10 EDCDHM Cc1nsc(N2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000179524041 442471683 /nfs/dbraw/zinc/47/16/83/442471683.db2.gz OESXJEMYYIHBIE-UHFFFAOYSA-N -1 3 348.428 1.919 20 10 EDCDHM O=S(=O)([C@@H]1CCN(Cc2cc(F)ccc2[O-])C1)N1CCCC1 ZINC000180281379 442573255 /nfs/dbraw/zinc/57/32/55/442573255.db2.gz XTEGFMVPGBBQLW-CQSZACIVSA-N -1 3 328.409 1.531 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc(C)n[nH]1 ZINC000181588026 442705317 /nfs/dbraw/zinc/70/53/17/442705317.db2.gz NTGMKZBXLGXOCN-UHFFFAOYSA-N -1 3 337.763 1.893 20 10 EDCDHM Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)c([O-])c1O ZINC000182519794 442780043 /nfs/dbraw/zinc/78/00/43/442780043.db2.gz VPBVFUNPNFFOHY-HNNXBMFYSA-N -1 3 347.459 1.648 20 10 EDCDHM COCCOCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000267466648 443467464 /nfs/dbraw/zinc/46/74/64/443467464.db2.gz VQEXDOGCPXMOSB-UHFFFAOYSA-N -1 3 331.796 1.684 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000279867914 443632802 /nfs/dbraw/zinc/63/28/02/443632802.db2.gz QKJJFSGYLNDGAJ-FZMZJTMJSA-N -1 3 333.340 1.656 20 10 EDCDHM CCOc1ccnc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000274991914 443617409 /nfs/dbraw/zinc/61/74/09/443617409.db2.gz RTMMUFQFKXGVHE-UHFFFAOYSA-N -1 3 344.371 1.249 20 10 EDCDHM CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cccc(O)c3[O-])C2)nn1 ZINC000284720307 443785420 /nfs/dbraw/zinc/78/54/20/443785420.db2.gz SJSWJCBUFMTJBM-KRWDZBQOSA-N -1 3 346.387 1.394 20 10 EDCDHM C[C@H]1CCSCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000276893453 443867783 /nfs/dbraw/zinc/86/77/83/443867783.db2.gz RDZXMMIUQFQRPN-JTQLQIEISA-N -1 3 344.458 1.731 20 10 EDCDHM COc1c([O-])c(CN2CCC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000278231648 444120856 /nfs/dbraw/zinc/12/08/56/444120856.db2.gz MTSGGABGHMGJMO-GFCCVEGCSA-N -1 3 333.348 1.738 20 10 EDCDHM CCCOc1ccc(CN2CCC[C@H](S(=O)(=O)NC)C2)c([O-])c1 ZINC000371324786 446774439 /nfs/dbraw/zinc/77/44/39/446774439.db2.gz ALDONDUYSXQMRB-HNNXBMFYSA-N -1 3 342.461 1.695 20 10 EDCDHM COC(=O)c1cc2ccccc2c(CN2CCS(=O)(=O)CC2)c1[O-] ZINC000728711320 578550968 /nfs/dbraw/zinc/55/09/68/578550968.db2.gz PMULQXSYVWINLP-UHFFFAOYSA-N -1 3 349.408 1.562 20 10 EDCDHM O=C(Nc1nc(CN2CCOCC2)cs1)c1cc([O-])cs1 ZINC000732264001 578700666 /nfs/dbraw/zinc/70/06/66/578700666.db2.gz LCQCMBLTBXNLHH-UHFFFAOYSA-N -1 3 325.415 1.995 20 10 EDCDHM CCOC(=O)C1CCN(C(=O)COC(=O)c2cc([O-])cs2)CC1 ZINC000732354710 578707678 /nfs/dbraw/zinc/70/76/78/578707678.db2.gz RMUWBBNUJYSNRT-UHFFFAOYSA-N -1 3 341.385 1.412 20 10 EDCDHM COc1cc(Cl)cc(CN(C)CCN2CCCS2(=O)=O)c1[O-] ZINC000761201691 580051220 /nfs/dbraw/zinc/05/12/20/580051220.db2.gz CQSGHWXCDRUHSA-UHFFFAOYSA-N -1 3 348.852 1.522 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCSC2)c1 ZINC000748858633 579704428 /nfs/dbraw/zinc/70/44/28/579704428.db2.gz QEFXMULTVWDPDU-SNVBAGLBSA-N -1 3 330.431 1.389 20 10 EDCDHM CO[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000753341236 579877400 /nfs/dbraw/zinc/87/74/00/579877400.db2.gz GPMKKTHVKPQVJL-QWHCGFSZSA-N -1 3 342.417 1.307 20 10 EDCDHM Cc1ccnc(N2CCN(Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)c1 ZINC000768463467 580213931 /nfs/dbraw/zinc/21/39/31/580213931.db2.gz UOUQFHMQDVMQPT-QGZVFWFLSA-N -1 3 341.411 1.844 20 10 EDCDHM COc1c([O-])c(CNCc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-] ZINC000774942481 580378377 /nfs/dbraw/zinc/37/83/77/580378377.db2.gz KQEJUJHBWCYXDN-UHFFFAOYSA-N -1 3 331.328 1.698 20 10 EDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000790707944 580776677 /nfs/dbraw/zinc/77/66/77/580776677.db2.gz SDOXOWQULKJPCM-VIFPVBQESA-N -1 3 332.278 1.333 20 10 EDCDHM COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(O)c1 ZINC000794379621 580889668 /nfs/dbraw/zinc/88/96/68/580889668.db2.gz SAHNGPPKPALCQK-UHFFFAOYSA-N -1 3 326.308 1.214 20 10 EDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@]2(CCOC2)O1 ZINC000794700797 580903459 /nfs/dbraw/zinc/90/34/59/580903459.db2.gz HTBVHFCEBMOPKZ-QBIMZIAESA-N -1 3 335.400 1.588 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000895331667 591717994 /nfs/dbraw/zinc/71/79/94/591717994.db2.gz PRNFLJJWILFYCF-SMDDNHRTSA-N -1 3 330.222 1.781 20 10 EDCDHM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1cc2cc(O)c([O-])cc2s1 ZINC000899277556 591755945 /nfs/dbraw/zinc/75/59/45/591755945.db2.gz NQLBHSIWQBFVHJ-GHMZBOCLSA-N -1 3 337.397 1.972 20 10 EDCDHM O=C(CCCc1ccccc1)NCCNC(=O)c1cccc(O)c1[O-] ZINC000819621522 593761438 /nfs/dbraw/zinc/76/14/38/593761438.db2.gz IJCRWKIQBVQHHR-UHFFFAOYSA-N -1 3 342.395 1.967 20 10 EDCDHM O=C(NCc1cc(Cl)ccc1[O-])[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000824213808 593958090 /nfs/dbraw/zinc/95/80/90/593958090.db2.gz SXTNARMMLAUIKP-CHWSQXEVSA-N -1 3 348.790 1.092 20 10 EDCDHM COc1cc(Br)cc(CN2C[C@@H](O)[C@H](OC)C2)c1[O-] ZINC000825017321 594116688 /nfs/dbraw/zinc/11/66/88/594116688.db2.gz OVQRMLYZOKIADS-ZYHUDNBSSA-N -1 3 332.194 1.355 20 10 EDCDHM COc1c([O-])c(CN(CCO)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000825129822 594133875 /nfs/dbraw/zinc/13/38/75/594133875.db2.gz FZWVDNJXBAXBHO-PWSUYJOCSA-N -1 3 326.349 1.281 20 10 EDCDHM CCOc1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c([O-])c1 ZINC000825201371 594146922 /nfs/dbraw/zinc/14/69/22/594146922.db2.gz JYQQRQGPSARCHO-ZBFHGGJFSA-N -1 3 325.430 1.942 20 10 EDCDHM O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826439561 594477905 /nfs/dbraw/zinc/47/79/05/594477905.db2.gz ZVPQZKGKARGKOS-UHFFFAOYSA-N -1 3 331.357 1.312 20 10 EDCDHM O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826439561 594477906 /nfs/dbraw/zinc/47/79/06/594477906.db2.gz ZVPQZKGKARGKOS-UHFFFAOYSA-N -1 3 331.357 1.312 20 10 EDCDHM CCCn1cc(NC(=O)C(=O)NCc2cc(Cl)ccc2[O-])cn1 ZINC000846122254 595149399 /nfs/dbraw/zinc/14/93/99/595149399.db2.gz SUJHIOBVYZLQCL-UHFFFAOYSA-N -1 3 336.779 1.907 20 10 EDCDHM C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000842938290 595239952 /nfs/dbraw/zinc/23/99/52/595239952.db2.gz QEGGMMYQJKZQSL-YOEHRIQHSA-N -1 3 347.459 1.754 20 10 EDCDHM CCS(=O)(=O)NCCCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846711527 595305241 /nfs/dbraw/zinc/30/52/41/595305241.db2.gz MSZWASGAFVAJHV-UHFFFAOYSA-N -1 3 349.840 1.174 20 10 EDCDHM COc1cccc([O-])c1CNCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000858304462 595759045 /nfs/dbraw/zinc/75/90/45/595759045.db2.gz BHYVPHAOGGBXCE-UHFFFAOYSA-N -1 3 344.367 1.900 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COC3(CCC3)C2)c1 ZINC000855662052 595785881 /nfs/dbraw/zinc/78/58/81/595785881.db2.gz SSMDVUPXVGUVKI-NSHDSACASA-N -1 3 340.401 1.205 20 10 EDCDHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(N2CCOCC2)cc1 ZINC000858786833 595890891 /nfs/dbraw/zinc/89/08/91/595890891.db2.gz VDKPTBXHJBJLCG-GFCCVEGCSA-N -1 3 328.372 1.510 20 10 EDCDHM C[C@@]12CN(Cc3cc(=O)n4ncc(C(=O)[O-])c4[nH]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000851709479 595892464 /nfs/dbraw/zinc/89/24/64/595892464.db2.gz ZKTLCOIRHYMIJB-GRINDBAHSA-N -1 3 340.383 1.777 20 10 EDCDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)Nc1cnccn1 ZINC000851841720 595943624 /nfs/dbraw/zinc/94/36/24/595943624.db2.gz XIYAFTWYGLJFDE-HNNXBMFYSA-N -1 3 342.399 1.802 20 10 EDCDHM O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000851843957 595944193 /nfs/dbraw/zinc/94/41/93/595944193.db2.gz MGHYQRSGAGHVPI-UHFFFAOYSA-N -1 3 347.440 1.521 20 10 EDCDHM CO[C@@H](C(=O)NCc1cc(Br)ccc1[O-])[C@@H]1CCOC1 ZINC000854442421 596081318 /nfs/dbraw/zinc/08/13/18/596081318.db2.gz RJQWTFHUBOARNN-NOZJJQNGSA-N -1 3 344.205 1.822 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000863284752 596538214 /nfs/dbraw/zinc/53/82/14/596538214.db2.gz CYBYOPWMAJANTO-SMDDNHRTSA-N -1 3 340.401 1.061 20 10 EDCDHM COc1cccc([O-])c1CN1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC000877745933 597552545 /nfs/dbraw/zinc/55/25/45/597552545.db2.gz OVZFKUOKGOSDFF-UHFFFAOYSA-N -1 3 340.387 1.409 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CF)C2)c1 ZINC000881594022 597655397 /nfs/dbraw/zinc/65/53/97/597655397.db2.gz GQEDNMMKIFTMQN-JTQLQIEISA-N -1 3 330.381 1.585 20 10 EDCDHM O=C(NCCS(=O)(=O)CC1CC1)NCc1c([O-])cccc1F ZINC000921518925 703352912 /nfs/dbraw/zinc/35/29/12/703352912.db2.gz APDLQCYUPNTRNZ-UHFFFAOYSA-N -1 3 330.381 1.155 20 10 EDCDHM Cn1cc(-c2nc([C@@H]3COCCN3Cc3ccccc3[O-])no2)cn1 ZINC000378558246 447440959 /nfs/dbraw/zinc/44/09/59/447440959.db2.gz LSSIPTTXVZTBOD-AWEZNQCLSA-N -1 3 341.371 1.749 20 10 EDCDHM Cn1cc(-c2nc([C@H]3COCCN3Cc3ccccc3[O-])no2)cn1 ZINC000378558247 447441354 /nfs/dbraw/zinc/44/13/54/447441354.db2.gz LSSIPTTXVZTBOD-CQSZACIVSA-N -1 3 341.371 1.749 20 10 EDCDHM CC(C)NS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000091897605 441751237 /nfs/dbraw/zinc/75/12/37/441751237.db2.gz KQSVBBSYVQSVFO-ZDUSSCGKSA-N -1 3 332.853 1.948 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000171304510 442340704 /nfs/dbraw/zinc/34/07/04/442340704.db2.gz VAQLHWNNRZGXGS-QJPTWQEYSA-N -1 3 338.429 1.930 20 10 EDCDHM CN(C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269324 442463110 /nfs/dbraw/zinc/46/31/10/442463110.db2.gz XRSIIDOOPIKOMO-AWEZNQCLSA-N -1 3 325.840 1.688 20 10 EDCDHM CN1CCN([C@@H]2CCCCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000187142312 442655507 /nfs/dbraw/zinc/65/55/07/442655507.db2.gz KLZUTSWEFYCJEP-CQSZACIVSA-N -1 3 333.432 1.340 20 10 EDCDHM COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000278461162 443338881 /nfs/dbraw/zinc/33/88/81/443338881.db2.gz ZYFQGNDFQNOXFC-CMPLNLGQSA-N -1 3 338.360 1.940 20 10 EDCDHM CCS(=O)(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278892015 443472963 /nfs/dbraw/zinc/47/29/63/443472963.db2.gz PVXOUJWTXDEYJJ-VIFPVBQESA-N -1 3 332.378 1.222 20 10 EDCDHM CC1(C)COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271303684 443500083 /nfs/dbraw/zinc/50/00/83/443500083.db2.gz VBPKAASAKSHHMQ-UHFFFAOYSA-N -1 3 328.390 1.015 20 10 EDCDHM CSCC[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271358499 443502062 /nfs/dbraw/zinc/50/20/62/443502062.db2.gz IHPOSSDWASWTJF-JTQLQIEISA-N -1 3 346.474 1.977 20 10 EDCDHM C[C@H]1C[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271275757 443498584 /nfs/dbraw/zinc/49/85/84/443498584.db2.gz BLVDHNHBYGWNAF-QWRGUYRKSA-N -1 3 342.417 1.309 20 10 EDCDHM CCN(C1CCN(Cc2cccc(F)c2[O-])CC1)S(C)(=O)=O ZINC000272322079 443592005 /nfs/dbraw/zinc/59/20/05/443592005.db2.gz UOEIDSNMJSUTRJ-UHFFFAOYSA-N -1 3 330.425 1.777 20 10 EDCDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1 ZINC000277902641 444063496 /nfs/dbraw/zinc/06/34/96/444063496.db2.gz RHHPVHDELMGYDK-JTQLQIEISA-N -1 3 344.458 1.731 20 10 EDCDHM CC[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278140016 444103744 /nfs/dbraw/zinc/10/37/44/444103744.db2.gz ATYBDSKCQWXXGS-ZDUSSCGKSA-N -1 3 339.392 1.198 20 10 EDCDHM CNS(=O)(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295066927 444165680 /nfs/dbraw/zinc/16/56/80/444165680.db2.gz AMMVCJVEZBDNKF-UHFFFAOYSA-N -1 3 336.816 1.698 20 10 EDCDHM NC(=O)[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000360072452 445554585 /nfs/dbraw/zinc/55/45/85/445554585.db2.gz CDISTCZOFLRPNX-AMIZOPFISA-N -1 3 346.305 1.749 20 10 EDCDHM CC[C@@H](c1ccccc1[O-])N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000373612608 446281558 /nfs/dbraw/zinc/28/15/58/446281558.db2.gz ZTBSNLSLUFKDTN-ZBFHGGJFSA-N -1 3 338.473 1.648 20 10 EDCDHM CN(C)S(=O)(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000368226903 446722498 /nfs/dbraw/zinc/72/24/98/446722498.db2.gz OHPJXKNAGGPQLG-UHFFFAOYSA-N -1 3 347.868 1.360 20 10 EDCDHM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3cc([O-])cs3)C2)no1 ZINC000743692829 579488881 /nfs/dbraw/zinc/48/88/81/579488881.db2.gz CQYPINDCHSCVMV-LLVKDONJSA-N -1 3 336.417 1.882 20 10 EDCDHM CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732290499 578703470 /nfs/dbraw/zinc/70/34/70/578703470.db2.gz SALWMSSUJAYYRU-UHFFFAOYSA-N -1 3 332.447 1.340 20 10 EDCDHM COC(=O)[C@H](O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000749535659 579729805 /nfs/dbraw/zinc/72/98/05/579729805.db2.gz TVXBMBKSJFZJMX-MRXNPFEDSA-N -1 3 339.363 1.480 20 10 EDCDHM [O-]c1cc2c(cc1CN1CCN(c3ccccc3O)CC1)[C@H](O)CO2 ZINC000768442517 580212921 /nfs/dbraw/zinc/21/29/21/580212921.db2.gz RRDPBYKSKNIPCD-GOSISDBHSA-N -1 3 342.395 1.846 20 10 EDCDHM COc1cccc([O-])c1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000769541547 580239682 /nfs/dbraw/zinc/23/96/82/580239682.db2.gz CXLRVULKTHGPDR-HNNXBMFYSA-N -1 3 347.459 1.529 20 10 EDCDHM CC[C@@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769864885 580247368 /nfs/dbraw/zinc/24/73/68/580247368.db2.gz 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COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc([O-])cs1)CCO2 ZINC000899677269 591896563 /nfs/dbraw/zinc/89/65/63/591896563.db2.gz ASDJJEWDSCJLBD-KGXJWFGYSA-N -1 3 325.386 1.684 20 10 EDCDHM CN1CCCc2cc(CNC(=O)CN3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC000911302081 592984485 /nfs/dbraw/zinc/98/44/85/592984485.db2.gz VAGZYQYWBLRUNB-MRXNPFEDSA-N -1 3 345.443 1.482 20 10 EDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000807899913 593207417 /nfs/dbraw/zinc/20/74/17/593207417.db2.gz QZOPONPRWGJKEW-SNVBAGLBSA-N -1 3 344.458 1.388 20 10 EDCDHM CSCC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(=O)N(C)C ZINC000808438291 593258742 /nfs/dbraw/zinc/25/87/42/593258742.db2.gz BFZWAOBNBTXVJF-LBPRGKRZSA-N -1 3 327.406 1.600 20 10 EDCDHM C[C@@H]1CSC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804504059 593420062 /nfs/dbraw/zinc/42/00/62/593420062.db2.gz OWVDHMHVBRBDQV-KCJUWKMLSA-N -1 3 330.431 1.245 20 10 EDCDHM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000819552680 593758557 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C[C@@H](O)CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862239023 596283814 /nfs/dbraw/zinc/28/38/14/596283814.db2.gz RZVZWCHUDYDWIA-LLVKDONJSA-N -1 3 329.238 1.653 20 10 EDCDHM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000874051940 596908686 /nfs/dbraw/zinc/90/86/86/596908686.db2.gz WRZYMPJGLDASAA-AAEUAGOBSA-N -1 3 333.363 1.955 20 10 EDCDHM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000874051940 596908688 /nfs/dbraw/zinc/90/86/88/596908688.db2.gz WRZYMPJGLDASAA-AAEUAGOBSA-N -1 3 333.363 1.955 20 10 EDCDHM Cc1cccc([O-])c1CN1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000877762097 597553499 /nfs/dbraw/zinc/55/34/99/597553499.db2.gz ZZUFUDQAEMLHDT-UHFFFAOYSA-N -1 3 332.425 1.906 20 10 EDCDHM O=C(Cc1ccccc1)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000375995620 250282793 /nfs/dbraw/zinc/28/27/93/250282793.db2.gz TWLBLMOWRVSMMI-CQSZACIVSA-N -1 3 340.379 1.671 20 10 EDCDHM CCN(CC(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094074300 441905684 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332.360 1.004 20 10 EDCDHM CCn1cnc2c(c1=O)CCN(C(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000281506685 443929567 /nfs/dbraw/zinc/92/95/67/443929567.db2.gz GLRVPDZWHLFFEN-UHFFFAOYSA-N -1 3 329.356 1.181 20 10 EDCDHM C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000294443473 444117209 /nfs/dbraw/zinc/11/72/09/444117209.db2.gz VQCRCTHQZIDMFP-BONVTDFDSA-N -1 3 342.417 1.045 20 10 EDCDHM Cn1cccc1C(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000363950038 445887931 /nfs/dbraw/zinc/88/79/31/445887931.db2.gz FIXMWSKZVJAXBL-UHFFFAOYSA-N -1 3 343.383 1.471 20 10 EDCDHM Cc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c([O-])c1O ZINC000370231095 446195907 /nfs/dbraw/zinc/19/59/07/446195907.db2.gz QJPMVGPFYOLBOI-RKDXNWHRSA-N -1 3 332.278 1.142 20 10 EDCDHM Cc1nc(C)n(C[C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000371665182 446945381 /nfs/dbraw/zinc/94/53/81/446945381.db2.gz KZLRVUXVHVAOOL-ZDUSSCGKSA-N -1 3 330.388 1.919 20 10 EDCDHM CC(C)(C)NS(=O)(=O)CCNCc1c([O-])ccc(Cl)c1F ZINC000790958181 578277562 /nfs/dbraw/zinc/27/75/62/578277562.db2.gz KCAJCKNHBHXYPJ-UHFFFAOYSA-N -1 3 338.832 1.992 20 10 EDCDHM C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756732715 579956269 /nfs/dbraw/zinc/95/62/69/579956269.db2.gz JWSPYZQWMNKAKZ-LKFCYVNXSA-N -1 3 336.342 1.860 20 10 EDCDHM CCOc1ccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000768402175 580212208 /nfs/dbraw/zinc/21/22/08/580212208.db2.gz YOIAQLIJZZSGLI-AWEZNQCLSA-N -1 3 325.430 1.942 20 10 EDCDHM CCOC1CC(CNC(=O)c2cc([O-])cs2)(N2CCOCC2)C1 ZINC000774510836 580363899 /nfs/dbraw/zinc/36/38/99/580363899.db2.gz RXBZAKRFSBDLEK-UHFFFAOYSA-N -1 3 340.445 1.453 20 10 EDCDHM CCOc1ccc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c([O-])c1 ZINC000776693990 580426544 /nfs/dbraw/zinc/42/65/44/580426544.db2.gz WNTVNFGGOPOYSA-LBPRGKRZSA-N -1 3 328.434 1.257 20 10 EDCDHM O=C(COC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc([O-])c(O)c1 ZINC000784784340 580628924 /nfs/dbraw/zinc/62/89/24/580628924.db2.gz LRAWYUITKKKCTH-UHFFFAOYSA-N -1 3 339.307 1.923 20 10 EDCDHM COc1c([O-])c(CNC(C)(C)C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000793394040 580843345 /nfs/dbraw/zinc/84/33/45/580843345.db2.gz IJXOQWYDQONNNI-UHFFFAOYSA-N -1 3 337.376 1.800 20 10 EDCDHM CCCCN(Cc1ccccc1O)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000801548154 581079477 /nfs/dbraw/zinc/07/94/77/581079477.db2.gz APAVALWGCMCLLI-UHFFFAOYSA-N -1 3 332.360 1.618 20 10 EDCDHM O=C(CN1CSCC1=O)NCc1cc(Br)ccc1[O-] ZINC000804733045 590754575 /nfs/dbraw/zinc/75/45/75/590754575.db2.gz CGMXNOPEKVXZLQ-UHFFFAOYSA-N -1 3 345.218 1.304 20 10 EDCDHM NC(=O)c1cc(C(=O)NCc2cc(Br)ccc2[O-])co1 ZINC000804732959 590754597 /nfs/dbraw/zinc/75/45/97/590754597.db2.gz GOBBWIIURFOWDK-UHFFFAOYSA-N -1 3 339.145 1.777 20 10 EDCDHM O=C(NCc1cnc2n1CCOC2)c1cc2cc(O)c([O-])cc2s1 ZINC000890848594 590810496 /nfs/dbraw/zinc/81/04/96/590810496.db2.gz PKNXVSODNQYUAG-UHFFFAOYSA-N -1 3 345.380 1.969 20 10 EDCDHM CN(C)c1ccc([C@@H](CNC(=O)CCCc2nnn[n-]2)N(C)C)cc1 ZINC000891245875 591015896 /nfs/dbraw/zinc/01/58/96/591015896.db2.gz 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593216416 /nfs/dbraw/zinc/21/64/16/593216416.db2.gz GZIJZZKBRYPJNG-UHFFFAOYSA-N -1 3 343.431 1.804 20 10 EDCDHM CN(C)C(=O)CCNC(=O)NCc1cc(Br)ccc1[O-] ZINC000805181869 593406324 /nfs/dbraw/zinc/40/63/24/593406324.db2.gz ZNFLIMSTAQYQTO-UHFFFAOYSA-N -1 3 344.209 1.432 20 10 EDCDHM COc1cc(Br)cc(CN2CC3(C2)CNC(=O)O3)c1[O-] ZINC000817417725 593603452 /nfs/dbraw/zinc/60/34/52/593603452.db2.gz OFHMAFZZWGGWDS-UHFFFAOYSA-N -1 3 343.177 1.458 20 10 EDCDHM Cc1cc([O-])c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000825959221 594291468 /nfs/dbraw/zinc/29/14/68/594291468.db2.gz CXAKZJHPNMGYCY-GFCCVEGCSA-N -1 3 332.853 1.820 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826400868 594460978 /nfs/dbraw/zinc/46/09/78/594460978.db2.gz KCIFKLMUJYEVHX-ALCCZGGFSA-N -1 3 337.339 1.608 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826400868 594460980 /nfs/dbraw/zinc/46/09/80/594460980.db2.gz KCIFKLMUJYEVHX-ALCCZGGFSA-N -1 3 337.339 1.608 20 10 EDCDHM CCO[C@H]1C[C@](NC(=O)c2cc([O-])cs2)(C(=O)OC)C1(C)C ZINC000832671346 594768105 /nfs/dbraw/zinc/76/81/05/594768105.db2.gz HGLULUKKEUJFJL-NHYWBVRUSA-N -1 3 327.402 1.930 20 10 EDCDHM Cc1cc([O-])c(CN2CCN(C(C)(C)C(N)=O)CC2)c(Cl)c1 ZINC000840917007 594827186 /nfs/dbraw/zinc/82/71/86/594827186.db2.gz MWXHIKKZQXKTJR-UHFFFAOYSA-N -1 3 325.840 1.736 20 10 EDCDHM CO[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000836850083 595004162 /nfs/dbraw/zinc/00/41/62/595004162.db2.gz VAMWCVLSFULPKD-DGCLKSJQSA-N -1 3 328.390 1.061 20 10 EDCDHM O=C([O-])N1CC[C@@H]([N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C2CC2)C1 ZINC000834082848 595009220 /nfs/dbraw/zinc/00/92/20/595009220.db2.gz MTZZPEADYQLVAM-IUODEOHRSA-N -1 3 334.372 1.535 20 10 EDCDHM O=C([O-])N1CC[C@@H]([N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C2CC2)C1 ZINC000834082848 595009223 /nfs/dbraw/zinc/00/92/23/595009223.db2.gz MTZZPEADYQLVAM-IUODEOHRSA-N -1 3 334.372 1.535 20 10 EDCDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C1CCOCC1 ZINC000842587758 595133620 /nfs/dbraw/zinc/13/36/20/595133620.db2.gz HRUJMEQXRMVKAQ-CQSZACIVSA-N -1 3 333.381 1.715 20 10 EDCDHM C[C@@H](COCC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846530603 595268282 /nfs/dbraw/zinc/26/82/82/595268282.db2.gz YRQPXUIWODDVBM-JTQLQIEISA-N -1 3 342.417 1.309 20 10 EDCDHM O=C1CNCCN1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843063521 595277850 /nfs/dbraw/zinc/27/78/50/595277850.db2.gz BVYLQPOKQGBZQY-ZDUSSCGKSA-N -1 3 341.814 1.581 20 10 EDCDHM COC(=O)CN(CC[C@@H]1CCNC1=O)Cc1cc(Cl)ccc1[O-] ZINC000846824001 595322021 /nfs/dbraw/zinc/32/20/21/595322021.db2.gz FIPNNZHZGYHCFN-NSHDSACASA-N -1 3 340.807 1.547 20 10 EDCDHM CN(C)c1ccc(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1 ZINC000844933730 595416240 /nfs/dbraw/zinc/41/62/40/595416240.db2.gz HMTQHNGMIZJJAI-HNNXBMFYSA-N -1 3 345.443 1.650 20 10 EDCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000854948023 595541170 /nfs/dbraw/zinc/54/11/70/595541170.db2.gz JQGOHQDIYILSJV-IUODEOHRSA-N -1 3 346.431 1.096 20 10 EDCDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(=O)[n-]cn1 ZINC000858625787 595848690 /nfs/dbraw/zinc/84/86/90/595848690.db2.gz BRTYUFYKISEJFM-UHFFFAOYSA-N -1 3 332.335 1.088 20 10 EDCDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000851841321 595943486 /nfs/dbraw/zinc/94/34/86/595943486.db2.gz PBCJOQHHAXNCRI-CQSZACIVSA-N -1 3 334.416 1.767 20 10 EDCDHM C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc3cccnc3c2[O-])C1 ZINC000862027085 596185942 /nfs/dbraw/zinc/18/59/42/596185942.db2.gz IUOWKKSRZYRBBN-GFCCVEGCSA-N -1 3 327.384 1.815 20 10 EDCDHM NC(=O)N1CCC[C@@H](C(=O)NCc2ccc3cccnc3c2[O-])C1 ZINC000862028768 596186912 /nfs/dbraw/zinc/18/69/12/596186912.db2.gz KEXKRKCROJFUMB-CYBMUJFWSA-N -1 3 328.372 1.347 20 10 EDCDHM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(F)c[n-]c1=O ZINC000857333406 596214420 /nfs/dbraw/zinc/21/44/20/596214420.db2.gz LMAODKDNWFCVMQ-UHFFFAOYSA-N -1 3 345.374 1.817 20 10 EDCDHM COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000869147223 596424118 /nfs/dbraw/zinc/42/41/18/596424118.db2.gz OSUKNEPKKGLOQX-BZHVJNSISA-N -1 3 327.764 1.628 20 10 EDCDHM C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000863534256 596611402 /nfs/dbraw/zinc/61/14/02/596611402.db2.gz KVAJXCOOKRDJJB-PBHICJAKSA-N -1 3 347.459 1.754 20 10 EDCDHM C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000863534265 596611410 /nfs/dbraw/zinc/61/14/10/596611410.db2.gz KVAJXCOOKRDJJB-YOEHRIQHSA-N -1 3 347.459 1.754 20 10 EDCDHM COC(=O)[C@H](C)NC(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000865686588 596650431 /nfs/dbraw/zinc/65/04/31/596650431.db2.gz PDMIYDULKFUWFC-YUMQZZPRSA-N -1 3 349.214 1.855 20 10 EDCDHM COC(=O)c1cc2ccccc2c(CN2CCCNC(=O)C2)c1[O-] ZINC000872825574 597086971 /nfs/dbraw/zinc/08/69/71/597086971.db2.gz PIKFDUPYLZLBAG-UHFFFAOYSA-N -1 3 328.368 1.654 20 10 EDCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccnn1C1CCC1 ZINC000921451078 697618687 /nfs/dbraw/zinc/61/86/87/697618687.db2.gz JUHDBXLQMGZEAX-UHFFFAOYSA-N -1 3 325.365 1.931 20 10 EDCDHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452680 697619381 /nfs/dbraw/zinc/61/93/81/697619381.db2.gz WGLBZWFZDYUTQE-YGRLFVJLSA-N -1 3 345.392 1.683 20 10 EDCDHM CN(Cc1cnc(N2CCN(C)CC2)nc1)Cc1ccccc1[O-] ZINC000091974460 530015683 /nfs/dbraw/zinc/01/56/83/530015683.db2.gz NSVUAKFPRBYHQY-UHFFFAOYSA-N -1 3 327.432 1.566 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000373343024 250236913 /nfs/dbraw/zinc/23/69/13/250236913.db2.gz GIEXBKGWWVUIRV-UHFFFAOYSA-N -1 3 342.277 1.450 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000372724250 250225266 /nfs/dbraw/zinc/22/52/66/250225266.db2.gz CURMXGSDSFKTND-UHFFFAOYSA-N -1 3 330.296 1.909 20 10 EDCDHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)cn1C ZINC000066102451 441504971 /nfs/dbraw/zinc/50/49/71/441504971.db2.gz NQOZHPHTCVHINA-UHFFFAOYSA-N -1 3 326.397 1.412 20 10 EDCDHM O=C(CN1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCCC1 ZINC000119644316 441945045 /nfs/dbraw/zinc/94/50/45/441945045.db2.gz 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Cc1noc(C)c1CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000188193924 442723224 /nfs/dbraw/zinc/72/32/24/442723224.db2.gz NNFMLDBTQPSPIB-UHFFFAOYSA-N -1 3 331.372 1.661 20 10 EDCDHM COCCN1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1=O ZINC000190811190 443188058 /nfs/dbraw/zinc/18/80/58/443188058.db2.gz FPYBALJENBZRIN-UHFFFAOYSA-N -1 3 338.379 1.415 20 10 EDCDHM COC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000265096190 443531533 /nfs/dbraw/zinc/53/15/33/443531533.db2.gz VQPHSFVGFAJYOQ-NSHDSACASA-N -1 3 342.417 1.262 20 10 EDCDHM O=c1[nH]ccnc1N1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000275513090 443629983 /nfs/dbraw/zinc/62/99/83/443629983.db2.gz KMZPDVPYJHJWDR-LBPRGKRZSA-N -1 3 345.359 1.555 20 10 EDCDHM COCCC(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274164565 443597519 /nfs/dbraw/zinc/59/75/19/443597519.db2.gz HOOYVAQLDJVQIY-UHFFFAOYSA-N -1 3 344.433 1.556 20 10 EDCDHM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000286206800 443667579 /nfs/dbraw/zinc/66/75/79/443667579.db2.gz 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ZINC000905809793 592647805 /nfs/dbraw/zinc/64/78/05/592647805.db2.gz DDJCYGASMKRZLK-MRXNPFEDSA-N -1 3 332.404 1.831 20 10 EDCDHM CN(C)c1ccc([C@@H](CNc2ncc(C(=O)[O-])cn2)N(C)C)cc1 ZINC000910396658 592858480 /nfs/dbraw/zinc/85/84/80/592858480.db2.gz YXRUBRQADBJTFB-OAHLLOKOSA-N -1 3 329.404 1.956 20 10 EDCDHM COCCn1nnc2c1CCN(Cc1c([O-])ccc3ccncc31)C2 ZINC000840083696 593143623 /nfs/dbraw/zinc/14/36/23/593143623.db2.gz QFNUTKMDBFWOKD-UHFFFAOYSA-N -1 3 339.399 1.737 20 10 EDCDHM CN(C[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1)S(C)(=O)=O ZINC000807668900 593188385 /nfs/dbraw/zinc/18/83/85/593188385.db2.gz LWLDWBIEMFDDAA-SNVBAGLBSA-N -1 3 332.447 1.197 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@](O)(CO)C2)c1 ZINC000839160102 593273821 /nfs/dbraw/zinc/27/38/21/593273821.db2.gz QCTUVMSSMBXUBS-CQSZACIVSA-N -1 3 330.222 1.782 20 10 EDCDHM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000804892845 593316391 /nfs/dbraw/zinc/31/63/91/593316391.db2.gz ZLIFKIZDVLSBBE-GFCCVEGCSA-N -1 3 334.759 1.578 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN[C@H]2CCC(=O)N(C)C2=O)c1 ZINC000818234157 593686263 /nfs/dbraw/zinc/68/62/63/593686263.db2.gz UNYZKKZZORUWHG-NSHDSACASA-N -1 3 341.205 1.700 20 10 EDCDHM CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1C(=O)[O-])cc2=O ZINC000820374412 593814141 /nfs/dbraw/zinc/81/41/41/593814141.db2.gz QDINCAGRRPCGBW-GFCCVEGCSA-N -1 3 348.359 1.051 20 10 EDCDHM O=C(C[C@@H]1CCCS1(=O)=O)NCc1ccc2cccnc2c1[O-] ZINC000823769095 593854612 /nfs/dbraw/zinc/85/46/12/593854612.db2.gz JGCBEWFKFSBARE-ZDUSSCGKSA-N -1 3 334.397 1.524 20 10 EDCDHM Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822168743 594002991 /nfs/dbraw/zinc/00/29/91/594002991.db2.gz QGGOMOFROWRUHY-JTQLQIEISA-N -1 3 340.387 1.385 20 10 EDCDHM Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168743 594002994 /nfs/dbraw/zinc/00/29/94/594002994.db2.gz QGGOMOFROWRUHY-JTQLQIEISA-N -1 3 340.387 1.385 20 10 EDCDHM CCOC(=O)[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000824850569 594084300 /nfs/dbraw/zinc/08/43/00/594084300.db2.gz MVNCLKFPPGRYSI-CYBMUJFWSA-N -1 3 344.205 1.919 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN2CCN(CCO)C[C@H]2C)c1 ZINC000825337198 594169748 /nfs/dbraw/zinc/16/97/48/594169748.db2.gz DUADVXVGPMQCQW-GFCCVEGCSA-N -1 3 343.265 1.962 20 10 EDCDHM COC(=O)c1cn(C2CN(Cc3cc(Cl)c(C)cc3[O-])C2)nn1 ZINC000825461676 594188861 /nfs/dbraw/zinc/18/88/61/594188861.db2.gz LTKADPKNOROWGB-UHFFFAOYSA-N -1 3 336.779 1.789 20 10 EDCDHM NS(=O)(=O)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825634341 594209619 /nfs/dbraw/zinc/20/96/19/594209619.db2.gz LNSBYYDQPHLYIM-UHFFFAOYSA-N -1 3 349.250 1.408 20 10 EDCDHM Cc1cc([O-])c(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000825959222 594291494 /nfs/dbraw/zinc/29/14/94/594291494.db2.gz CXAKZJHPNMGYCY-LBPRGKRZSA-N -1 3 332.853 1.820 20 10 EDCDHM COC(=O)c1cc([O-])c(F)cc1NS(=O)(=O)N1CCCCC1 ZINC000830155969 594346513 /nfs/dbraw/zinc/34/65/13/594346513.db2.gz NFJTVDRKADCACZ-UHFFFAOYSA-N -1 3 332.353 1.461 20 10 EDCDHM COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)N1CCCCC1 ZINC000830155969 594346514 /nfs/dbraw/zinc/34/65/14/594346514.db2.gz NFJTVDRKADCACZ-UHFFFAOYSA-N -1 3 332.353 1.461 20 10 EDCDHM COC(=O)c1cc([O-])c(F)cc1NS(=O)(=O)N1CC[C@H](C)C1 ZINC000830156744 594346763 /nfs/dbraw/zinc/34/67/63/594346763.db2.gz XTSROATTXWRBKF-QMMMGPOBSA-N -1 3 332.353 1.316 20 10 EDCDHM COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000830156744 594346765 /nfs/dbraw/zinc/34/67/65/594346765.db2.gz XTSROATTXWRBKF-QMMMGPOBSA-N -1 3 332.353 1.316 20 10 EDCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H](O)C1CC1 ZINC000830544350 594418881 /nfs/dbraw/zinc/41/88/81/594418881.db2.gz ORUWPENWZQHNEQ-GOEBONIOSA-N -1 3 338.835 1.897 20 10 EDCDHM CN(C)c1ccc([C@H](CNC(=O)C2CCN(C)CC2)NC(=O)[O-])cc1 ZINC000828458509 594425728 /nfs/dbraw/zinc/42/57/28/594425728.db2.gz AXRXZAXJTMLZOL-INIZCTEOSA-N -1 3 348.447 1.519 20 10 EDCDHM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])N(C)C ZINC000836623042 594981305 /nfs/dbraw/zinc/98/13/05/594981305.db2.gz JJZZXVDAYNIDSY-VIFPVBQESA-N -1 3 330.226 1.904 20 10 EDCDHM O=C(NCC[C@]1(O)CCCOC1)NCc1cc(Cl)ccc1[O-] ZINC000845721735 595050314 /nfs/dbraw/zinc/05/03/14/595050314.db2.gz GYTMDSPAKIZCMP-OAHLLOKOSA-N -1 3 328.796 1.776 20 10 EDCDHM O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1cc(Cl)ccc1[O-] ZINC000846480199 595246344 /nfs/dbraw/zinc/24/63/44/595246344.db2.gz SWZLNNXANKGHLL-NSHDSACASA-N -1 3 349.861 1.582 20 10 EDCDHM CCOC(=O)CN(Cc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000847004554 595349487 /nfs/dbraw/zinc/34/94/87/595349487.db2.gz RWQPETLEIUNMJV-UHFFFAOYSA-N -1 3 347.419 1.699 20 10 EDCDHM C[C@@H](NC(=O)NCc1cc(Cl)ccc1[O-])[C@H]1CN(C)CCO1 ZINC000845065776 595435962 /nfs/dbraw/zinc/43/59/62/595435962.db2.gz SISLVOILVFNPRS-QMTHXVAHSA-N -1 3 327.812 1.564 20 10 EDCDHM CN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1[O-] ZINC000109773295 595735627 /nfs/dbraw/zinc/73/56/27/595735627.db2.gz FUZUJUDARPBQPR-UHFFFAOYSA-N -1 3 327.384 1.850 20 10 EDCDHM Cc1ccc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)c([O-])c1O ZINC000855641358 595777891 /nfs/dbraw/zinc/77/78/91/595777891.db2.gz WUCOEUZZYIZMJZ-QGZVFWFLSA-N -1 3 337.372 1.637 20 10 EDCDHM Cc1ccc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)c([O-])c1O ZINC000855641357 595777950 /nfs/dbraw/zinc/77/79/50/595777950.db2.gz WUCOEUZZYIZMJZ-KRWDZBQOSA-N -1 3 337.372 1.637 20 10 EDCDHM COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2[O-])O1 ZINC000862026280 596185824 /nfs/dbraw/zinc/18/58/24/596185824.db2.gz YEBZMGYYABOANX-OLZOCXBDSA-N -1 3 330.340 1.277 20 10 EDCDHM Cn1cc(N2C[C@H](C(=O)NCc3cc(Cl)ccc3[O-])CC2=O)cn1 ZINC000862131163 596247975 /nfs/dbraw/zinc/24/79/75/596247975.db2.gz SKCUVYZQBDFDGX-LLVKDONJSA-N -1 3 348.790 1.448 20 10 EDCDHM CNS(=O)(=O)[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862254250 596289178 /nfs/dbraw/zinc/28/91/78/596289178.db2.gz XGTUBQCSKZRBIK-VIFPVBQESA-N -1 3 349.250 1.278 20 10 EDCDHM COC(=O)[C@H]1C[C@@H](O)CN(Cc2c([O-])cccc2Br)C1 ZINC000862400114 596321044 /nfs/dbraw/zinc/32/10/44/596321044.db2.gz MWGLVDPVDRUUCV-VHSXEESVSA-N -1 3 344.205 1.511 20 10 EDCDHM [O-]c1cccc(Br)c1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000862402153 596321827 /nfs/dbraw/zinc/32/18/27/596321827.db2.gz DHQJGXBORXTGDB-LLVKDONJSA-N -1 3 327.222 1.406 20 10 EDCDHM Cc1ccc(S(=O)(=O)[N-]CCCSc2nccs2)nn1 ZINC000866782437 596342450 /nfs/dbraw/zinc/34/24/50/596342450.db2.gz TZXZLHJHGHVHCA-UHFFFAOYSA-N -1 3 330.460 1.702 20 10 EDCDHM NC(=O)CNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000119000814 596374000 /nfs/dbraw/zinc/37/40/00/596374000.db2.gz QRXUBBSNDWEHLV-UHFFFAOYSA-N -1 3 333.775 1.873 20 10 EDCDHM CCC1(N2CCOCC2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000863492447 596597201 /nfs/dbraw/zinc/59/72/01/596597201.db2.gz XHNPDOIWRNPWAF-UHFFFAOYSA-N -1 3 334.416 1.815 20 10 EDCDHM C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000863534756 596612121 /nfs/dbraw/zinc/61/21/21/596612121.db2.gz QEBKGGYXMXSMED-BBRMVZONSA-N -1 3 333.432 1.411 20 10 EDCDHM CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922593460 704092700 /nfs/dbraw/zinc/09/27/00/704092700.db2.gz PUCFVUVASXDEGH-TZMCWYRMSA-N -1 3 344.408 1.686 20 10 EDCDHM CCC[C@@H](C)C(=O)NCCNC(=O)NCc1c([O-])cccc1F ZINC000922603953 704132588 /nfs/dbraw/zinc/13/25/88/704132588.db2.gz PMPOQIXLYVMQNZ-LLVKDONJSA-N -1 3 325.384 1.883 20 10 EDCDHM CN(Cc1ccc(Br)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000700945816 708416116 /nfs/dbraw/zinc/41/61/16/708416116.db2.gz UDXUCPHVGOAWRL-NSHDSACASA-N -1 3 334.235 1.774 20 10 EDCDHM COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000267557131 249364733 /nfs/dbraw/zinc/36/47/33/249364733.db2.gz FMIFYIPDQPBTMH-AWEZNQCLSA-N -1 3 347.367 1.887 20 10 EDCDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Br)ccc1[O-] ZINC000093441193 533065891 /nfs/dbraw/zinc/06/58/91/533065891.db2.gz ZLPRCTBXBSRMLH-QWRGUYRKSA-N -1 3 330.178 1.263 20 10 EDCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1[O-] ZINC000079435188 277106084 /nfs/dbraw/zinc/10/60/84/277106084.db2.gz NVUAFXDKJLAXFN-ONGXEEELSA-N -1 3 331.409 1.987 20 10 EDCDHM Cc1noc(C)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000063112620 441314141 /nfs/dbraw/zinc/31/41/41/441314141.db2.gz BRMOLRKUMJNGIR-UHFFFAOYSA-N -1 3 339.373 1.299 20 10 EDCDHM Cc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)c([O-])c1O ZINC000177665882 442368343 /nfs/dbraw/zinc/36/83/43/442368343.db2.gz BXHRDXIMOAUZPO-UHFFFAOYSA-N -1 3 327.384 1.759 20 10 EDCDHM COc1cc(Br)cc(CN2CCCN(C)C(=O)C2)c1[O-] ZINC000191665968 442486714 /nfs/dbraw/zinc/48/67/14/442486714.db2.gz SBEIJIMTYNVDHH-UHFFFAOYSA-N -1 3 343.221 1.827 20 10 EDCDHM C[C@@H]1c2cccn2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179386295 442637612 /nfs/dbraw/zinc/63/76/12/442637612.db2.gz IFYYUAFBHOVOJX-LLVKDONJSA-N -1 3 349.412 1.782 20 10 EDCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000264679472 443371410 /nfs/dbraw/zinc/37/14/10/443371410.db2.gz KQEGUIMSSRCXEC-UHFFFAOYSA-N -1 3 344.415 1.187 20 10 EDCDHM COCCO[C@H]1C[C@H](CO)CN(Cc2c([O-])cccc2Cl)C1 ZINC000278825476 443453681 /nfs/dbraw/zinc/45/36/81/443453681.db2.gz ZYICZYUPUGZZQH-STQMWFEESA-N -1 3 329.824 1.891 20 10 EDCDHM CC(C)OCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000273099889 443538657 /nfs/dbraw/zinc/53/86/57/443538657.db2.gz PNARIYCUJYSOQT-UHFFFAOYSA-N -1 3 344.433 1.699 20 10 EDCDHM COC(=O)c1cn(C2CCN(Cc3cccc(F)c3[O-])CC2)nn1 ZINC000273792715 443585781 /nfs/dbraw/zinc/58/57/81/443585781.db2.gz VPXIIWAJUGJUQJ-UHFFFAOYSA-N -1 3 334.351 1.747 20 10 EDCDHM COc1c([O-])c(CN2CCC[C@@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000278234174 444120755 /nfs/dbraw/zinc/12/07/55/444120755.db2.gz NCACIATYZVKAJQ-GFCCVEGCSA-N -1 3 326.349 1.282 20 10 EDCDHM O=C1NCCN1C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000298083671 444410555 /nfs/dbraw/zinc/41/05/55/444410555.db2.gz MCPHTYNJNSAOBT-UHFFFAOYSA-N -1 3 326.194 1.364 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CC(S(=O)(=O)Nc2ccccc2)C1 ZINC000365100416 446024170 /nfs/dbraw/zinc/02/41/70/446024170.db2.gz OPTDYDUKZKSNOO-UHFFFAOYSA-N -1 3 348.380 1.364 20 10 EDCDHM Cc1nc(CN2CCC[C@@H](NC(=O)c3cccc(O)c3[O-])C2)no1 ZINC000370500901 446307947 /nfs/dbraw/zinc/30/79/47/446307947.db2.gz STFODQWMHUQYGB-LLVKDONJSA-N -1 3 332.360 1.184 20 10 EDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC(=O)NCC(F)(F)F ZINC000732352723 578707486 /nfs/dbraw/zinc/70/74/86/578707486.db2.gz DEFNJYZYZSYRGF-YFKPBYRVSA-N -1 3 340.279 1.387 20 10 EDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCCS(=O)(=O)CC2CC2)c1 ZINC000756758064 579956644 /nfs/dbraw/zinc/95/66/44/579956644.db2.gz GMAWLQFALJKVIK-NSHDSACASA-N -1 3 341.429 1.654 20 10 EDCDHM NC(=O)c1cc(CNCc2cccc(Br)c2[O-])on1 ZINC000757906866 579972831 /nfs/dbraw/zinc/97/28/31/579972831.db2.gz PRYNBZHUQFWRSB-UHFFFAOYSA-N -1 3 326.150 1.531 20 10 EDCDHM CCOc1ccc(CN2CCN(c3cc(OC)ncn3)CC2)c([O-])c1 ZINC000764676032 580126253 /nfs/dbraw/zinc/12/62/53/580126253.db2.gz DJSRVZWRLUJMTF-UHFFFAOYSA-N -1 3 344.415 1.912 20 10 EDCDHM COC(=O)C[C@]1(NCc2cc(F)cc(C(C)=O)c2[O-])CCOC1 ZINC000767032089 580179942 /nfs/dbraw/zinc/17/99/42/580179942.db2.gz QLBNQEVOABIICL-MRXNPFEDSA-N -1 3 325.336 1.546 20 10 EDCDHM COc1cccc([O-])c1CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000768200254 580208762 /nfs/dbraw/zinc/20/87/62/580208762.db2.gz MILIZYLLYCEVQO-UHFFFAOYSA-N -1 3 333.432 1.141 20 10 EDCDHM COc1cccc([O-])c1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000769541551 580239663 /nfs/dbraw/zinc/23/96/63/580239663.db2.gz CXLRVULKTHGPDR-OAHLLOKOSA-N -1 3 347.459 1.529 20 10 EDCDHM COc1cc(Br)cc(CN(C)[C@H]2CCNC2=O)c1[O-] ZINC000770379945 580259184 /nfs/dbraw/zinc/25/91/84/580259184.db2.gz KTXPZUBYNFBNJB-JTQLQIEISA-N -1 3 329.194 1.484 20 10 EDCDHM O=C(/C=C\c1cncc([O-])c1)NCc1ccc(N2CCOCC2)cc1 ZINC000770487496 580261979 /nfs/dbraw/zinc/26/19/79/580261979.db2.gz SVYDIKAOVDEEOM-UTCJRWHESA-N -1 3 339.395 1.953 20 10 EDCDHM O=C(NC1CCCCC1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000776627859 580424698 /nfs/dbraw/zinc/42/46/98/580424698.db2.gz LXZGZKVNJZMNNF-UHFFFAOYSA-N -1 3 347.415 1.898 20 10 EDCDHM Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c([O-])c1O ZINC000780855536 580535025 /nfs/dbraw/zinc/53/50/25/580535025.db2.gz MHESIQRXQUQHCL-UHFFFAOYSA-N -1 3 342.398 1.045 20 10 EDCDHM 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O=C1CO[C@H]2CCN(Cc3cccc(Br)c3[O-])C[C@@H]2N1 ZINC000835057316 595254675 /nfs/dbraw/zinc/25/46/75/595254675.db2.gz NHPCTLFPRAPPKS-RYUDHWBXSA-N -1 3 341.205 1.244 20 10 EDCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)c([O-])c1O ZINC000848143014 595327779 /nfs/dbraw/zinc/32/77/79/595327779.db2.gz RSGBXBXOPYJDJL-GXTWGEPZSA-N -1 3 331.372 1.790 20 10 EDCDHM C[C@@H](NC(=O)NCc1cc(Cl)ccc1[O-])[C@@H](C)N1CCOCC1 ZINC000844955518 595419682 /nfs/dbraw/zinc/41/96/82/595419682.db2.gz WJOBFFNNRDFLSS-VXGBXAGGSA-N -1 3 341.839 1.954 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2CSC2)c1 ZINC000854978131 595552848 /nfs/dbraw/zinc/55/28/48/595552848.db2.gz MWRPFLPNYCSACU-UHFFFAOYSA-N -1 3 330.431 1.247 20 10 EDCDHM COc1ccc2ccc([O-])c(CN(C)CC(=O)N3CCOCC3)c2c1 ZINC000111164080 595705835 /nfs/dbraw/zinc/70/58/35/595705835.db2.gz DDJMURQSJJGHHR-UHFFFAOYSA-N -1 3 344.411 1.845 20 10 EDCDHM O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1cccc(O)c1[O-] ZINC000854411114 596068369 /nfs/dbraw/zinc/06/83/69/596068369.db2.gz 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/nfs/dbraw/zinc/28/76/64/597287664.db2.gz NKZDYLBHNGVNHY-UHFFFAOYSA-N -1 3 341.402 1.656 20 10 EDCDHM C[S@](=N)(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000877793227 597557885 /nfs/dbraw/zinc/55/78/85/597557885.db2.gz VSKTUZXVQQJJGR-LJQANCHMSA-N -1 3 348.266 1.864 20 10 EDCDHM COC(=O)CC1(CS(=O)(=O)NCc2c([O-])cccc2F)CC1 ZINC000921452035 697619019 /nfs/dbraw/zinc/61/90/19/697619019.db2.gz AXNVURAPSXQPCD-UHFFFAOYSA-N -1 3 331.365 1.294 20 10 EDCDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)CC2)c1[O-] ZINC000124588993 237152115 /nfs/dbraw/zinc/15/21/15/237152115.db2.gz KXSOMMWGSHAIRO-UHFFFAOYSA-N -1 3 334.235 1.694 20 10 EDCDHM Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c([O-])c1O ZINC000267601108 292072082 /nfs/dbraw/zinc/07/20/82/292072082.db2.gz PDCBIIJQNPDUTH-CQSZACIVSA-N -1 3 349.431 1.079 20 10 EDCDHM CN(C)S(=O)(=O)CCN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000285118882 289240829 /nfs/dbraw/zinc/24/08/29/289240829.db2.gz ALKXAOMSXVDPRF-OAHLLOKOSA-N -1 3 342.461 1.265 20 10 EDCDHM 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CNC(=O)CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000279964366 443650856 /nfs/dbraw/zinc/65/08/56/443650856.db2.gz WGUZUQRSFMNAOZ-UHFFFAOYSA-N -1 3 339.779 1.336 20 10 EDCDHM COc1c([O-])c(CN[C@@H](C)C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000278300034 444132529 /nfs/dbraw/zinc/13/25/29/444132529.db2.gz CRLLOQSMGBPPFG-JTQLQIEISA-N -1 3 349.343 1.697 20 10 EDCDHM CCOC(=O)c1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1O ZINC000295204383 444170111 /nfs/dbraw/zinc/17/01/11/444170111.db2.gz NXIXLWKJZMZBPB-LBPRGKRZSA-N -1 3 343.401 1.880 20 10 EDCDHM CCS(=O)(=O)NC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000289571443 444173842 /nfs/dbraw/zinc/17/38/42/444173842.db2.gz ZRDXQTXKXHGXSE-UHFFFAOYSA-N -1 3 332.853 1.949 20 10 EDCDHM COc1c([O-])c(CNCCS(=O)(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000289996434 444228623 /nfs/dbraw/zinc/22/86/23/444228623.db2.gz CRKZUHWPVWUGSZ-UHFFFAOYSA-N -1 3 332.378 1.222 20 10 EDCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000361494914 445787497 /nfs/dbraw/zinc/78/74/97/445787497.db2.gz LDHGQWVILCSJTE-UHFFFAOYSA-N -1 3 343.387 1.353 20 10 EDCDHM COC(=O)c1cn([C@H]2CCN(Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000363904927 445883644 /nfs/dbraw/zinc/88/36/44/445883644.db2.gz BSWHONRYJWKFLB-NSHDSACASA-N -1 3 336.779 1.871 20 10 EDCDHM Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc(O)c3[O-])CCCN2C)cn1 ZINC000364828011 445958748 /nfs/dbraw/zinc/95/87/48/445958748.db2.gz CMLDIOPZINRLJX-MLGOLLRUSA-N -1 3 344.415 1.644 20 10 EDCDHM Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc(O)c3[O-])CCCN2C)cn1 ZINC000364828012 445958991 /nfs/dbraw/zinc/95/89/91/445958991.db2.gz CMLDIOPZINRLJX-WBMJQRKESA-N -1 3 344.415 1.644 20 10 EDCDHM Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc(O)c3[O-])CCCN2C)cn1 ZINC000364828010 445959445 /nfs/dbraw/zinc/95/94/45/445959445.db2.gz CMLDIOPZINRLJX-LRDDRELGSA-N -1 3 344.415 1.644 20 10 EDCDHM O=C(c1ccncc1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000366072489 445993556 /nfs/dbraw/zinc/99/35/56/445993556.db2.gz JWEXZAIFBYGGTE-UHFFFAOYSA-N -1 3 341.367 1.481 20 10 EDCDHM COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000370177984 446188720 /nfs/dbraw/zinc/18/87/20/446188720.db2.gz ZBAOGOQLRFXVMM-OCCSQVGLSA-N -1 3 325.336 1.496 20 10 EDCDHM COc1cc(Cl)cc(CN2CCN3C(=O)N(C)C[C@@H]3C2)c1[O-] ZINC000369692586 446148129 /nfs/dbraw/zinc/14/81/29/446148129.db2.gz JUIBAYMAXZYKSF-GFCCVEGCSA-N -1 3 325.796 1.606 20 10 EDCDHM CCCOc1ccc(CN2CCC[C@@H](S(=O)(=O)NC)C2)c([O-])c1 ZINC000371324787 446774028 /nfs/dbraw/zinc/77/40/28/446774028.db2.gz ALDONDUYSXQMRB-OAHLLOKOSA-N -1 3 342.461 1.695 20 10 EDCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CN2CCN1CCC2 ZINC000377089559 446913516 /nfs/dbraw/zinc/91/35/16/446913516.db2.gz NOTROHQCXQEHEC-CYBMUJFWSA-N -1 3 344.242 1.705 20 10 EDCDHM CCN(c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1)C(C)C ZINC000031434140 521490405 /nfs/dbraw/zinc/49/04/05/521490405.db2.gz JDOUJADDHXQHAI-UHFFFAOYSA-N -1 3 332.429 1.748 20 10 EDCDHM CCN(CC)C(=O)CN1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731868333 578682186 /nfs/dbraw/zinc/68/21/86/578682186.db2.gz CQDMVFBPHUVINS-UHFFFAOYSA-N -1 3 339.461 1.470 20 10 EDCDHM C[C@]1(c2cccc(NC(=O)c3cc([O-])cs3)c2)NC(=O)NC1=O ZINC000731869460 578682381 /nfs/dbraw/zinc/68/23/81/578682381.db2.gz IGARFWYEODDFCG-OAHLLOKOSA-N -1 3 331.353 1.761 20 10 EDCDHM O=C(NCCNS(=O)(=O)c1ccccc1)c1cc([O-])cs1 ZINC000732267332 578700789 /nfs/dbraw/zinc/70/07/89/578700789.db2.gz XZJHAVLBWUXOLZ-UHFFFAOYSA-N -1 3 326.399 1.162 20 10 EDCDHM CNC(=O)[C@@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732355159 578707623 /nfs/dbraw/zinc/70/76/23/578707623.db2.gz FENDPBGDGWDEFL-AWEZNQCLSA-N -1 3 348.380 1.214 20 10 EDCDHM C[C@H](NCCS(=O)(=O)CC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756760244 579956697 /nfs/dbraw/zinc/95/66/97/579956697.db2.gz IXUCSOFAWYVFPT-JTQLQIEISA-N -1 3 328.390 1.776 20 10 EDCDHM CCn1cc(S(=O)(=O)[N-]Cc2cc(OC)ccc2O)nc1C ZINC000767262927 580184851 /nfs/dbraw/zinc/18/48/51/580184851.db2.gz QYBGGWLVZJJXNK-UHFFFAOYSA-N -1 3 325.390 1.404 20 10 EDCDHM CO[C@H](C)c1noc(CN(C)Cc2cc3c(cc2[O-])OC[C@@H]3O)n1 ZINC000768463663 580213900 /nfs/dbraw/zinc/21/39/00/580213900.db2.gz LCYXLCWUTVWQOT-RNCFNFMXSA-N -1 3 335.360 1.540 20 10 EDCDHM COc1c([O-])c(CNCC(C)(C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000775028132 580381171 /nfs/dbraw/zinc/38/11/71/580381171.db2.gz BTAACMULQOFDGD-UHFFFAOYSA-N -1 3 332.378 1.222 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN2CCN(CCO)[C@H](C)C2)c1 ZINC000779215353 580481266 /nfs/dbraw/zinc/48/12/66/580481266.db2.gz XJXFDVWDJYAFMP-GFCCVEGCSA-N -1 3 343.265 1.962 20 10 EDCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c([O-])c1O ZINC000780922580 580537664 /nfs/dbraw/zinc/53/76/64/580537664.db2.gz WEBBYPNQFHUXLM-UHFFFAOYSA-N -1 3 327.340 1.849 20 10 EDCDHM Cc1ccc(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c([O-])c1O ZINC000787590640 580698784 /nfs/dbraw/zinc/69/87/84/580698784.db2.gz OQHXTJDSRLMNGO-CYBMUJFWSA-N -1 3 347.415 1.624 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000790742475 580777803 /nfs/dbraw/zinc/77/78/03/580777803.db2.gz HWCQAEGWUIHPSY-SNVBAGLBSA-N -1 3 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CS(=O)(=O)N1CC[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000846035547 595127719 /nfs/dbraw/zinc/12/77/19/595127719.db2.gz VWJZLACNWCWHOG-SNVBAGLBSA-N -1 3 349.796 1.077 20 10 EDCDHM Cn1cc([C@@H](NC(=O)c2cccc(O)c2[O-])C2(CO)CCC2)cn1 ZINC000846203941 595173950 /nfs/dbraw/zinc/17/39/50/595173950.db2.gz OODHXUYWSCXVBM-OAHLLOKOSA-N -1 3 331.372 1.465 20 10 EDCDHM CN(C)c1noc(CNC(=O)NCc2cc(Cl)ccc2[O-])n1 ZINC000845181826 595456883 /nfs/dbraw/zinc/45/68/83/595456883.db2.gz JFOVWPUYGZZHKI-UHFFFAOYSA-N -1 3 325.756 1.494 20 10 EDCDHM COc1ccc(N2CC[C@@H](NC(=O)c3ccc4n[n-]nc4c3)C2)cc1 ZINC000855229817 595636939 /nfs/dbraw/zinc/63/69/39/595636939.db2.gz RBXMMKYKBLGPKF-CYBMUJFWSA-N -1 3 337.383 1.975 20 10 EDCDHM COc1cccc([O-])c1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534263 596013063 /nfs/dbraw/zinc/01/30/63/596013063.db2.gz HWAKKQVNQLOXHE-LSDHHAIUSA-N -1 3 341.411 1.751 20 10 EDCDHM CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000854374619 596055253 /nfs/dbraw/zinc/05/52/53/596055253.db2.gz WDRSQIWPPMQJTO-CYBMUJFWSA-N -1 3 333.388 1.509 20 10 EDCDHM COC(=O)C[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862246773 596286479 /nfs/dbraw/zinc/28/64/79/596286479.db2.gz ULBHCFVAEKFAHG-JTQLQIEISA-N -1 3 344.205 1.919 20 10 EDCDHM CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000862551004 596344820 /nfs/dbraw/zinc/34/48/20/596344820.db2.gz JCZNFCZUXWSYDL-LLVKDONJSA-N -1 3 332.853 1.807 20 10 EDCDHM CO[C@H](C(=O)NCc1ccc2cccnc2c1[O-])C(=O)OC(C)(C)C ZINC000868937469 596356162 /nfs/dbraw/zinc/35/61/62/596356162.db2.gz JTOZBLLGBUVYRX-OAHLLOKOSA-N -1 3 346.383 1.913 20 10 EDCDHM CCCn1cc(CN(CC(=O)OCC)Cc2ccccc2[O-])nn1 ZINC000877598987 597540469 /nfs/dbraw/zinc/54/04/69/597540469.db2.gz NTQDFSUZYRCEFO-UHFFFAOYSA-N -1 3 332.404 1.959 20 10 EDCDHM C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)ccc1[O-] ZINC000883335551 597719162 /nfs/dbraw/zinc/71/91/62/597719162.db2.gz VVYNABKOTXWENK-SECBINFHSA-N -1 3 333.779 1.638 20 10 EDCDHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000920031132 697384235 /nfs/dbraw/zinc/38/42/35/697384235.db2.gz YOSCCDVTPUOLLU-GHMZBOCLSA-N -1 3 344.408 1.686 20 10 EDCDHM CCCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272859243 282832937 /nfs/dbraw/zinc/83/29/37/282832937.db2.gz UNEZXEVJHSQXQT-GFCCVEGCSA-N -1 3 338.429 1.838 20 10 EDCDHM COC(=O)C[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000267615319 249368949 /nfs/dbraw/zinc/36/89/49/249368949.db2.gz CFFMDQCUOGCACY-ZDUSSCGKSA-N -1 3 325.336 1.498 20 10 EDCDHM COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000360343247 250162407 /nfs/dbraw/zinc/16/24/07/250162407.db2.gz LTADMEJIRXTTRC-VXGBXAGGSA-N -1 3 329.780 1.817 20 10 EDCDHM CN1C(=O)NC2(CCN(Cc3c([O-])ccc(Cl)c3F)CC2)C1=O ZINC000377725071 277016608 /nfs/dbraw/zinc/01/66/08/277016608.db2.gz ZHKPDTUHXJFSRT-UHFFFAOYSA-N -1 3 341.770 1.701 20 10 EDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1(N2CCOCC2)CCCC1 ZINC000185739916 443248191 /nfs/dbraw/zinc/24/81/91/443248191.db2.gz WMPBFDBXBGLEIZ-ZDUSSCGKSA-N -1 3 334.416 1.861 20 10 EDCDHM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271420293 443503360 /nfs/dbraw/zinc/50/33/60/443503360.db2.gz OUMQUKIONYWYLK-PWSUYJOCSA-N -1 3 342.417 1.139 20 10 EDCDHM CC(C)(CCCO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271449909 443504079 /nfs/dbraw/zinc/50/40/79/443504079.db2.gz VJJXHMCMUKBIAO-UHFFFAOYSA-N -1 3 344.433 1.292 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000271527490 443504791 /nfs/dbraw/zinc/50/47/91/443504791.db2.gz XKLFNVCPEWSTJO-GXFFZTMASA-N -1 3 342.417 1.045 20 10 EDCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])CCN1c1nccn2cnnc12 ZINC000272367999 443605022 /nfs/dbraw/zinc/60/50/22/443605022.db2.gz GCOFFUIYWLFVTQ-LBPRGKRZSA-N -1 3 342.378 1.680 20 10 EDCDHM Cn1ccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000286882192 443728512 /nfs/dbraw/zinc/72/85/12/443728512.db2.gz OMASDYFSHXFIHI-AWEZNQCLSA-N -1 3 331.372 1.729 20 10 EDCDHM CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1cccc(O)c1[O-] ZINC000281334296 443882724 /nfs/dbraw/zinc/88/27/24/443882724.db2.gz WKDXRLJAASPOOH-RYUDHWBXSA-N -1 3 346.362 1.577 20 10 EDCDHM [O-]c1ccccc1CN(Cc1nnc2n1CCOC2)C[C@@H]1CCCO1 ZINC000281437657 443911162 /nfs/dbraw/zinc/91/11/62/443911162.db2.gz ZHYVTCPGFCUPDG-HNNXBMFYSA-N -1 3 344.415 1.695 20 10 EDCDHM CC[C@H](C)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OC ZINC000295859829 444193669 /nfs/dbraw/zinc/19/36/69/444193669.db2.gz WTDYCHVBZMEXGU-IINYFYTJSA-N -1 3 344.433 1.555 20 10 EDCDHM O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(O)c1[O-] ZINC000364666789 445943899 /nfs/dbraw/zinc/94/38/99/445943899.db2.gz RWFHUQIXJURXMH-AWEZNQCLSA-N -1 3 344.342 1.768 20 10 EDCDHM COc1c([O-])c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000364455875 445924034 /nfs/dbraw/zinc/92/40/34/445924034.db2.gz PVPJOYUKOGWGIC-GFCCVEGCSA-N -1 3 349.347 1.309 20 10 EDCDHM COc1c([O-])c(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000364455875 445924041 /nfs/dbraw/zinc/92/40/41/445924041.db2.gz PVPJOYUKOGWGIC-GFCCVEGCSA-N -1 3 349.347 1.309 20 10 EDCDHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000364699829 445946471 /nfs/dbraw/zinc/94/64/71/445946471.db2.gz KCAZKCRORLVKQM-CYBMUJFWSA-N -1 3 331.372 1.960 20 10 EDCDHM CNC(=O)NC[C@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])CCO1 ZINC000529645114 448916007 /nfs/dbraw/zinc/91/60/07/448916007.db2.gz POVVHUDTZIUXRL-LBPRGKRZSA-N -1 3 343.811 1.184 20 10 EDCDHM Cc1nc(CN2CCC[C@H](N(C)C(=O)c3cc([O-])cs3)C2)no1 ZINC000743692830 579488851 /nfs/dbraw/zinc/48/88/51/579488851.db2.gz CQYPINDCHSCVMV-NSHDSACASA-N -1 3 336.417 1.882 20 10 EDCDHM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000732277108 578701847 /nfs/dbraw/zinc/70/18/47/578701847.db2.gz AHWGSLAQYXGCMT-GHMZBOCLSA-N -1 3 326.418 1.457 20 10 EDCDHM CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354037 578707503 /nfs/dbraw/zinc/70/75/03/578707503.db2.gz NTIIZIGPANCWQB-AWEZNQCLSA-N -1 3 347.392 1.927 20 10 EDCDHM CCNC(=O)CN1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000761191822 580050926 /nfs/dbraw/zinc/05/09/26/580050926.db2.gz XBGMFSYGOXYLEZ-UHFFFAOYSA-N -1 3 341.839 1.308 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3nccn3C)CC2)c1[O-] ZINC000750825783 579782906 /nfs/dbraw/zinc/78/29/06/579782906.db2.gz KRVVKARCJGRQEO-UHFFFAOYSA-N -1 3 346.406 1.785 20 10 EDCDHM CC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCN1CC(F)F ZINC000768466328 580214217 /nfs/dbraw/zinc/21/42/17/580214217.db2.gz ZCCAZQBGSWMKGK-SWLSCSKDSA-N -1 3 342.386 1.979 20 10 EDCDHM CN(CC1CCOCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000768524639 580215392 /nfs/dbraw/zinc/21/53/92/580215392.db2.gz JELWCEXISLVNKH-UHFFFAOYSA-N -1 3 342.417 1.262 20 10 EDCDHM CCNS(=O)(=O)[C@H]1CCN(Cc2c([O-])ccc3ccncc32)C1 ZINC000770677481 580267399 /nfs/dbraw/zinc/26/73/99/580267399.db2.gz OHFCVNFUEHMSAU-ZDUSSCGKSA-N -1 3 335.429 1.454 20 10 EDCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1O ZINC000771220371 580282732 /nfs/dbraw/zinc/28/27/32/580282732.db2.gz VTPPPTFBHMASPU-UHFFFAOYSA-N -1 3 337.353 1.994 20 10 EDCDHM NS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775687904 580397247 /nfs/dbraw/zinc/39/72/47/580397247.db2.gz KPIANWDGSDNTGE-VIFPVBQESA-N -1 3 336.816 1.685 20 10 EDCDHM COC(=O)c1cn(C2CN(Cc3cc(Cl)cc(C)c3[O-])C2)nn1 ZINC000779613159 580491302 /nfs/dbraw/zinc/49/13/02/580491302.db2.gz HBHLUFFVXNLCLK-UHFFFAOYSA-N -1 3 336.779 1.789 20 10 EDCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCOC1 ZINC000780781260 580533467 /nfs/dbraw/zinc/53/34/67/580533467.db2.gz IXBKUSRVDOXDIW-WDEREUQCSA-N -1 3 342.417 1.309 20 10 EDCDHM CN(C)C(=O)COc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790547932 580772771 /nfs/dbraw/zinc/77/27/71/580772771.db2.gz SMKGQLLKOSWGIX-UHFFFAOYSA-N -1 3 344.367 1.495 20 10 EDCDHM NC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccc(F)cc1 ZINC000790574436 580773230 /nfs/dbraw/zinc/77/32/30/580773230.db2.gz ASLWFFPFMKIDRV-NSHDSACASA-N -1 3 332.331 1.311 20 10 EDCDHM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(O)c1[O-] ZINC000790902784 580780994 /nfs/dbraw/zinc/78/09/94/580780994.db2.gz QPFKXTIIPZBTES-UHFFFAOYSA-N -1 3 340.335 1.466 20 10 EDCDHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cccc(O)c1[O-] ZINC000790911871 580781209 /nfs/dbraw/zinc/78/12/09/580781209.db2.gz UDSDOKKFOZZVCH-GFCCVEGCSA-N -1 3 341.323 1.101 20 10 EDCDHM CN1C(=O)CC[C@@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000804733352 590755932 /nfs/dbraw/zinc/75/59/32/590755932.db2.gz PGMOYEVPIRWBPL-SNVBAGLBSA-N -1 3 327.178 1.392 20 10 EDCDHM COC(=O)[C@]1(O)CCN(Cc2cccc(Br)c2[O-])C1 ZINC000895708182 591260221 /nfs/dbraw/zinc/26/02/21/591260221.db2.gz QHOQVUOQBSPJOO-ZDUSSCGKSA-N -1 3 330.178 1.265 20 10 EDCDHM C[C@@H](CN1CCOCC1)NC(=O)c1cc2cc(O)c([O-])cc2s1 ZINC000895739618 591262154 /nfs/dbraw/zinc/26/21/54/591262154.db2.gz DPCOKBRZURZBBL-JTQLQIEISA-N -1 3 336.413 1.763 20 10 EDCDHM O=S1(=O)C[C@H]2CN(Cc3cccc(Br)c3[O-])C[C@H]2C1 ZINC000897619106 591590320 /nfs/dbraw/zinc/59/03/20/591590320.db2.gz NEURGTVLFQQCPO-PHIMTYICSA-N -1 3 346.246 1.631 20 10 EDCDHM O=C(c1cc2cc(O)c([O-])cc2s1)N1CCN(C2CC2)C(=O)C1 ZINC000896837972 591627947 /nfs/dbraw/zinc/62/79/47/591627947.db2.gz LYRXTAFROOJSKN-UHFFFAOYSA-N -1 3 332.381 1.759 20 10 EDCDHM CN1CCN(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000897855401 591679079 /nfs/dbraw/zinc/67/90/79/591679079.db2.gz AYSYACBAEQMUJI-UHFFFAOYSA-N -1 3 342.827 1.633 20 10 EDCDHM NS(=O)(=O)C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000897058735 591726060 /nfs/dbraw/zinc/72/60/60/591726060.db2.gz RLJQKYHPZRHVHY-MRVPVSSYSA-N -1 3 339.244 1.809 20 10 EDCDHM CN(C(=O)c1cc2cc(O)c([O-])cc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000895483026 591777904 /nfs/dbraw/zinc/77/79/04/591777904.db2.gz MYPMLWSTUWQINZ-SECBINFHSA-N -1 3 341.410 1.572 20 10 EDCDHM CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])N(C)C)cc1 ZINC000899854972 591964145 /nfs/dbraw/zinc/96/41/45/591964145.db2.gz QUSACQIIDLXPOQ-ZACQAIPSSA-N -1 3 347.459 1.972 20 10 EDCDHM CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)N(C)C)cc1 ZINC000899855342 591964426 /nfs/dbraw/zinc/96/44/26/591964426.db2.gz VGDFUSIOMVPXCO-XHSDSOJGSA-N -1 3 349.431 1.104 20 10 EDCDHM Cn1ncc(CNC(=O)NCc2cc(Br)ccc2[O-])n1 ZINC000805994103 593174871 /nfs/dbraw/zinc/17/48/71/593174871.db2.gz BSQJQJPJVDOQOH-UHFFFAOYSA-N -1 3 340.181 1.283 20 10 EDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000807899911 593207561 /nfs/dbraw/zinc/20/75/61/593207561.db2.gz QZOPONPRWGJKEW-JTQLQIEISA-N -1 3 344.458 1.388 20 10 EDCDHM COC(=O)c1cc2ccccc2c(CN2CC(=O)N[C@H](C)C2)c1[O-] ZINC000840135082 593253829 /nfs/dbraw/zinc/25/38/29/593253829.db2.gz QUDFQHSOHHHCSA-LLVKDONJSA-N -1 3 328.368 1.652 20 10 EDCDHM COC(=O)c1cn(C2CN(Cc3ccc4ccccc4c3[O-])C2)nn1 ZINC000816565649 593532055 /nfs/dbraw/zinc/53/20/55/593532055.db2.gz WZVQGTGMKRHNBH-UHFFFAOYSA-N -1 3 338.367 1.980 20 10 EDCDHM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccc(C)c(O)c3[O-])[C@@H]2C1 ZINC000813860895 593558871 /nfs/dbraw/zinc/55/88/71/593558871.db2.gz VSTGZPWIQPMROV-NWANDNLSSA-N -1 3 332.400 1.783 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN[C@@H]2CCC(=O)N(C)C2=O)c1 ZINC000818234156 593686293 /nfs/dbraw/zinc/68/62/93/593686293.db2.gz UNYZKKZZORUWHG-LLVKDONJSA-N -1 3 341.205 1.700 20 10 EDCDHM CN1CCCC[C@@H](C(=O)NCc2ccc3cccnc3c2[O-])C1=O ZINC000823768969 593854871 /nfs/dbraw/zinc/85/48/71/593854871.db2.gz GEACDLACDJGMGE-AWEZNQCLSA-N -1 3 327.384 1.815 20 10 EDCDHM O=C1CN(Cc2ccc(Br)cc2[O-])CCN1C1CC1 ZINC000824818563 594079723 /nfs/dbraw/zinc/07/97/23/594079723.db2.gz ICWFGANKJLHFGA-UHFFFAOYSA-N -1 3 325.206 1.961 20 10 EDCDHM CN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2 ZINC000825902381 594273710 /nfs/dbraw/zinc/27/37/10/594273710.db2.gz SMEXRIQRXPDRSO-CQSZACIVSA-N -1 3 339.355 1.765 20 10 EDCDHM CN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC000825902381 594273711 /nfs/dbraw/zinc/27/37/11/594273711.db2.gz SMEXRIQRXPDRSO-CQSZACIVSA-N -1 3 339.355 1.765 20 10 EDCDHM COc1c([O-])c(CN2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000827118922 594644047 /nfs/dbraw/zinc/64/40/47/594644047.db2.gz 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593472659 /nfs/dbraw/zinc/47/26/59/593472659.db2.gz RDURENOCKDKEGK-LLVKDONJSA-N -1 3 341.205 1.830 20 10 EDCDHM Cc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc(C)n1 ZINC000817619122 593617492 /nfs/dbraw/zinc/61/74/92/593617492.db2.gz KJNSNKPQJOEAAS-UHFFFAOYSA-N -1 3 349.412 1.706 20 10 EDCDHM CCOC(=O)CN(Cc1cnc(N(C)C)n1C)Cc1ccccc1[O-] ZINC000822511592 594060154 /nfs/dbraw/zinc/06/01/54/594060154.db2.gz JQQWQAPQGRMHQD-UHFFFAOYSA-N -1 3 346.431 1.757 20 10 EDCDHM Fc1cccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000826376985 594450950 /nfs/dbraw/zinc/45/09/50/594450950.db2.gz ZTRSASAKRARRLP-UHFFFAOYSA-N -1 3 329.364 1.887 20 10 EDCDHM Fc1cccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000826376985 594450951 /nfs/dbraw/zinc/45/09/51/594450951.db2.gz ZTRSASAKRARRLP-UHFFFAOYSA-N -1 3 329.364 1.887 20 10 EDCDHM O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826441922 594479018 /nfs/dbraw/zinc/47/90/18/594479018.db2.gz BMGAMCIKTFZGMO-UHFFFAOYSA-N -1 3 345.746 1.861 20 10 EDCDHM O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826441922 594479020 /nfs/dbraw/zinc/47/90/20/594479020.db2.gz BMGAMCIKTFZGMO-UHFFFAOYSA-N -1 3 345.746 1.861 20 10 EDCDHM O=S(=O)(NCc1ccccc1O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826492027 594499888 /nfs/dbraw/zinc/49/98/88/594499888.db2.gz PBNJRNBPZBBZCM-UHFFFAOYSA-N -1 3 349.347 1.190 20 10 EDCDHM COC(=O)c1cn(C2CN(Cc3c([O-])cc(C)cc3Cl)C2)nn1 ZINC000840938115 594830476 /nfs/dbraw/zinc/83/04/76/594830476.db2.gz XRMRQBPWFPZWPE-UHFFFAOYSA-N -1 3 336.779 1.789 20 10 EDCDHM COc1cc(O)c(CN2CCSC[C@@H]2CC(=O)[O-])cc1OC ZINC000833728582 594917659 /nfs/dbraw/zinc/91/76/59/594917659.db2.gz HWMJLXQRBNYESF-NSHDSACASA-N -1 3 327.402 1.802 20 10 EDCDHM O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]21 ZINC000834183413 595044652 /nfs/dbraw/zinc/04/46/52/595044652.db2.gz PCUKQOQOFGEQLF-FDKDBAQKSA-N -1 3 348.399 1.686 20 10 EDCDHM O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]21 ZINC000834183413 595044654 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C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853571471 595808944 /nfs/dbraw/zinc/80/89/44/595808944.db2.gz CFCMUTKPXGHFPN-CWONEXCFSA-N -1 3 333.306 1.970 20 10 EDCDHM Cc1ccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)c([O-])c1O ZINC000855770196 595817458 /nfs/dbraw/zinc/81/74/58/595817458.db2.gz FWDUQQAHSMSKBM-UHFFFAOYSA-N -1 3 341.429 1.884 20 10 EDCDHM Cc1nnc2n1C[C@H](C(=O)NCc1ccc3cccnc3c1[O-])CC2 ZINC000862027195 596185759 /nfs/dbraw/zinc/18/57/59/596185759.db2.gz LXAZPSBKCDPTOM-CQSZACIVSA-N -1 3 337.383 1.719 20 10 EDCDHM CCCC[C@H](NC(N)=O)C(=O)NCc1ccc2cccnc2c1[O-] ZINC000862028031 596186755 /nfs/dbraw/zinc/18/67/55/596186755.db2.gz NPMRBRTZYIPXOX-ZDUSSCGKSA-N -1 3 330.388 1.784 20 10 EDCDHM CCOC(=O)[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862247580 596286692 /nfs/dbraw/zinc/28/66/92/596286692.db2.gz JBGMXQJHAXUYTP-CYBMUJFWSA-N -1 3 344.205 1.919 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCCS2)c1 ZINC000871033270 596443231 /nfs/dbraw/zinc/44/32/31/596443231.db2.gz ZFNYGUDFPLWHGM-LLVKDONJSA-N -1 3 344.458 1.779 20 10 EDCDHM COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1[O-] ZINC000866440823 596887521 /nfs/dbraw/zinc/88/75/21/596887521.db2.gz UBWDSTKYLRCTCQ-GUBZILKMSA-N -1 3 328.796 1.762 20 10 EDCDHM CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877661395 597545803 /nfs/dbraw/zinc/54/58/03/597545803.db2.gz BHDPUKKEACZSEC-JTQLQIEISA-N -1 3 334.388 1.432 20 10 EDCDHM CCOc1ccc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c([O-])c1 ZINC000877794623 597558220 /nfs/dbraw/zinc/55/82/20/597558220.db2.gz XKLRWWNKKXRDAJ-KGLIPLIRSA-N -1 3 325.430 1.657 20 10 EDCDHM CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)O1 ZINC000264932228 249339231 /nfs/dbraw/zinc/33/92/31/249339231.db2.gz NZHAYNKBCBAUMN-ZYHUDNBSSA-N -1 3 342.417 1.403 20 10 EDCDHM CNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000371852672 250213918 /nfs/dbraw/zinc/21/39/18/250213918.db2.gz NADVXFZTSZVYLU-NSHDSACASA-N -1 3 334.825 1.178 20 10 EDCDHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000370419254 250205144 /nfs/dbraw/zinc/20/51/44/250205144.db2.gz UFYDRKUZGLZIQX-RYUDHWBXSA-N -1 3 337.372 1.589 20 10 EDCDHM COc1cc(Br)cc(CN2C[C@@H](O)C[C@@H]2CO)c1[O-] ZINC000370394294 250205196 /nfs/dbraw/zinc/20/51/96/250205196.db2.gz DVXKMUSRYKQQFF-MNOVXSKESA-N -1 3 332.194 1.091 20 10 EDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1[C@H]2COC[C@H]21 ZINC000375945459 250283075 /nfs/dbraw/zinc/28/30/75/250283075.db2.gz MAHCRXWAPIZZKP-XYYAHUGASA-N -1 3 336.775 1.702 20 10 EDCDHM CCN1C(=O)[C@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCN2C1=O ZINC000378440712 447428433 /nfs/dbraw/zinc/42/84/33/447428433.db2.gz DPIHFJNLNGXQEU-CYBMUJFWSA-N -1 3 337.807 1.822 20 10 EDCDHM COCCCNC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096970992 442152498 /nfs/dbraw/zinc/15/24/98/442152498.db2.gz LVZZFROHJYGFHA-MRXNPFEDSA-N -1 3 336.432 1.526 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1[O-] ZINC000192118755 442597095 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O=C(c1ccco1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000364831134 445959079 /nfs/dbraw/zinc/95/90/79/445959079.db2.gz SEYFCOANSZOGOH-UHFFFAOYSA-N -1 3 330.340 1.679 20 10 EDCDHM CCN1CCN(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC000366154559 446046452 /nfs/dbraw/zinc/04/64/52/446046452.db2.gz CKGXDCPLAQSCDS-UHFFFAOYSA-N -1 3 333.388 1.460 20 10 EDCDHM CCCOc1ccc(CN2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c([O-])c1 ZINC000362012716 446152075 /nfs/dbraw/zinc/15/20/75/446152075.db2.gz OOYUUYQEFTXWDH-OAHLLOKOSA-N -1 3 347.415 1.649 20 10 EDCDHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000365755945 446330024 /nfs/dbraw/zinc/33/00/24/446330024.db2.gz BNPVWEHCZVVSJY-ZDUSSCGKSA-N -1 3 331.372 1.662 20 10 EDCDHM CN(C)c1ccc(C2=CCN(C(=O)c3cn(C)c(=O)[n-]c3=O)C2)cc1 ZINC000371616076 446938056 /nfs/dbraw/zinc/93/80/56/446938056.db2.gz KYWWASVFGGRQRU-UHFFFAOYSA-N -1 3 340.383 1.091 20 10 EDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000731909628 578682777 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CCCN(CCC)S(=O)(=O)[N-]c1ccc(O)cc1C(=O)OC ZINC000775286398 580387241 /nfs/dbraw/zinc/38/72/41/580387241.db2.gz HFVQSRVCMWISHP-UHFFFAOYSA-N -1 3 330.406 1.958 20 10 EDCDHM COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)c2cccc([O-])c2)c1 ZINC000779000405 580477708 /nfs/dbraw/zinc/47/77/08/580477708.db2.gz CZFLNHKLBHSYJA-NSHDSACASA-N -1 3 344.367 1.714 20 10 EDCDHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1O ZINC000780942078 580538310 /nfs/dbraw/zinc/53/83/10/580538310.db2.gz ZCGZOXFFLSMZSN-CYBMUJFWSA-N -1 3 332.400 1.881 20 10 EDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NCC(=O)c1ccccc1 ZINC000786293379 580666579 /nfs/dbraw/zinc/66/65/79/580666579.db2.gz VIISXHNVTQLXSD-SNVBAGLBSA-N -1 3 333.365 1.998 20 10 EDCDHM C[C@H]1OCC[C@@]12CN(Cc1cc3c(cc1[O-])OC[C@@H]3O)C[C@@H](C)O2 ZINC000790395075 580768398 /nfs/dbraw/zinc/76/83/98/580768398.db2.gz BHACKXFHDHAONU-AAYRVOQFSA-N -1 3 335.400 1.586 20 10 EDCDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])sc1SCC(N)=O ZINC000790532723 580772463 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CN(C)S(=O)(=O)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000367973225 250198971 /nfs/dbraw/zinc/19/89/71/250198971.db2.gz OGPLNNNSMOCOQW-UHFFFAOYSA-N -1 3 347.868 1.360 20 10 EDCDHM Cc1ccc(C(=O)NCCc2nnc3n2CCCCC3)c([O-])c1O ZINC000177666097 442368198 /nfs/dbraw/zinc/36/81/98/442368198.db2.gz MIIRVIREJMPSLO-UHFFFAOYSA-N -1 3 330.388 1.697 20 10 EDCDHM Cc1ccc(C(=O)N2CCN(c3cccs3)C(=O)C2)c([O-])c1O ZINC000186243534 442495292 /nfs/dbraw/zinc/49/52/92/442495292.db2.gz BEQVKMIMSASOFB-UHFFFAOYSA-N -1 3 332.381 1.957 20 10 EDCDHM CCN1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)CC1 ZINC000272534398 443353991 /nfs/dbraw/zinc/35/39/91/443353991.db2.gz AXYSAFCYDKJMFM-CQSZACIVSA-N -1 3 333.432 1.258 20 10 EDCDHM Cc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)c([O-])c1O ZINC000276583599 443755496 /nfs/dbraw/zinc/75/54/96/443755496.db2.gz HRZLCJSEPAGMDF-MEDUHNTESA-N -1 3 331.372 1.647 20 10 EDCDHM CN(C[C@H]1CCCN(Cc2cccc(F)c2[O-])C1)S(C)(=O)=O ZINC000289571651 444174089 /nfs/dbraw/zinc/17/40/89/444174089.db2.gz 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ZINC000840979145 591065183 /nfs/dbraw/zinc/06/51/83/591065183.db2.gz ZDRPTUIHKSUVEF-CYBMUJFWSA-N -1 3 341.429 1.333 20 10 EDCDHM CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)N(C)C)cc1 ZINC000899855339 591964370 /nfs/dbraw/zinc/96/43/70/591964370.db2.gz VGDFUSIOMVPXCO-ARFHVFGLSA-N -1 3 349.431 1.104 20 10 EDCDHM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1c([O-])cccc1F ZINC000900669525 592085389 /nfs/dbraw/zinc/08/53/89/592085389.db2.gz LWWVGFBNAYFROC-NHYWBVRUSA-N -1 3 339.363 1.848 20 10 EDCDHM COC(=O)C1CC2(C1)C[N@H+](Cc1cc(OC)ccc1[O-])C[C@@H]2C(=O)[O-] ZINC000903695380 592277451 /nfs/dbraw/zinc/27/74/51/592277451.db2.gz WKUAFJHKNARWII-HZEYSBKDSA-N -1 3 349.383 1.487 20 10 EDCDHM COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(OC)ccc1[O-])C[C@@H]2C(=O)[O-] ZINC000903695380 592277454 /nfs/dbraw/zinc/27/74/54/592277454.db2.gz WKUAFJHKNARWII-HZEYSBKDSA-N -1 3 349.383 1.487 20 10 EDCDHM Cc1ccc(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)c([O-])c1O ZINC000911843360 593022253 /nfs/dbraw/zinc/02/22/53/593022253.db2.gz 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/nfs/dbraw/zinc/66/19/62/593661962.db2.gz XFSPEEMTNBHACO-UHFFFAOYSA-N -1 3 343.401 1.737 20 10 EDCDHM CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1C(=O)[O-])cc2=O ZINC000820374414 593814205 /nfs/dbraw/zinc/81/42/05/593814205.db2.gz QDINCAGRRPCGBW-LBPRGKRZSA-N -1 3 348.359 1.051 20 10 EDCDHM CN(C)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1F ZINC000821589476 593872435 /nfs/dbraw/zinc/87/24/35/593872435.db2.gz OYLKULNDNBHAAK-UHFFFAOYSA-N -1 3 329.339 1.330 20 10 EDCDHM CN(C)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1F ZINC000821589476 593872437 /nfs/dbraw/zinc/87/24/37/593872437.db2.gz OYLKULNDNBHAAK-UHFFFAOYSA-N -1 3 329.339 1.330 20 10 EDCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1C[C@@H](O)C1 ZINC000821064743 593957627 /nfs/dbraw/zinc/95/76/27/593957627.db2.gz GRMCBVOEVBDHRY-DFBGVHRSSA-N -1 3 338.835 1.897 20 10 EDCDHM COC(=O)c1cc([O-])c(F)cc1NS(=O)(=O)N(C)CC1CC1 ZINC000830156006 594346471 /nfs/dbraw/zinc/34/64/71/594346471.db2.gz NRYVENVDPMODKQ-UHFFFAOYSA-N -1 3 332.353 1.316 20 10 EDCDHM COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)N(C)CC1CC1 ZINC000830156006 594346475 /nfs/dbraw/zinc/34/64/75/594346475.db2.gz NRYVENVDPMODKQ-UHFFFAOYSA-N -1 3 332.353 1.316 20 10 EDCDHM COc1cc(Br)cc(CN2CCC(O)(CO)CC2)c1[O-] ZINC000827147333 594648016 /nfs/dbraw/zinc/64/80/16/594648016.db2.gz QTODBESXDRHNQR-UHFFFAOYSA-N -1 3 346.221 1.483 20 10 EDCDHM Cc1cc([O-])c(CN2CCN(S(C)(=O)=O)[C@H](C)C2)cc1Cl ZINC000827266129 594657589 /nfs/dbraw/zinc/65/75/89/594657589.db2.gz PEWARVOPRDCKCV-LLVKDONJSA-N -1 3 332.853 1.820 20 10 EDCDHM Cc1cc([O-])c(CN2CCN(CC(=O)NC3CC3)CC2)c(Cl)c1 ZINC000840910630 594826704 /nfs/dbraw/zinc/82/67/04/594826704.db2.gz UJWSQTCJIYHVFG-UHFFFAOYSA-N -1 3 337.851 1.750 20 10 EDCDHM O=S(=O)(CCNCc1cccc(Br)c1[O-])C1CC1 ZINC000840964489 594833363 /nfs/dbraw/zinc/83/33/63/594833363.db2.gz MQYRZRBSRYBXCZ-UHFFFAOYSA-N -1 3 334.235 1.822 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C(F)(F)F ZINC000121594146 595085313 /nfs/dbraw/zinc/08/53/13/595085313.db2.gz KPFXELKDEFRANN-NSHDSACASA-N -1 3 341.713 1.944 20 10 EDCDHM Cc1cc(Cl)cc(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000843426329 595108037 /nfs/dbraw/zinc/10/80/37/595108037.db2.gz SRMNQWSVZBOEGZ-OAHLLOKOSA-N -1 3 345.848 1.744 20 10 EDCDHM COc1cc(Br)cc(CN2CN(C)C(=O)[C@H]2C)c1[O-] ZINC000843435470 595111017 /nfs/dbraw/zinc/11/10/17/595111017.db2.gz OKLJDVFKBKKVJU-MRVPVSSYSA-N -1 3 329.194 1.783 20 10 EDCDHM Cc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1C ZINC000837874411 595217592 /nfs/dbraw/zinc/21/75/92/595217592.db2.gz FIJPZHGCHYAMFU-UHFFFAOYSA-N -1 3 349.412 1.706 20 10 EDCDHM Cc1ccc(C(=O)NCC2(CS(C)(=O)=O)CCC2)c([O-])c1O ZINC000840551891 595262950 /nfs/dbraw/zinc/26/29/50/595262950.db2.gz ICGLEGMKENKMRG-UHFFFAOYSA-N -1 3 327.402 1.351 20 10 EDCDHM COC(=O)[C@H]1CSCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000840564855 595265449 /nfs/dbraw/zinc/26/54/49/595265449.db2.gz GQTUUGVRMGWLGP-SNVBAGLBSA-N -1 3 325.386 1.384 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(CC3(F)F)C2)c1 ZINC000846618908 595287570 /nfs/dbraw/zinc/28/75/70/595287570.db2.gz BAAJJTNZSMAYMW-CYBMUJFWSA-N -1 3 346.355 1.635 20 10 EDCDHM O=C(NCc1cc(Cl)ccc1[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000845105453 595442808 /nfs/dbraw/zinc/44/28/08/595442808.db2.gz XIZHLUHAKKCGIU-LBPRGKRZSA-N -1 3 346.836 1.812 20 10 EDCDHM COC(=O)c1cc2ccccc2c(CN2CCn3cnnc3C2)c1[O-] ZINC000111174712 595710734 /nfs/dbraw/zinc/71/07/34/595710734.db2.gz TYFNEUAETDBZKP-UHFFFAOYSA-N -1 3 338.367 1.939 20 10 EDCDHM CC[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000858569543 595831747 /nfs/dbraw/zinc/83/17/47/595831747.db2.gz KEKCNGRKYDTZCB-ZDUSSCGKSA-N -1 3 347.868 1.577 20 10 EDCDHM CCc1noc(C[C@]2(O)CCCN(C(=O)c3cc([O-])cs3)C2)n1 ZINC000856712445 596056458 /nfs/dbraw/zinc/05/64/58/596056458.db2.gz MEZMDDDJDVZSRA-OAHLLOKOSA-N -1 3 337.401 1.609 20 10 EDCDHM CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc2cccnc2c1[O-] ZINC000862026636 596185897 /nfs/dbraw/zinc/18/58/97/596185897.db2.gz VTVRKNYUIASRAT-HIFRSBDPSA-N -1 3 330.384 1.998 20 10 EDCDHM CCN1CCN(CC(=O)NCc2ccc3cccnc3c2[O-])CC1 ZINC000862027775 596186612 /nfs/dbraw/zinc/18/66/12/596186612.db2.gz FHHFAVOYPINFFE-UHFFFAOYSA-N -1 3 328.416 1.194 20 10 EDCDHM CN(CC(=O)N1CCOCC1)Cc1c([O-])cccc1Br ZINC000862212084 596275767 /nfs/dbraw/zinc/27/57/67/596275767.db2.gz GKCWOTMOUBQCIN-UHFFFAOYSA-N -1 3 343.221 1.445 20 10 EDCDHM COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)c1cc([O-])cs1 ZINC000862822638 596423468 /nfs/dbraw/zinc/42/34/68/596423468.db2.gz AFXHVTLFTLEQFT-WCBMZHEXSA-N -1 3 327.358 1.021 20 10 EDCDHM Cc1ccc(O)c(C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000867558734 596430952 /nfs/dbraw/zinc/43/09/52/596430952.db2.gz AIJMNLYGEBCOLP-UHFFFAOYSA-N -1 3 335.307 1.921 20 10 EDCDHM Cc1cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)n1-c1ccccc1 ZINC000863165664 596512027 /nfs/dbraw/zinc/51/20/27/596512027.db2.gz JYRFBPILSJVWPW-HNNXBMFYSA-N -1 3 340.383 1.308 20 10 EDCDHM C[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000877070685 597426114 /nfs/dbraw/zinc/42/61/14/597426114.db2.gz SIQGPPYNPIZRIZ-NOZJJQNGSA-N -1 3 336.342 1.688 20 10 EDCDHM CS(=O)(=O)C1(CNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000922281792 710589593 /nfs/dbraw/zinc/58/95/93/710589593.db2.gz NATCAAFPVRTFBQ-UHFFFAOYSA-N -1 3 330.381 1.298 20 10 EDCDHM CS(=O)(=O)N[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093530704 237024291 /nfs/dbraw/zinc/02/42/91/237024291.db2.gz NTFBEQFBVNYUGJ-LLVKDONJSA-N -1 3 349.250 1.278 20 10 EDCDHM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(O)c1[O-] ZINC000366096134 250189540 /nfs/dbraw/zinc/18/95/40/250189540.db2.gz RYGBAIMGMAGKKV-AWEZNQCLSA-N -1 3 326.352 1.629 20 10 EDCDHM COc1c([O-])c(CN2CCC3(CCOC3=O)CC2)ccc1[N+](=O)[O-] ZINC000372949589 250229797 /nfs/dbraw/zinc/22/97/97/250229797.db2.gz NOIGVJKGRYMGCR-UHFFFAOYSA-N -1 3 336.344 1.838 20 10 EDCDHM COC(=O)C=Cc1ccc(N(C)C[C@@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000132912358 533125464 /nfs/dbraw/zinc/12/54/64/533125464.db2.gz SWZUKVBFKIVYPF-BREXMAIKSA-N -1 3 346.347 1.534 20 10 EDCDHM COC(=O)C=Cc1ccc(N(C)C[C@@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000132912358 533125465 /nfs/dbraw/zinc/12/54/65/533125465.db2.gz SWZUKVBFKIVYPF-BREXMAIKSA-N -1 3 346.347 1.534 20 10 EDCDHM COCCCN(Cc1cc(F)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179888762 442515569 /nfs/dbraw/zinc/51/55/69/442515569.db2.gz QNGGKBFMWNLKHA-AWEZNQCLSA-N -1 3 331.409 1.557 20 10 EDCDHM CC(=O)c1cc(F)cc(CN(CCS(C)(=O)=O)C2CC2)c1[O-] ZINC000156893791 442531018 /nfs/dbraw/zinc/53/10/18/442531018.db2.gz RJBUUUSXQHETKU-UHFFFAOYSA-N -1 3 329.393 1.743 20 10 EDCDHM Cc1cc(Cl)cc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c1[O-] ZINC000181929235 442722328 /nfs/dbraw/zinc/72/23/28/442722328.db2.gz JQMBIIPYRHMCQR-NSHDSACASA-N -1 3 332.853 1.820 20 10 EDCDHM CN(C[C@H]1CCCO1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000264035699 443246737 /nfs/dbraw/zinc/24/67/37/443246737.db2.gz UEAOPPKGARMEMR-LLVKDONJSA-N -1 3 328.390 1.015 20 10 EDCDHM CCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272859247 443470269 /nfs/dbraw/zinc/47/02/69/443470269.db2.gz UNEZXEVJHSQXQT-LBPRGKRZSA-N -1 3 338.429 1.838 20 10 EDCDHM CCC(CC)(CCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000283080489 443516408 /nfs/dbraw/zinc/51/64/08/443516408.db2.gz KRTMZHUMISOPCD-UHFFFAOYSA-N -1 3 344.433 1.435 20 10 EDCDHM COCCCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272271767 443575732 /nfs/dbraw/zinc/57/57/32/443575732.db2.gz RYHPSAMQWFKDSA-UHFFFAOYSA-N -1 3 329.780 1.974 20 10 EDCDHM COC(=O)C[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])CCO1 ZINC000273758159 443585666 /nfs/dbraw/zinc/58/56/66/443585666.db2.gz ONHHQJACVZJDMO-GFCCVEGCSA-N -1 3 329.780 1.818 20 10 EDCDHM CN(Cc1nccc(N)n1)[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000275680193 443637557 /nfs/dbraw/zinc/63/75/57/443637557.db2.gz MAGLGBSZMDLWEI-CYBMUJFWSA-N -1 3 331.395 1.610 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1O ZINC000284225154 443769358 /nfs/dbraw/zinc/76/93/58/443769358.db2.gz JYTYSMBESUXVFW-JTQLQIEISA-N -1 3 335.335 1.790 20 10 EDCDHM CON(C)C(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000291896655 443772013 /nfs/dbraw/zinc/77/20/13/443772013.db2.gz QZEQHHHBSQXZBJ-UHFFFAOYSA-N -1 3 338.379 1.966 20 10 EDCDHM CN(C)C(=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277145711 443918748 /nfs/dbraw/zinc/91/87/48/443918748.db2.gz ARNVLZWILKRIRR-UHFFFAOYSA-N -1 3 339.779 1.288 20 10 EDCDHM Cn1ccnc(N2CCC[C@H](NCc3cc(Cl)ccc3[O-])C2)c1=O ZINC000370177051 446188942 /nfs/dbraw/zinc/18/89/42/446188942.db2.gz XNHUZOVHWPBKEJ-AWEZNQCLSA-N -1 3 348.834 1.898 20 10 EDCDHM CNC(=O)NC[C@H]1CN(Cc2c([O-])ccc3ccccc32)CCO1 ZINC000529644134 448915793 /nfs/dbraw/zinc/91/57/93/448915793.db2.gz SLDCNROVXRVDGC-AWEZNQCLSA-N -1 3 329.400 1.675 20 10 EDCDHM C[C@@]1(c2cccc(NC(=O)Cc3ccc(N)cc3)c2)NC(=O)[N-]C1=O ZINC000746326901 579587618 /nfs/dbraw/zinc/58/76/18/579587618.db2.gz ILGCGKXOMQSNOB-SFHVURJKSA-N -1 3 338.367 1.505 20 10 EDCDHM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cccc(O)c1[O-] ZINC000768259494 580209879 /nfs/dbraw/zinc/20/98/79/580209879.db2.gz FWLJGPGYJUIZJK-ZDUSSCGKSA-N -1 3 330.340 1.397 20 10 EDCDHM COc1c([O-])c(CN2CCN(CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775098035 580382825 /nfs/dbraw/zinc/38/28/25/580382825.db2.gz PEEIOLNMIDKWDJ-UHFFFAOYSA-N -1 3 339.392 1.198 20 10 EDCDHM Cn1nnc(CNCc2ccc(OCc3ccccc3)cc2[O-])n1 ZINC000787333950 580693382 /nfs/dbraw/zinc/69/33/82/580693382.db2.gz BDQABWWMITWVGK-UHFFFAOYSA-N -1 3 325.372 1.785 20 10 EDCDHM COc1cccc(C(=O)NCCNC(=O)c2cccc(O)c2[O-])c1 ZINC000790515522 580772185 /nfs/dbraw/zinc/77/21/85/580772185.db2.gz ABZTTWFMLRTNTH-UHFFFAOYSA-N -1 3 330.340 1.266 20 10 EDCDHM COCCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000794165068 580878693 /nfs/dbraw/zinc/87/86/93/580878693.db2.gz NWPISMGABXUIRP-UHFFFAOYSA-N -1 3 342.417 1.453 20 10 EDCDHM Cn1nc(C(=O)NCc2cc(Br)ccc2[O-])ccc1=O ZINC000804734978 590755721 /nfs/dbraw/zinc/75/57/21/590755721.db2.gz GJCFECQHJAXDKD-UHFFFAOYSA-N -1 3 338.161 1.178 20 10 EDCDHM Cn1cccc(C(=O)NCc2cc(Br)ccc2[O-])c1=O ZINC000804737001 590756593 /nfs/dbraw/zinc/75/65/93/590756593.db2.gz AAHVRBWKDXSXDL-UHFFFAOYSA-N -1 3 337.173 1.783 20 10 EDCDHM O=C1NCC2(CCOCC2)[C@@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000895768192 591268610 /nfs/dbraw/zinc/26/86/10/591268610.db2.gz FZBSGPWATNJBKN-CYBMUJFWSA-N -1 3 328.771 1.570 20 10 EDCDHM O=C1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H](c2ccccc2)CN1 ZINC000902556666 592012664 /nfs/dbraw/zinc/01/26/64/592012664.db2.gz ALBOXNGRTUZZOA-DOTOQJQBSA-N -1 3 340.379 1.491 20 10 EDCDHM C[N@@H+]1CC[C@@H](CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000911360566 593005989 /nfs/dbraw/zinc/00/59/89/593005989.db2.gz UYSRRVFFGRMHIB-NSHDSACASA-N -1 3 340.807 1.801 20 10 EDCDHM C[N@H+]1CC[C@@H](CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000911360566 593005991 /nfs/dbraw/zinc/00/59/91/593005991.db2.gz UYSRRVFFGRMHIB-NSHDSACASA-N -1 3 340.807 1.801 20 10 EDCDHM Cn1nncc1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000809906559 593370790 /nfs/dbraw/zinc/37/07/90/593370790.db2.gz NSEZMOUVJQFERX-UHFFFAOYSA-N -1 3 326.154 1.605 20 10 EDCDHM COc1nccc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000804236793 593399392 /nfs/dbraw/zinc/39/93/92/593399392.db2.gz ARJHADQTVISWIW-UHFFFAOYSA-N -1 3 348.746 1.813 20 10 EDCDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])CCO1 ZINC000761201180 593412914 /nfs/dbraw/zinc/41/29/14/593412914.db2.gz DZMRGISYBDFSDL-ZDUSSCGKSA-N -1 3 329.780 1.818 20 10 EDCDHM COc1cccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1O ZINC000821868995 593957171 /nfs/dbraw/zinc/95/71/71/593957171.db2.gz XQQCHSDBXMZUQG-UHFFFAOYSA-N -1 3 339.355 1.440 20 10 EDCDHM COc1cccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1O ZINC000821868995 593957173 /nfs/dbraw/zinc/95/71/73/593957173.db2.gz XQQCHSDBXMZUQG-UHFFFAOYSA-N -1 3 339.355 1.440 20 10 EDCDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCc1ccc(O)c(O)c1 ZINC000822978354 594130856 /nfs/dbraw/zinc/13/08/56/594130856.db2.gz HPHAMHXEZYJXCY-UHFFFAOYSA-N -1 3 339.355 1.527 20 10 EDCDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCc1ccc(O)c(O)c1 ZINC000822978354 594130858 /nfs/dbraw/zinc/13/08/58/594130858.db2.gz 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COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Br)ccc1[O-] ZINC000188783051 442812257 /nfs/dbraw/zinc/81/22/57/442812257.db2.gz AFBAWMGWXWJJIU-CHWSQXEVSA-N -1 3 344.205 1.653 20 10 EDCDHM COC(=O)[C@H]1CCN(Cc2cc(F)ccc2[O-])[C@H](C(=O)OC)C1 ZINC000272576310 443369156 /nfs/dbraw/zinc/36/91/56/443369156.db2.gz XBNHDKNHORIBTE-GWCFXTLKSA-N -1 3 325.336 1.458 20 10 EDCDHM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000271317716 443500880 /nfs/dbraw/zinc/50/08/80/443500880.db2.gz WQDCCMQBTBZTTC-PWSUYJOCSA-N -1 3 338.429 1.836 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000271244492 443498058 /nfs/dbraw/zinc/49/80/58/443498058.db2.gz JBWHNHMZVRXDLN-GXTWGEPZSA-N -1 3 340.401 1.157 20 10 EDCDHM CCN(CC)C(=O)CN1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279567165 443608402 /nfs/dbraw/zinc/60/84/02/443608402.db2.gz OCBRSHYRNYIRQO-UHFFFAOYSA-N -1 3 349.431 1.114 20 10 EDCDHM COc1ccc(OC)c2c1CN(C(=O)c1cccc(O)c1[O-])C[C@@H]2O ZINC000275013905 443617999 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Cc1ccoc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000294289202 444110720 /nfs/dbraw/zinc/11/07/20/444110720.db2.gz YZKNFPIDKHZAIN-UHFFFAOYSA-N -1 3 338.385 1.937 20 10 EDCDHM O=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000278359974 444146448 /nfs/dbraw/zinc/14/64/48/444146448.db2.gz NKBHCJQSPUQJFB-UHFFFAOYSA-N -1 3 340.379 1.625 20 10 EDCDHM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000366173128 446060384 /nfs/dbraw/zinc/06/03/84/446060384.db2.gz UENSCEQJYNSFGM-OAHLLOKOSA-N -1 3 326.352 1.720 20 10 EDCDHM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000372319816 447038414 /nfs/dbraw/zinc/03/84/14/447038414.db2.gz ILSRZDGDOYEGOM-NSHDSACASA-N -1 3 343.339 1.105 20 10 EDCDHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2[O-])C1 ZINC000174854113 528055617 /nfs/dbraw/zinc/05/56/17/528055617.db2.gz KRVWJYIBLBZKCF-HNNXBMFYSA-N -1 3 334.416 1.626 20 10 EDCDHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000760141430 580024124 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COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780848391 580534914 /nfs/dbraw/zinc/53/49/14/580534914.db2.gz MIENFWDMCWOGSI-AWEZNQCLSA-N -1 3 329.352 1.920 20 10 EDCDHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000780944589 580538325 /nfs/dbraw/zinc/53/83/25/580538325.db2.gz VSYXQGYQUHXUAC-LBPRGKRZSA-N -1 3 337.372 1.591 20 10 EDCDHM Cc1ccc(C(=O)NC[C@H](O)COc2cccc(F)c2)c([O-])c1O ZINC000780967264 580538992 /nfs/dbraw/zinc/53/89/92/580538992.db2.gz FLKRQBCVGJUNRZ-LBPRGKRZSA-N -1 3 335.331 1.715 20 10 EDCDHM O=C(NCc1cc(Br)ccc1[O-])c1ccc2nnnn2c1 ZINC000804734442 590755920 /nfs/dbraw/zinc/75/59/20/590755920.db2.gz LIAZKJFEPORVHV-UHFFFAOYSA-N -1 3 348.160 1.522 20 10 EDCDHM Cn1cc(C(=O)C(=O)NCc2cc(Br)ccc2[O-])cn1 ZINC000804736736 590756242 /nfs/dbraw/zinc/75/62/42/590756242.db2.gz ZGQJKROYAKOOTE-UHFFFAOYSA-N -1 3 338.161 1.387 20 10 EDCDHM O=C(c1cc2cc(O)c([O-])cc2s1)N1CCN(c2ncc[nH]2)CC1 ZINC000897578292 591562739 /nfs/dbraw/zinc/56/27/39/591562739.db2.gz 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ZINC000265316373 443604681 /nfs/dbraw/zinc/60/46/81/443604681.db2.gz CQQJCFUNIBAFLR-NSHDSACASA-N -1 3 344.433 1.291 20 10 EDCDHM COc1ccc(OC)c(CN(CCO)C(=O)c2cccc(O)c2[O-])c1 ZINC000275020435 443617971 /nfs/dbraw/zinc/61/79/71/443617971.db2.gz ZVKFCPUKNPWUDF-UHFFFAOYSA-N -1 3 347.367 1.750 20 10 EDCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c([O-])c1O ZINC000275775943 443641849 /nfs/dbraw/zinc/64/18/49/443641849.db2.gz CBTRTUJDPILWRZ-FZMZJTMJSA-N -1 3 331.372 1.790 20 10 EDCDHM Cc1noc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCN2C)n1 ZINC000286311035 443688120 /nfs/dbraw/zinc/68/81/20/443688120.db2.gz WDWXABXVGHAHHA-LBPRGKRZSA-N -1 3 332.360 1.227 20 10 EDCDHM Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000280390413 443711149 /nfs/dbraw/zinc/71/11/49/443711149.db2.gz UVLKXELZBTVGPN-RYUDHWBXSA-N -1 3 348.378 1.174 20 10 EDCDHM COC[C@@H]1C[C@H](OC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000284637195 443782134 /nfs/dbraw/zinc/78/21/34/443782134.db2.gz UBVBWDZQTCQLSG-RYUDHWBXSA-N -1 3 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CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2O)c1 ZINC000751319416 579801405 /nfs/dbraw/zinc/80/14/05/579801405.db2.gz WDPYROLLYXSPGF-SNVBAGLBSA-N -1 3 325.390 1.657 20 10 EDCDHM COc1cc(NC(=O)CNC(=O)c2cc([O-])cs2)cc(OC)c1 ZINC000752816749 579866430 /nfs/dbraw/zinc/86/64/30/579866430.db2.gz XDCLYLDVCSQBSS-UHFFFAOYSA-N -1 3 336.369 1.839 20 10 EDCDHM CCNC(=O)NC(=O)[C@H](C)N(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000756334811 579948331 /nfs/dbraw/zinc/94/83/31/579948331.db2.gz CMFQAXGSUHNKHO-ZFWWWQNUSA-N -1 3 349.431 1.607 20 10 EDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(C(N)=O)nc2)c1 ZINC000756640559 579954071 /nfs/dbraw/zinc/95/40/71/579954071.db2.gz OLCOWMLDAVSLRH-JTQLQIEISA-N -1 3 329.356 1.524 20 10 EDCDHM CCOC(=O)[C@H](Cc1ccccn1)NCc1cc2c(cc1[O-])OCO2 ZINC000763482189 580100767 /nfs/dbraw/zinc/10/07/67/580100767.db2.gz WHNLNLXIGCNQGU-AWEZNQCLSA-N -1 3 344.367 1.780 20 10 EDCDHM O=C(CCc1nnc[nH]1)NCc1cccc(Br)c1[O-] ZINC000765750206 580150541 /nfs/dbraw/zinc/15/05/41/580150541.db2.gz 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341.791 1.972 20 10 EDCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCCSC[C@H]1C1CC1)cc2=O ZINC000903947147 592394104 /nfs/dbraw/zinc/39/41/04/592394104.db2.gz SXNIWDHASXYRCZ-ZDUSSCGKSA-N -1 3 348.428 1.851 20 10 EDCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000731861536 592928135 /nfs/dbraw/zinc/92/81/35/592928135.db2.gz FDKQHUYJEJOOPM-QMMMGPOBSA-N -1 3 326.399 1.592 20 10 EDCDHM C[C@]1(C(=O)NCc2ccc3cccnc3c2[O-])CCCS1(=O)=O ZINC000911263328 592978993 /nfs/dbraw/zinc/97/89/93/592978993.db2.gz YNRGJJUVJHQDDU-MRXNPFEDSA-N -1 3 334.397 1.524 20 10 EDCDHM COC[C@@H](CNC(=O)NCc1cc(Br)ccc1[O-])OC ZINC000807092626 593143284 /nfs/dbraw/zinc/14/32/84/593143284.db2.gz DVLWOVJQRTUJQE-LLVKDONJSA-N -1 3 347.209 1.615 20 10 EDCDHM COCc1nc(NC(=O)c2cccc(O)c2[O-])sc1C(=O)OC ZINC000807527004 593178303 /nfs/dbraw/zinc/17/83/03/593178303.db2.gz CGNWQOZHMYPKFL-UHFFFAOYSA-N -1 3 338.341 1.740 20 10 EDCDHM CCNC(=O)CNC(=O)NCc1cc(Br)ccc1[O-] ZINC000804871137 593315169 /nfs/dbraw/zinc/31/51/69/593315169.db2.gz 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O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826498992 594502953 /nfs/dbraw/zinc/50/29/53/594502953.db2.gz RFIRKNJDPAMEFT-UHFFFAOYSA-N -1 3 326.316 1.770 20 10 EDCDHM Cc1cc([O-])c(CN(CCN(C)C)CC(=O)N(C)C)c(Cl)c1 ZINC000827158031 594649051 /nfs/dbraw/zinc/64/90/51/594649051.db2.gz MEEPVUYHGYMOPG-UHFFFAOYSA-N -1 3 327.856 1.806 20 10 EDCDHM Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c([O-])c1O ZINC000837095370 595035107 /nfs/dbraw/zinc/03/51/07/595035107.db2.gz CIOJSVZZPJZRHV-RYUDHWBXSA-N -1 3 325.386 1.198 20 10 EDCDHM Cc1cc([O-])c(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(Cl)c1 ZINC000843426116 595107727 /nfs/dbraw/zinc/10/77/27/595107727.db2.gz NHNNTJQPWLQTES-HNNXBMFYSA-N -1 3 345.848 1.744 20 10 EDCDHM C[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1 ZINC000834659558 595185599 /nfs/dbraw/zinc/18/55/99/595185599.db2.gz FYFHKROWILJZQC-VHSXEESVSA-N -1 3 344.458 1.778 20 10 EDCDHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846475784 595244542 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O=C(NCc1ccc2cccnc2c1[O-])[C@]12CCC(=O)N1CCS2 ZINC000862028523 596186711 /nfs/dbraw/zinc/18/67/11/596186711.db2.gz BRIGGYZCXDTFQI-QGZVFWFLSA-N -1 3 343.408 1.622 20 10 EDCDHM O=C(NCc1ccc2cccnc2c1[O-])[C@@]12CCC(=O)N1CCS2 ZINC000862028522 596186903 /nfs/dbraw/zinc/18/69/03/596186903.db2.gz BRIGGYZCXDTFQI-KRWDZBQOSA-N -1 3 343.408 1.622 20 10 EDCDHM COc1ccc(N2CC[C@H](CNC(=O)c3cc(=O)[n-]cn3)C2)cc1 ZINC000862034703 596188989 /nfs/dbraw/zinc/18/89/89/596188989.db2.gz ADWGWSSFBKZJCU-GFCCVEGCSA-N -1 3 328.372 1.447 20 10 EDCDHM COC(=O)[C@]1(OC)CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000862475704 596334582 /nfs/dbraw/zinc/33/45/82/596334582.db2.gz UQOWFSOXWRHYQU-AWEZNQCLSA-N -1 3 344.205 1.919 20 10 EDCDHM CNS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000862550048 596344569 /nfs/dbraw/zinc/34/45/69/596344569.db2.gz BHVFUHJPXTYCFM-LLVKDONJSA-N -1 3 332.853 1.807 20 10 EDCDHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N(C)C)cc1C ZINC000866798216 596351919 /nfs/dbraw/zinc/35/19/19/596351919.db2.gz 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Nc1ccc(CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000237890421 443186955 /nfs/dbraw/zinc/18/69/55/443186955.db2.gz NGXNILXPNXINQP-UHFFFAOYSA-N -1 3 339.395 1.502 20 10 EDCDHM CCc1nsc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000185759890 443252782 /nfs/dbraw/zinc/25/27/82/443252782.db2.gz BPPNOAYJTVWSPL-UHFFFAOYSA-N -1 3 334.401 1.474 20 10 EDCDHM COC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000271685606 443509037 /nfs/dbraw/zinc/50/90/37/443509037.db2.gz DHDSIQUZVPYZAR-UHFFFAOYSA-N -1 3 342.417 1.405 20 10 EDCDHM CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N1CCOCC1 ZINC000273576851 443581545 /nfs/dbraw/zinc/58/15/45/443581545.db2.gz LYTSQHXPBQPILQ-BXUZGUMPSA-N -1 3 337.376 1.588 20 10 EDCDHM CCCS(=O)(=O)NC1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272307829 443587766 /nfs/dbraw/zinc/58/77/66/443587766.db2.gz RDYHFKOITNCEOB-UHFFFAOYSA-N -1 3 330.425 1.825 20 10 EDCDHM CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000274447272 443605747 /nfs/dbraw/zinc/60/57/47/443605747.db2.gz 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Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000790579061 580773320 /nfs/dbraw/zinc/77/33/20/580773320.db2.gz FECULLWFKVETMN-CYBMUJFWSA-N -1 3 331.368 1.884 20 10 EDCDHM NC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790722470 580777153 /nfs/dbraw/zinc/77/71/53/580777153.db2.gz UGMGRAJRBKFXIC-UHFFFAOYSA-N -1 3 340.379 1.757 20 10 EDCDHM C[C@@H](O)CN1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894000673 591164685 /nfs/dbraw/zinc/16/46/85/591164685.db2.gz HMFNBRCIOLFUHW-SNVBAGLBSA-N -1 3 347.228 1.792 20 10 EDCDHM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892817213 591191826 /nfs/dbraw/zinc/19/18/26/591191826.db2.gz BOFZKZULGUGMED-STQMWFEESA-N -1 3 339.823 1.708 20 10 EDCDHM CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)N(C)C)cc1 ZINC000899854948 591964454 /nfs/dbraw/zinc/96/44/54/591964454.db2.gz QNGXEEAXZJVHKB-ARFHVFGLSA-N -1 3 347.459 1.828 20 10 EDCDHM CN(C)c1ccc([C@@H](CNC(=O)N(CC(=O)[O-])C2CC2)N(C)C)cc1 ZINC000900312097 591984788 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C[C@H](C(=O)NCc1cc(Br)ccc1[O-])[C@@H]1CCC(=O)N1 ZINC000861687346 596068646 /nfs/dbraw/zinc/06/86/46/596068646.db2.gz MKDCXTBBHINZBF-KWQFWETISA-N -1 3 341.205 1.686 20 10 EDCDHM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(=O)[n-]cn1 ZINC000862225733 596279773 /nfs/dbraw/zinc/27/97/73/596279773.db2.gz FDHIVAUCYJDEPQ-UHFFFAOYSA-N -1 3 328.372 1.073 20 10 EDCDHM [O-]c1cccc(Br)c1CN1CCN2CCOC[C@@H]2C1 ZINC000862324841 596301972 /nfs/dbraw/zinc/30/19/72/596301972.db2.gz WOFVCYXYGFGDHE-NSHDSACASA-N -1 3 327.222 1.671 20 10 EDCDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000866797019 596351468 /nfs/dbraw/zinc/35/14/68/596351468.db2.gz NFIZSVRYLZWVMZ-UHFFFAOYSA-N -1 3 327.431 1.702 20 10 EDCDHM COC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)c1cc([O-])cs1 ZINC000862725566 596397587 /nfs/dbraw/zinc/39/75/87/596397587.db2.gz RGFSJSNZMCNKAC-ZDUSSCGKSA-N -1 3 335.381 1.976 20 10 EDCDHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C)nn3)C2)cc1 ZINC000867498371 596399165 /nfs/dbraw/zinc/39/91/65/596399165.db2.gz 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1.974 20 10 EDCDHM COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000278461169 443339289 /nfs/dbraw/zinc/33/92/89/443339289.db2.gz ZYFQGNDFQNOXFC-PWSUYJOCSA-N -1 3 338.360 1.940 20 10 EDCDHM COc1ccnc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000271286444 443499103 /nfs/dbraw/zinc/49/91/03/443499103.db2.gz PDEHNSLXXQVKRW-UHFFFAOYSA-N -1 3 343.383 1.772 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000271376226 443502228 /nfs/dbraw/zinc/50/22/28/443502228.db2.gz GWHBINOWLYBRIY-ZDUSSCGKSA-N -1 3 340.401 1.015 20 10 EDCDHM CO[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000271385615 443502603 /nfs/dbraw/zinc/50/26/03/443502603.db2.gz KZYSAIVLKWXVNF-ZDUSSCGKSA-N -1 3 330.406 1.165 20 10 EDCDHM CS(=O)(=O)NC[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271852862 443515855 /nfs/dbraw/zinc/51/58/55/443515855.db2.gz WKZQEERBKWKSNT-LLVKDONJSA-N -1 3 332.853 1.807 20 10 EDCDHM NC(=O)c1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)nc1 ZINC000272327092 443592486 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O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000375916751 447145942 /nfs/dbraw/zinc/14/59/42/447145942.db2.gz CFELOKDDBZJZBQ-AWEZNQCLSA-N -1 3 330.315 1.550 20 10 EDCDHM COC[C@@]1(NC(=O)c2cccc(O)c2[O-])COc2ccccc2C1 ZINC000529961441 449013693 /nfs/dbraw/zinc/01/36/93/449013693.db2.gz WJRSWYUXYNRGTM-GOSISDBHSA-N -1 3 329.352 1.848 20 10 EDCDHM CCCN(Cc1nc(CS(C)(=O)=O)no1)Cc1ccccc1[O-] ZINC000174374105 528155761 /nfs/dbraw/zinc/15/57/61/528155761.db2.gz YAVKCMAMAISYKC-UHFFFAOYSA-N -1 3 339.417 1.732 20 10 EDCDHM CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000731866943 578682150 /nfs/dbraw/zinc/68/21/50/578682150.db2.gz LDJUTWFEDGDDST-UHFFFAOYSA-N -1 3 340.426 1.433 20 10 EDCDHM O=C(COC(=O)c1cc([O-])cs1)NC[C@@H]1COc2ccccc2O1 ZINC000731911978 578682897 /nfs/dbraw/zinc/68/28/97/578682897.db2.gz PEFSTXRHGKZAPY-LLVKDONJSA-N -1 3 349.364 1.567 20 10 EDCDHM O=S1(=O)CCN(Cc2cc3c(cc2[O-])OCO3)[C@H]2CCCC[C@H]21 ZINC000754015088 579893919 /nfs/dbraw/zinc/89/39/19/579893919.db2.gz 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CC(=O)NC(C)(C)C(=O)NCc1cc(Br)ccc1[O-] ZINC000804736323 590755706 /nfs/dbraw/zinc/75/57/06/590755706.db2.gz QEPWCXZEOLSATB-UHFFFAOYSA-N -1 3 329.194 1.686 20 10 EDCDHM COC(=O)N1CC(NCc2cc(Br)cc(F)c2[O-])C1 ZINC000883050919 591238751 /nfs/dbraw/zinc/23/87/51/591238751.db2.gz GTSAMYZOGJZHTF-UHFFFAOYSA-N -1 3 333.157 1.834 20 10 EDCDHM O=C(N[C@@H](CO)C1CCOCC1)c1cc2cc(O)c([O-])cc2s1 ZINC000897363595 591339372 /nfs/dbraw/zinc/33/93/72/591339372.db2.gz NCKJNUSGICHCDI-NSHDSACASA-N -1 3 337.397 1.830 20 10 EDCDHM CN1C(=O)NC2(CCN(Cc3cc(F)cc(F)c3[O-])CC2)C1=O ZINC000894777089 591414727 /nfs/dbraw/zinc/41/47/27/591414727.db2.gz MNIBUQCEXDLZRO-UHFFFAOYSA-N -1 3 325.315 1.187 20 10 EDCDHM CCOC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC12COC2 ZINC000894869349 591451803 /nfs/dbraw/zinc/45/18/03/591451803.db2.gz UGWLYQXLBBXQKT-GFCCVEGCSA-N -1 3 327.327 1.682 20 10 EDCDHM CN(C)c1ccc(C=CCNCc2n[n-]c(CS(C)(=O)=O)n2)cc1 ZINC000897888038 591708472 /nfs/dbraw/zinc/70/84/72/591708472.db2.gz ZQNHTGLVVOWKDZ-PLNGDYQASA-N 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O=C(NCc1ccc(N2CCOC2=O)cc1)c1cccc(O)c1[O-] ZINC000790925671 580781431 /nfs/dbraw/zinc/78/14/31/580781431.db2.gz BBXDWXGLHYJLAG-UHFFFAOYSA-N -1 3 328.324 1.984 20 10 EDCDHM COc1ccc2c(c1)nc(CNC(=O)c1cccc(O)c1[O-])n2C ZINC000790938578 580781736 /nfs/dbraw/zinc/78/17/36/580781736.db2.gz ZAMIUNVNONCNKG-UHFFFAOYSA-N -1 3 327.340 1.923 20 10 EDCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)N1CCC1 ZINC000795868681 580939726 /nfs/dbraw/zinc/93/97/26/580939726.db2.gz RKMROMUSAAHRBY-UHFFFAOYSA-N -1 3 349.250 1.927 20 10 EDCDHM COC[C@@H](C)S(=O)(=O)NCc1cc(Br)ccc1[O-] ZINC000796190972 580947948 /nfs/dbraw/zinc/94/79/48/580947948.db2.gz OHKQIOCFIGNZFY-MRVPVSSYSA-N -1 3 338.223 1.609 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2cccnc2)c1 ZINC000798145673 580988452 /nfs/dbraw/zinc/98/84/52/580988452.db2.gz NWFASGXHKZZJDX-OCCSQVGLSA-N -1 3 347.396 1.445 20 10 EDCDHM CN1CC[C@@H](C(=O)NCc2cc(Br)ccc2[O-])C1=O ZINC000804739649 590757389 /nfs/dbraw/zinc/75/73/89/590757389.db2.gz NNDVKVFLQIGKOG-JTQLQIEISA-N -1 3 327.178 1.249 20 10 EDCDHM O=C1NCCN1CC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000897579887 591564411 /nfs/dbraw/zinc/56/44/11/591564411.db2.gz ABZVUHRROGWVJP-UHFFFAOYSA-N -1 3 325.359 1.908 20 10 EDCDHM O=C1NC[C@@H](O)CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000897042809 591723067 /nfs/dbraw/zinc/72/30/67/591723067.db2.gz QUSSXPRHVZQTBN-JTQLQIEISA-N -1 3 342.798 1.648 20 10 EDCDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000899414297 591799567 /nfs/dbraw/zinc/79/95/67/591799567.db2.gz QYPSIGQOQZRFLE-AAXDQBDMSA-N -1 3 338.429 1.786 20 10 EDCDHM COC(=O)C1CC2(C1)C[N@H+](Cc1cc(C)ccc1[O-])C[C@H]2C(=O)[O-] ZINC000903694478 592277683 /nfs/dbraw/zinc/27/76/83/592277683.db2.gz XOGZFUXDUGRPTK-FVRSWCFKSA-N -1 3 333.384 1.786 20 10 EDCDHM COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(C)ccc1[O-])C[C@H]2C(=O)[O-] ZINC000903694478 592277688 /nfs/dbraw/zinc/27/76/88/592277688.db2.gz XOGZFUXDUGRPTK-FVRSWCFKSA-N -1 3 333.384 1.786 20 10 EDCDHM CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc(Br)ccc1[O-] ZINC000908171459 592358992 /nfs/dbraw/zinc/35/89/92/592358992.db2.gz YJTSELPVTVEHFF-RISCZKNCSA-N -1 3 343.221 1.226 20 10 EDCDHM CCCN(Cc1cn(Cc2ncon2)nn1)Cc1ccccc1[O-] ZINC000906272977 592770552 /nfs/dbraw/zinc/77/05/52/592770552.db2.gz JPENSJBCHFSUJG-UHFFFAOYSA-N -1 3 328.376 1.827 20 10 EDCDHM CCN(CC)CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911359613 593005375 /nfs/dbraw/zinc/00/53/75/593005375.db2.gz CZPOOGLUPNCVKD-UHFFFAOYSA-N -1 3 328.796 1.801 20 10 EDCDHM COCC[C@@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839810925 593153030 /nfs/dbraw/zinc/15/30/30/593153030.db2.gz OTGSYAFCLMDIKF-SNVBAGLBSA-N -1 3 330.406 1.166 20 10 EDCDHM CC[S@@](=O)CCNC(=O)NCc1cc(Br)ccc1[O-] ZINC000805125514 593351195 /nfs/dbraw/zinc/35/11/95/593351195.db2.gz MXSKXSUJFVTCBH-LJQANCHMSA-N -1 3 349.250 1.723 20 10 EDCDHM O=C(NCc1cccnn1)NCc1cc(Br)ccc1[O-] ZINC000805366224 593440093 /nfs/dbraw/zinc/44/00/93/593440093.db2.gz RDMJNKXFHFJKDV-UHFFFAOYSA-N -1 3 337.177 1.944 20 10 EDCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000830180100 594351076 /nfs/dbraw/zinc/35/10/76/594351076.db2.gz HPQBHBOPXQRHKY-SECBINFHSA-N -1 3 348.296 1.948 20 10 EDCDHM C[C@@H]1CN(CCCNC(=O)c2c(F)ccc(O)c2[O-])CCCO1 ZINC000830488466 594405406 /nfs/dbraw/zinc/40/54/06/594405406.db2.gz UWHDNCSECNXLEL-LLVKDONJSA-N -1 3 326.368 1.468 20 10 EDCDHM COc1c([O-])c(CN(CCOCCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000827203347 594652457 /nfs/dbraw/zinc/65/24/57/594652457.db2.gz BQRBBNKTGYAANP-UHFFFAOYSA-N -1 3 340.376 1.672 20 10 EDCDHM CO[C@H]([C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000837015267 595024315 /nfs/dbraw/zinc/02/43/15/595024315.db2.gz SRPKSMRGQHDUTE-YMTOWFKASA-N -1 3 342.417 1.307 20 10 EDCDHM Cn1ncc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000842254526 595056662 /nfs/dbraw/zinc/05/66/62/595056662.db2.gz WFHCIDROHACFIP-UHFFFAOYSA-N -1 3 335.751 1.139 20 10 EDCDHM Cn1cnc(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000842258470 595057481 /nfs/dbraw/zinc/05/74/81/595057481.db2.gz ONCVHLQGQIJVQV-UHFFFAOYSA-N -1 3 348.790 1.786 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C2)c1 ZINC000106289156 595216265 /nfs/dbraw/zinc/21/62/65/595216265.db2.gz RKCIPPVVYPAAPO-UHFFFAOYSA-N -1 3 332.381 1.920 20 10 EDCDHM COc1c([O-])c(CN[C@@H]2C[C@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000835073573 595257459 /nfs/dbraw/zinc/25/74/59/595257459.db2.gz NJYNENGIHDVSJI-VXGBXAGGSA-N -1 3 335.360 1.552 20 10 EDCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000844096876 595271788 /nfs/dbraw/zinc/27/17/88/595271788.db2.gz KMGTXSKZKFQAJZ-CQSZACIVSA-N -1 3 346.305 1.547 20 10 EDCDHM Cc1cc([O-])c(CN2CCC[C@H](N3CCNCC3=O)C2)c(Cl)c1 ZINC000843065374 595278653 /nfs/dbraw/zinc/27/86/53/595278653.db2.gz LJCNHNDMVDQORG-ZDUSSCGKSA-N -1 3 337.851 1.750 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2SCCS2)c1 ZINC000856162435 595915231 /nfs/dbraw/zinc/91/52/31/595915231.db2.gz CBDILFCZSAIUHT-UHFFFAOYSA-N -1 3 348.471 1.300 20 10 EDCDHM Cc1ccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c([O-])c1O ZINC000854332998 596039069 /nfs/dbraw/zinc/03/90/69/596039069.db2.gz LGPOHWUYMLYLSM-AWEZNQCLSA-N -1 3 334.416 1.733 20 10 EDCDHM CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000854374621 596055637 /nfs/dbraw/zinc/05/56/37/596055637.db2.gz WDRSQIWPPMQJTO-ZDUSSCGKSA-N -1 3 333.388 1.509 20 10 EDCDHM COc1ccc(N2CC[C@@H](NC(=O)NCc3ncccc3[O-])C2)cc1 ZINC000852451146 596168469 /nfs/dbraw/zinc/16/84/69/596168469.db2.gz FDJVALSIFDIYIR-CYBMUJFWSA-N -1 3 342.399 1.874 20 10 EDCDHM CCCN1C[C@H](C(=O)NCc2ccc3cccnc3c2[O-])CC1=O ZINC000862024941 596185416 /nfs/dbraw/zinc/18/54/16/596185416.db2.gz JYJGXLPXSSBKRV-CQSZACIVSA-N -1 3 327.384 1.815 20 10 EDCDHM CO[C@H]1CC[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000870714838 596328668 /nfs/dbraw/zinc/32/86/68/596328668.db2.gz ANASXUAEAZHGLC-JQWIXIFHSA-N -1 3 342.417 1.403 20 10 EDCDHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@@H](O)C1 ZINC000871181305 596490745 /nfs/dbraw/zinc/49/07/45/596490745.db2.gz PANOLDXOFCSCGL-MNOVXSKESA-N -1 3 342.417 1.554 20 10 EDCDHM CC[C@]1(C(=O)NCc2cc(Br)ccc2[O-])CCNC1=O ZINC000868307350 596781332 /nfs/dbraw/zinc/78/13/32/596781332.db2.gz YZUHGCYYQGMPTI-AWEZNQCLSA-N -1 3 341.205 1.687 20 10 EDCDHM COC(=O)CN(CCO[C@@H]1CCOC1)Cc1cc(Cl)ccc1[O-] ZINC000929974799 697003215 /nfs/dbraw/zinc/00/32/15/697003215.db2.gz AYLNPDMLWNDXEW-CQSZACIVSA-N -1 3 343.807 1.826 20 10 EDCDHM CCCOc1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)c([O-])c1 ZINC000372742567 250225492 /nfs/dbraw/zinc/22/54/92/250225492.db2.gz QBSFZOZJJVNIHZ-CQSZACIVSA-N -1 3 328.434 1.434 20 10 EDCDHM CN1CC[C@H]2OCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000284464646 290236679 /nfs/dbraw/zinc/23/66/79/290236679.db2.gz AREOSSMRBMIMDA-ZIAGYGMSSA-N -1 3 341.795 1.859 20 10 EDCDHM COCCO[C@@H]1C[C@@H](CO)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000278711749 443410004 /nfs/dbraw/zinc/41/00/04/443410004.db2.gz OMRGCCIBZKDHNM-TZMCWYRMSA-N -1 3 329.824 1.891 20 10 EDCDHM CNS(=O)(=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278805742 443445798 /nfs/dbraw/zinc/44/57/98/443445798.db2.gz ROXVBJRMNBWZQY-SSDOTTSWSA-N -1 3 327.233 1.899 20 10 EDCDHM C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271362595 443502384 /nfs/dbraw/zinc/50/23/84/443502384.db2.gz IYCFXROARGRNLM-NXEZZACHSA-N -1 3 328.390 1.013 20 10 EDCDHM O=C(C[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000275081975 443620780 /nfs/dbraw/zinc/62/07/80/443620780.db2.gz DZFBEVUIICGAGL-LLVKDONJSA-N -1 3 331.324 1.805 20 10 EDCDHM COCCOCCOCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000276271863 443678904 /nfs/dbraw/zinc/67/89/04/443678904.db2.gz QJANKFIZDPYHMA-UHFFFAOYSA-N -1 3 343.395 1.845 20 10 EDCDHM C[C@@H]1CN(CCCNC(=O)c2c(F)ccc(O)c2[O-])C[C@H](C)O1 ZINC000276574524 443752138 /nfs/dbraw/zinc/75/21/38/443752138.db2.gz LKRASISSXQXLIV-PHIMTYICSA-N -1 3 326.368 1.466 20 10 EDCDHM CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H](C)S1(=O)=O ZINC000288899604 444009294 /nfs/dbraw/zinc/00/92/94/444009294.db2.gz ZSMNMQCGTBRPDI-QWRGUYRKSA-N -1 3 327.402 1.444 20 10 EDCDHM CCNC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000293660893 444083552 /nfs/dbraw/zinc/08/35/52/444083552.db2.gz NUDZKNAOZOJGGD-LBPRGKRZSA-N -1 3 325.365 1.559 20 10 EDCDHM CC1(C)OCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000296238148 444214856 /nfs/dbraw/zinc/21/48/56/444214856.db2.gz OHMKDJKTILXGDC-LBPRGKRZSA-N -1 3 328.390 1.061 20 10 EDCDHM NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000289753868 444198792 /nfs/dbraw/zinc/19/87/92/444198792.db2.gz JHZINKHMYDUUSC-SFHVURJKSA-N -1 3 343.402 1.876 20 10 EDCDHM O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(O)c1[O-] ZINC000364666790 445943846 /nfs/dbraw/zinc/94/38/46/445943846.db2.gz RWFHUQIXJURXMH-CQSZACIVSA-N -1 3 344.342 1.768 20 10 EDCDHM O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000363998129 445890012 /nfs/dbraw/zinc/89/00/12/445890012.db2.gz VOEFCYAFMYRQHE-LBPRGKRZSA-N -1 3 341.367 1.984 20 10 EDCDHM O=C(Nc1cc(-c2cccnc2)nn1CCO)c1cccc(O)c1[O-] ZINC000365758700 446331959 /nfs/dbraw/zinc/33/19/59/446331959.db2.gz PAGCCKMJPRMWGU-UHFFFAOYSA-N -1 3 340.339 1.601 20 10 EDCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CN2CCN1CCC2 ZINC000377089569 446913376 /nfs/dbraw/zinc/91/33/76/446913376.db2.gz NOTROHQCXQEHEC-ZDUSSCGKSA-N -1 3 344.242 1.705 20 10 EDCDHM COc1cc(CNC(=O)c2cc([O-])cs2)ccc1OCC(N)=O ZINC000731871316 578681769 /nfs/dbraw/zinc/68/17/69/578681769.db2.gz BASIEKWIXGREPQ-UHFFFAOYSA-N -1 3 336.369 1.256 20 10 EDCDHM CNS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])ccc3ccncc32)C1 ZINC000733298589 578758450 /nfs/dbraw/zinc/75/84/50/578758450.db2.gz WXEXVUJPPLUILW-CYBMUJFWSA-N -1 3 335.429 1.454 20 10 EDCDHM COc1ccc(CN2CC[C@H](NC(=O)c3cc([O-])cs3)C2=O)cc1 ZINC000734557676 578823235 /nfs/dbraw/zinc/82/32/35/578823235.db2.gz IUKMKEIKLHXPDV-AWEZNQCLSA-N -1 3 346.408 1.993 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NOCc2cccnc2)c1 ZINC000747616303 579650742 /nfs/dbraw/zinc/65/07/42/579650742.db2.gz GZYVPCLPQJMRCE-UHFFFAOYSA-N -1 3 337.357 1.020 20 10 EDCDHM 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343.221 1.826 20 10 EDCDHM COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000769920051 580248530 /nfs/dbraw/zinc/24/85/30/580248530.db2.gz VUDYHNATUNTRIQ-LBPRGKRZSA-N -1 3 330.406 1.165 20 10 EDCDHM CCCN(C(=O)c1ccc(C)c(O)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000770468026 580261602 /nfs/dbraw/zinc/26/16/02/580261602.db2.gz DJWPFJBQTPCYES-NSHDSACASA-N -1 3 327.402 1.446 20 10 EDCDHM COc1c([O-])c(CNc2cnn(CC(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000775056244 580381863 /nfs/dbraw/zinc/38/18/63/580381863.db2.gz FPHDJOQMCACZNV-UHFFFAOYSA-N -1 3 349.347 1.206 20 10 EDCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000776270326 580413400 /nfs/dbraw/zinc/41/34/00/580413400.db2.gz GFHRIAQGNUWSKT-LLVKDONJSA-N -1 3 342.417 1.819 20 10 EDCDHM COc1cccc([O-])c1CN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000787289815 580691950 /nfs/dbraw/zinc/69/19/50/580691950.db2.gz YLGXDLUMHAVIPA-AWEZNQCLSA-N -1 3 333.432 1.979 20 10 EDCDHM Cc1ccc(C(=O)NCc2ncccc2S(C)(=O)=O)c([O-])c1O ZINC000787713876 580702850 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3 343.383 1.852 20 10 EDCDHM CC[C@@]1(CO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000275940584 443646902 /nfs/dbraw/zinc/64/69/02/443646902.db2.gz XMSAVIDORZOUNN-HNNXBMFYSA-N -1 3 342.417 1.141 20 10 EDCDHM O=C1NC(=O)[C@@]2(CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)N1 ZINC000294250688 444106657 /nfs/dbraw/zinc/10/66/57/444106657.db2.gz AJTVREGADVQNEB-AWEZNQCLSA-N -1 3 327.743 1.359 20 10 EDCDHM CO[C@@H]1COC[C@H]1n1cc(CN[C@@H](C)c2cc(F)ccc2[O-])nn1 ZINC000289738147 444196849 /nfs/dbraw/zinc/19/68/49/444196849.db2.gz KKJOHSOPVMMJRG-DRZCJDIDSA-N -1 3 336.367 1.560 20 10 EDCDHM Cc1cc(C(=O)NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)no1 ZINC000363936819 445886215 /nfs/dbraw/zinc/88/62/15/445886215.db2.gz KWFJAPOGZPJACU-UHFFFAOYSA-N -1 3 345.355 1.429 20 10 EDCDHM Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)c([O-])c1O ZINC000376629769 446615890 /nfs/dbraw/zinc/61/58/90/446615890.db2.gz XVAGVNVDXLMNKI-RYUDHWBXSA-N -1 3 346.362 1.543 20 10 EDCDHM CC(C)N1C(=O)N[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)C1=O ZINC000367635485 446569428 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CN(C)S(=O)(=O)CCN(Cc1ccco1)Cc1ccccc1[O-] ZINC000795953628 580942066 /nfs/dbraw/zinc/94/20/66/580942066.db2.gz UQGVEIHSRBZMDA-UHFFFAOYSA-N -1 3 338.429 1.879 20 10 EDCDHM CCOCCS(=O)(=O)NCc1cc(Br)ccc1[O-] ZINC000796191573 580947935 /nfs/dbraw/zinc/94/79/35/580947935.db2.gz LUHAOPNKJHWYSB-UHFFFAOYSA-N -1 3 338.223 1.611 20 10 EDCDHM Cn1cc([C@H](O)C(=O)NCc2cc(Br)ccc2[O-])cn1 ZINC000804738894 590756524 /nfs/dbraw/zinc/75/65/24/590756524.db2.gz IMWJAMGAFPEKKF-LBPRGKRZSA-N -1 3 340.177 1.238 20 10 EDCDHM O=C1NCC2(CCOCC2)[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC000895768915 591268764 /nfs/dbraw/zinc/26/87/64/591268764.db2.gz KUVZXLOAZFBSGR-ZDUSSCGKSA-N -1 3 328.771 1.570 20 10 EDCDHM O=C(c1cc2cc(O)c([O-])cc2s1)N1CCN2C(=O)NC[C@H]2C1 ZINC000896873819 591642172 /nfs/dbraw/zinc/64/21/72/591642172.db2.gz MTROSDGRJILVRW-VIFPVBQESA-N -1 3 333.369 1.162 20 10 EDCDHM O=C1NC[C@H](O)CC12CCN(Cc1cc(F)cc(F)c1[O-])CC2 ZINC000897045162 591720398 /nfs/dbraw/zinc/72/03/98/591720398.db2.gz GFAFKXNKPPPROM-GFCCVEGCSA-N -1 3 326.343 1.133 20 10 EDCDHM CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)cc1F ZINC000727486971 591728346 /nfs/dbraw/zinc/72/83/46/591728346.db2.gz XREAYMWCDIFOKS-UHFFFAOYSA-N -1 3 345.374 1.644 20 10 EDCDHM C[C@@H]1CCCCN1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000912149859 593066084 /nfs/dbraw/zinc/06/60/84/593066084.db2.gz ZVCOYVLHKKYZSN-SNVBAGLBSA-N -1 3 327.406 1.283 20 10 EDCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)NC(N)=O)c2)c([O-])c1O ZINC000802329462 593244767 /nfs/dbraw/zinc/24/47/67/593244767.db2.gz GWBBYVNVLDRKSW-UHFFFAOYSA-N -1 3 329.312 1.467 20 10 EDCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2CCOC[C@H]21 ZINC000839185936 593272343 /nfs/dbraw/zinc/27/23/43/593272343.db2.gz HQNIGAPTUJRCEY-TZMCWYRMSA-N -1 3 331.821 1.434 20 10 EDCDHM COc1cc(Br)cc(CN2CCC[C@](O)(CO)C2)c1[O-] ZINC000839160999 593273913 /nfs/dbraw/zinc/27/39/13/593273913.db2.gz YJZFTMYVASNCAH-CQSZACIVSA-N -1 3 346.221 1.483 20 10 EDCDHM CCn1ncnc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000804187344 593395260 /nfs/dbraw/zinc/39/52/60/593395260.db2.gz ADWOSBZWLXXUGX-UHFFFAOYSA-N -1 3 349.778 1.621 20 10 EDCDHM Cn1[nH]cnc1=NC(=O)NCc1cc(Br)ccc1[O-] ZINC000806363509 593440616 /nfs/dbraw/zinc/44/06/16/593440616.db2.gz CBVNBFORGYHGJI-UHFFFAOYSA-N -1 3 326.154 1.027 20 10 EDCDHM CS(=O)(=O)C[C@@H]1CCCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000814227329 593579458 /nfs/dbraw/zinc/57/94/58/593579458.db2.gz SLOCSBXGUBAEOL-IAQYHMDHSA-N -1 3 341.429 1.075 20 10 EDCDHM c1cc(N2CCOCC2)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000823756584 593851910 /nfs/dbraw/zinc/85/19/10/593851910.db2.gz CQOKQPOOAIOSDW-UHFFFAOYSA-N -1 3 337.387 1.710 20 10 EDCDHM c1cc(N2CCOCC2)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823756584 593851911 /nfs/dbraw/zinc/85/19/11/593851911.db2.gz CQOKQPOOAIOSDW-UHFFFAOYSA-N -1 3 337.387 1.710 20 10 EDCDHM CCOC(=O)C1([S@](C)=O)CCN(Cc2ccccc2[O-])CC1 ZINC000824608728 594047006 /nfs/dbraw/zinc/04/70/06/594047006.db2.gz ODFNKRYPPSMZRV-QFIPXVFZSA-N -1 3 325.430 1.668 20 10 EDCDHM Fc1ccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)nc1 ZINC000822771393 594098253 /nfs/dbraw/zinc/09/82/53/594098253.db2.gz GVYBGITVBSYKLK-UHFFFAOYSA-N -1 3 329.364 1.887 20 10 EDCDHM Fc1ccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)nc1 ZINC000822771393 594098254 /nfs/dbraw/zinc/09/82/54/594098254.db2.gz GVYBGITVBSYKLK-UHFFFAOYSA-N -1 3 329.364 1.887 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826401170 594461063 /nfs/dbraw/zinc/46/10/63/594461063.db2.gz RKABMNLJJGTVBN-KXFIGUGUSA-N -1 3 349.350 1.880 20 10 EDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826401170 594461066 /nfs/dbraw/zinc/46/10/66/594461066.db2.gz RKABMNLJJGTVBN-KXFIGUGUSA-N -1 3 349.350 1.880 20 10 EDCDHM COCCNC(=O)C1(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000840823190 594818391 /nfs/dbraw/zinc/81/83/91/594818391.db2.gz VRFLGZGUFMAZOS-LLVKDONJSA-N -1 3 336.388 1.125 20 10 EDCDHM COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000833733932 594918363 /nfs/dbraw/zinc/91/83/63/594918363.db2.gz 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ZINC000855775942 595819184 /nfs/dbraw/zinc/81/91/84/595819184.db2.gz ONBNEBQQQJFWIR-MDZLAQPJSA-N -1 3 338.429 1.930 20 10 EDCDHM CO[C@@H](CNC(=O)NCc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000852436281 596161020 /nfs/dbraw/zinc/16/10/20/596161020.db2.gz HAERTPUAWXAKHD-HZMBPMFUSA-N -1 3 328.796 1.896 20 10 EDCDHM O=C(NCc1ccc2cccnc2c1[O-])[C@H]1CCCS(=O)(=O)C1 ZINC000862026352 596185887 /nfs/dbraw/zinc/18/58/87/596185887.db2.gz LPHXUHMDEHEHIC-ZDUSSCGKSA-N -1 3 334.397 1.381 20 10 EDCDHM COC(=O)[C@]1(OC)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862475459 596334198 /nfs/dbraw/zinc/33/41/98/596334198.db2.gz LKQLXBYUMRHGAS-HNNXBMFYSA-N -1 3 340.332 1.073 20 10 EDCDHM COC(=O)[C@@]1(OC)CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000862475705 596334865 /nfs/dbraw/zinc/33/48/65/596334865.db2.gz UQOWFSOXWRHYQU-CQSZACIVSA-N -1 3 344.205 1.919 20 10 EDCDHM COc1c([O-])c(CN2C[C@](C)(CO)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000862519204 596339306 /nfs/dbraw/zinc/33/93/06/596339306.db2.gz WCNCNHMJIJETPF-IYBDPMFKSA-N -1 3 340.376 1.122 20 10 EDCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000863001294 596484405 /nfs/dbraw/zinc/48/44/05/596484405.db2.gz FXIHVIDLANEYJT-LFNDISMMSA-N -1 3 342.417 1.305 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)CO)CC2)c1[O-] ZINC000878832516 597727534 /nfs/dbraw/zinc/72/75/34/597727534.db2.gz NZSDOBFNQCSARU-UHFFFAOYSA-N -1 3 346.349 1.479 20 10 EDCDHM COC(=O)[C@]1(C)C[C@@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000879155332 597834473 /nfs/dbraw/zinc/83/44/73/597834473.db2.gz ZNMONXSRPMXGLJ-DYVFJYSZSA-N -1 3 339.363 1.886 20 10 EDCDHM O=C(NCC[C@H]1CCCS1(=O)=O)NCc1c([O-])cccc1F ZINC000924011437 697048484 /nfs/dbraw/zinc/04/84/84/697048484.db2.gz GRMIRPNYTPLLNZ-SNVBAGLBSA-N -1 3 330.381 1.298 20 10 EDCDHM CCOC(=O)C1(S(=O)(=O)NCc2c([O-])cccc2F)CCC1 ZINC000921451496 697618915 /nfs/dbraw/zinc/61/89/15/697618915.db2.gz QQFHCUUVGMBKGV-UHFFFAOYSA-N -1 3 331.365 1.437 20 10 EDCDHM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCc3c([O-])cccc3F)[C@H]2C1 ZINC000922506631 711633685 /nfs/dbraw/zinc/63/36/85/711633685.db2.gz LYSNHWCXUVLZME-NOLJZWGESA-N -1 3 349.406 1.978 20 10 EDCDHM Cc1ccc(C(=O)N2CCCN(CC(=O)NC(C)C)CC2)c([O-])c1O ZINC000359997286 201123537 /nfs/dbraw/zinc/12/35/37/201123537.db2.gz IZJIJDBQZLHCAB-UHFFFAOYSA-N -1 3 349.431 1.079 20 10 EDCDHM Cc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1O ZINC000177685467 442370435 /nfs/dbraw/zinc/37/04/35/442370435.db2.gz ZIECGNBJABUDCA-VIFPVBQESA-N -1 3 332.278 1.299 20 10 EDCDHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c([O-])c1O ZINC000179489904 442464439 /nfs/dbraw/zinc/46/44/39/442464439.db2.gz GVTOORYSKWZIGB-AWEZNQCLSA-N -1 3 326.352 1.942 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)C[C@H](C)C2)c1[O-] ZINC000192118751 442597257 /nfs/dbraw/zinc/59/72/57/442597257.db2.gz JBGUEJDLPXRVPM-SNVBAGLBSA-N -1 3 329.393 1.600 20 10 EDCDHM CN1CCN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cn2)CC1 ZINC000186839952 442619625 /nfs/dbraw/zinc/61/96/25/442619625.db2.gz IFRYSIAXTKHHCK-UHFFFAOYSA-N -1 3 342.399 1.175 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2CCSCC2)c1 ZINC000265086076 443527850 /nfs/dbraw/zinc/52/78/50/443527850.db2.gz RUJSTRTVOZCEAD-UHFFFAOYSA-N -1 3 344.458 1.637 20 10 EDCDHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273464458 443575766 /nfs/dbraw/zinc/57/57/66/443575766.db2.gz IRWWEKYCNPBSRJ-MNOVXSKESA-N -1 3 329.418 1.653 20 10 EDCDHM CCC[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1CCOC ZINC000276525623 443734482 /nfs/dbraw/zinc/73/44/82/443734482.db2.gz GSTRCKPJUKFCME-LBPRGKRZSA-N -1 3 340.395 1.810 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)C2CCCC2)c1 ZINC000291106320 443749425 /nfs/dbraw/zinc/74/94/25/443749425.db2.gz BMCCTTNOKCIRSB-CYBMUJFWSA-N -1 3 342.417 1.045 20 10 EDCDHM COc1cc(Cl)cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1[O-] ZINC000292739649 443831554 /nfs/dbraw/zinc/83/15/54/443831554.db2.gz HFHYMIJBVVWZNP-SNVBAGLBSA-N -1 3 333.837 1.921 20 10 EDCDHM COCCn1nnc2c1CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000292755261 443835829 /nfs/dbraw/zinc/83/58/29/443835829.db2.gz BLAJRGBHRKPBNY-UHFFFAOYSA-N -1 3 348.378 1.530 20 10 EDCDHM C[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000288470197 443891231 /nfs/dbraw/zinc/89/12/31/443891231.db2.gz FPBVGLQPOJHIEH-OIBJUYFYSA-N -1 3 334.781 1.477 20 10 EDCDHM CO[C@@H]1COC[C@H]1n1cc(CNCc2cc(Cl)ccc2[O-])nn1 ZINC000368073902 446625612 /nfs/dbraw/zinc/62/56/12/446625612.db2.gz TVNQKURTQQYOEZ-UKRRQHHQSA-N -1 3 338.795 1.513 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000528777621 448671872 /nfs/dbraw/zinc/67/18/72/448671872.db2.gz OWXBINRJPNWILD-KGLIPLIRSA-N -1 3 341.404 1.885 20 10 EDCDHM Cn1ncc2c1nc(COC(=O)C=Cc1ccc(O)c(O)c1)[n-]c2=O ZINC000759598798 580010060 /nfs/dbraw/zinc/01/00/60/580010060.db2.gz YPGPOSLGNPBNSR-HYXAFXHYSA-N -1 3 342.311 1.237 20 10 EDCDHM O=C(c1cc([O-])cs1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000732287823 578703183 /nfs/dbraw/zinc/70/31/83/578703183.db2.gz AONMMTGQCNXKJA-OAHLLOKOSA-N -1 3 332.425 1.945 20 10 EDCDHM CCS(=O)(=O)CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000735670491 578909168 /nfs/dbraw/zinc/90/91/68/578909168.db2.gz IPAXRVJZQJSYJI-UHFFFAOYSA-N -1 3 349.836 1.455 20 10 EDCDHM CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750832789 579783145 /nfs/dbraw/zinc/78/31/45/579783145.db2.gz UIBGGXLHYHLIMU-CYBMUJFWSA-N -1 3 344.408 1.248 20 10 EDCDHM COC(=O)c1cn(C2CN(Cc3c([O-])ccc4ccncc43)C2)nn1 ZINC000758967541 579995441 /nfs/dbraw/zinc/99/54/41/579995441.db2.gz AXJASOSEKJPOII-UHFFFAOYSA-N -1 3 339.355 1.375 20 10 EDCDHM COCCN(CCC(=O)OC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769425521 580236700 /nfs/dbraw/zinc/23/67/00/580236700.db2.gz QIIHNCAFPTXRRV-UHFFFAOYSA-N -1 3 346.767 1.965 20 10 EDCDHM Cc1ccc(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c([O-])c1O ZINC000774319975 580359580 /nfs/dbraw/zinc/35/95/80/580359580.db2.gz JLAPGELCVPNQJM-UHFFFAOYSA-N -1 3 335.404 1.672 20 10 EDCDHM COc1c([O-])c(CN2CCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000774875141 580376180 /nfs/dbraw/zinc/37/61/80/580376180.db2.gz IRBUKAOAKDCTNV-UHFFFAOYSA-N -1 3 339.392 1.198 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1ccncn1 ZINC000779051283 580478536 /nfs/dbraw/zinc/47/85/36/580478536.db2.gz UVGSYJXTWHMWOE-UHFFFAOYSA-N -1 3 335.747 1.651 20 10 EDCDHM COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000779170609 580480559 /nfs/dbraw/zinc/48/05/59/580480559.db2.gz DCBMKRQLEGNUEW-UHFFFAOYSA-N -1 3 336.388 1.116 20 10 EDCDHM CC[C@@H](CO)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000779826388 580498786 /nfs/dbraw/zinc/49/87/86/580498786.db2.gz FQTCOKWKJMPITO-JTQLQIEISA-N -1 3 329.780 1.566 20 10 EDCDHM Cc1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)c([O-])c1O ZINC000780862111 580535346 /nfs/dbraw/zinc/53/53/46/580535346.db2.gz NOKBHHDSPCLKAX-UHFFFAOYSA-N -1 3 333.388 1.380 20 10 EDCDHM CS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790860778 580780148 /nfs/dbraw/zinc/78/01/48/580780148.db2.gz DLUVMWPLLHNTFQ-UHFFFAOYSA-N -1 3 335.381 1.572 20 10 EDCDHM CN(C[C@H](O)COCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790904382 580781065 /nfs/dbraw/zinc/78/10/65/580781065.db2.gz IMLUZSPDAVYWPG-AWEZNQCLSA-N -1 3 331.368 1.748 20 10 EDCDHM O=C(CO)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000793592419 580848366 /nfs/dbraw/zinc/84/83/66/580848366.db2.gz LXWFABWYYIMPFX-UHFFFAOYSA-N -1 3 326.396 1.696 20 10 EDCDHM CS(=O)(=O)N1CCCC[C@@H]1CNCc1c([O-])cccc1Cl ZINC000796512350 580955423 /nfs/dbraw/zinc/95/54/23/580955423.db2.gz XYZDYTHSCQQFNZ-LLVKDONJSA-N -1 3 332.853 1.949 20 10 EDCDHM Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)c1cc([O-])cs1 ZINC000798122962 580987694 /nfs/dbraw/zinc/98/76/94/580987694.db2.gz UISOUCOXNWDLEC-UHFFFAOYSA-N -1 3 349.368 1.588 20 10 EDCDHM Cc1ccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c([O-])c1O ZINC000798999680 581013506 /nfs/dbraw/zinc/01/35/06/581013506.db2.gz BGQIYBUXSMSJPI-RKNYENMMSA-N -1 3 349.412 1.086 20 10 EDCDHM Cc1ccc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c([O-])c1O ZINC000800623658 581055762 /nfs/dbraw/zinc/05/57/62/581055762.db2.gz UKEBQODAANNIHY-LLVKDONJSA-N -1 3 327.402 1.446 20 10 EDCDHM CCN1C(=O)[C@H]2CN(Cc3cc(F)cc(F)c3[O-])CCN2C1=O ZINC000894089763 591190083 /nfs/dbraw/zinc/19/00/83/591190083.db2.gz XIZUOXYOJIZJCN-GFCCVEGCSA-N -1 3 325.315 1.139 20 10 EDCDHM O=C(c1cc2cc(O)c([O-])cc2s1)N1CC[C@H](N2CCOC2=O)C1 ZINC000898673881 591470949 /nfs/dbraw/zinc/47/09/49/591470949.db2.gz YWNAHSXIJLVQLX-JTQLQIEISA-N -1 3 348.380 1.979 20 10 EDCDHM COC(=O)[C@](C)(CO)NCc1cc(Br)cc(C)c1[O-] ZINC000894975110 591504685 /nfs/dbraw/zinc/50/46/85/591504685.db2.gz JPERPSDBDRUIOL-ZDUSSCGKSA-N -1 3 332.194 1.477 20 10 EDCDHM [O-]c1cc2c(cc1CN1CCOC[C@@H]1C[C@@H]1CCCO1)[C@H](O)CO2 ZINC000902609844 592025267 /nfs/dbraw/zinc/02/52/67/592025267.db2.gz QFGOWOVJULEPET-GRDNDAEWSA-N -1 3 335.400 1.588 20 10 EDCDHM C[C@@H](NCCS(=O)(=O)N1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000903291206 592154434 /nfs/dbraw/zinc/15/44/34/592154434.db2.gz RGTNIMABVAQUOM-SNVBAGLBSA-N -1 3 334.388 1.747 20 10 EDCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1cccc(S(N)(=O)=O)c1 ZINC000731865190 592927876 /nfs/dbraw/zinc/92/78/76/592927876.db2.gz HWMYORKUCMDDLF-QMMMGPOBSA-N -1 3 326.399 1.592 20 10 EDCDHM CN1CCCc2cc(CNC(=O)CN3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC000911302080 592984625 /nfs/dbraw/zinc/98/46/25/592984625.db2.gz VAGZYQYWBLRUNB-INIZCTEOSA-N -1 3 345.443 1.482 20 10 EDCDHM C[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CS1 ZINC000839832192 593196369 /nfs/dbraw/zinc/19/63/69/593196369.db2.gz VURRLPMXDQYDOS-SCZZXKLOSA-N -1 3 330.431 1.388 20 10 EDCDHM C[C@@H](NC(=O)NCc1cc(Br)ccc1[O-])C(=O)N(C)C ZINC000804964898 593322019 /nfs/dbraw/zinc/32/20/19/593322019.db2.gz ZHCLLIIHEWTMPV-MRVPVSSYSA-N -1 3 344.209 1.431 20 10 EDCDHM CO[C@H](C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000769908872 593446276 /nfs/dbraw/zinc/44/62/76/593446276.db2.gz GEOUUGSXDFOLFC-LLVKDONJSA-N -1 3 344.433 1.649 20 10 EDCDHM CC(=O)NCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])[C@H](C)C(=O)[O-] ZINC000819770583 593768037 /nfs/dbraw/zinc/76/80/37/593768037.db2.gz YVOQEUPRERLJSI-SNVBAGLBSA-N -1 3 328.796 1.765 20 10 EDCDHM CC(=O)NCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])[C@H](C)C(=O)[O-] ZINC000819770583 593768038 /nfs/dbraw/zinc/76/80/38/593768038.db2.gz YVOQEUPRERLJSI-SNVBAGLBSA-N -1 3 328.796 1.765 20 10 EDCDHM COC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000827929597 594305427 /nfs/dbraw/zinc/30/54/27/594305427.db2.gz OIHOCXKMXVSARP-UHFFFAOYSA-N -1 3 339.348 1.629 20 10 EDCDHM Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826268874 594404784 /nfs/dbraw/zinc/40/47/84/594404784.db2.gz QRFIGUXGFXUZPP-UHFFFAOYSA-N -1 3 325.376 1.499 20 10 EDCDHM Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826268874 594404787 /nfs/dbraw/zinc/40/47/87/594404787.db2.gz QRFIGUXGFXUZPP-UHFFFAOYSA-N -1 3 325.376 1.499 20 10 EDCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840952531 594832215 /nfs/dbraw/zinc/83/22/15/594832215.db2.gz DFFVMJBCMJJRIL-DZGCQCFKSA-N -1 3 345.848 1.742 20 10 EDCDHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000841460989 594904173 /nfs/dbraw/zinc/90/41/73/594904173.db2.gz MGSFPARLDIQLEL-OUAUKWLOSA-N -1 3 326.418 1.880 20 10 EDCDHM Nc1ccc(CCNC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000841881933 594972993 /nfs/dbraw/zinc/97/29/93/594972993.db2.gz FGYZLMVDTRYAAE-UHFFFAOYSA-N -1 3 328.298 1.448 20 10 EDCDHM Nc1ccc(CCNC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000841881933 594972995 /nfs/dbraw/zinc/97/29/95/594972995.db2.gz FGYZLMVDTRYAAE-UHFFFAOYSA-N -1 3 328.298 1.448 20 10 EDCDHM Nc1ccc(CCNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000841881933 594972997 /nfs/dbraw/zinc/97/29/97/594972997.db2.gz FGYZLMVDTRYAAE-UHFFFAOYSA-N -1 3 328.298 1.448 20 10 EDCDHM CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cccc(O)c1[O-] ZINC000846510583 595259588 /nfs/dbraw/zinc/25/95/88/595259588.db2.gz LEYGNUSZCSWTJL-LBPRGKRZSA-N -1 3 337.372 1.719 20 10 EDCDHM COc1ccc(N(C)CCN(C)C(=O)Cc2cncc([O-])c2)cc1 ZINC000848387423 595372141 /nfs/dbraw/zinc/37/21/41/595372141.db2.gz GHWXBPBSZXWRJP-UHFFFAOYSA-N -1 3 329.400 1.933 20 10 EDCDHM CCS(=O)(=O)C[C@H](C)NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000844977474 595422651 /nfs/dbraw/zinc/42/26/51/595422651.db2.gz UKXVRGQHUFNFKD-VIFPVBQESA-N -1 3 334.825 1.668 20 10 EDCDHM CC(C)(C)OCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855706013 595805760 /nfs/dbraw/zinc/80/57/60/595805760.db2.gz ZBRHFWKQKMOTGT-UHFFFAOYSA-N -1 3 344.433 1.699 20 10 EDCDHM CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc2cccnc2c1[O-] ZINC000862026635 596186013 /nfs/dbraw/zinc/18/60/13/596186013.db2.gz VTVRKNYUIASRAT-DZGCQCFKSA-N -1 3 330.384 1.998 20 10 EDCDHM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2C ZINC000866674212 596289193 /nfs/dbraw/zinc/28/91/93/596289193.db2.gz VMGFRMQLNMURKV-NRFANRHFSA-N -1 3 345.490 1.521 20 10 EDCDHM COc1cc(Cl)cc(CN2CCN(c3nccnn3)CC2)c1[O-] ZINC000862442602 596330737 /nfs/dbraw/zinc/33/07/37/596330737.db2.gz JEYYUPRCLGPTBB-UHFFFAOYSA-N -1 3 335.795 1.561 20 10 EDCDHM Cc1cc(Br)cc(CN2CC(NS(C)(=O)=O)C2)c1[O-] ZINC000862486308 596335596 /nfs/dbraw/zinc/33/55/96/596335596.db2.gz XHGBCFHWCHYRAW-UHFFFAOYSA-N -1 3 349.250 1.197 20 10 EDCDHM COC(=O)c1cnc(SCc2nc3c(c(=O)[n-]2)COCC3)s1 ZINC000865369299 596553845 /nfs/dbraw/zinc/55/38/45/596553845.db2.gz QLOHMPYLKUYNEG-UHFFFAOYSA-N -1 3 339.398 1.790 20 10 EDCDHM Cn1nc2c(c1S(=O)(=O)[N-]c1ccc([O-])cc1F)CCCC2 ZINC000872361649 596895506 /nfs/dbraw/zinc/89/55/06/596895506.db2.gz KZKSGGKAHPLWQJ-UHFFFAOYSA-N -1 3 325.365 1.944 20 10 EDCDHM Cn1nc2c(c1S(=O)(=O)[N-]c1ccc(O)cc1F)CCCC2 ZINC000872361649 596895508 /nfs/dbraw/zinc/89/55/08/596895508.db2.gz KZKSGGKAHPLWQJ-UHFFFAOYSA-N -1 3 325.365 1.944 20 10 EDCDHM O=S1(=O)CCC[C@H]1CNCc1cccc(Br)c1[O-] ZINC000126729061 597560107 /nfs/dbraw/zinc/56/01/07/597560107.db2.gz VTCDTIFAHGEPLN-JTQLQIEISA-N -1 3 334.235 1.822 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]3OCCNC(=O)[C@@H]32)c1[O-] ZINC000879720750 597701533 /nfs/dbraw/zinc/70/15/33/597701533.db2.gz VBNKAVFINABPOG-HUUCEWRRSA-N -1 3 336.363 1.213 20 10 EDCDHM COc1ncc(S(=O)(=O)[N-]Cc2cccc(OC)c2O)s1 ZINC000914153337 695161904 /nfs/dbraw/zinc/16/19/04/695161904.db2.gz YMCGECBKUFSMAL-UHFFFAOYSA-N -1 3 330.387 1.344 20 10 EDCDHM Cc1cc(Br)cc(CN2C[C@H](F)C[C@H]2C(N)=O)c1[O-] ZINC000284583571 249603407 /nfs/dbraw/zinc/60/34/07/249603407.db2.gz ILKCIMHVVYDONY-MNOVXSKESA-N -1 3 331.185 1.861 20 10 EDCDHM CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H]1N1CCOCC1 ZINC000367980501 250198828 /nfs/dbraw/zinc/19/88/28/250198828.db2.gz FHDROXHWFRFZIG-DZGCQCFKSA-N -1 3 334.416 1.589 20 10 EDCDHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c([O-])c1O ZINC000378572676 447443921 /nfs/dbraw/zinc/44/39/21/447443921.db2.gz PVWJBFISLOGMPE-CABCVRRESA-N -1 3 334.416 1.779 20 10 EDCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H](C)O)CC2)c1[O-] ZINC000189362609 442929085 /nfs/dbraw/zinc/92/90/85/442929085.db2.gz KBCPCHJRVXAVFH-LLVKDONJSA-N -1 3 326.824 1.747 20 10 EDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1COCCN1 ZINC000236917911 443151610 /nfs/dbraw/zinc/15/16/10/443151610.db2.gz GIMSRMHRPSQNTD-LBPRGKRZSA-N -1 3 343.221 1.492 20 10 EDCDHM O=C1N[C@H](c2cc(Br)ccc2[O-])N2CCSC[C@H]12 ZINC000270829289 443482310 /nfs/dbraw/zinc/48/23/10/443482310.db2.gz UATGSNYIFAGMOC-KOLCDFICSA-N -1 3 329.219 1.701 20 10 EDCDHM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271420290 443503119 /nfs/dbraw/zinc/50/31/19/443503119.db2.gz OUMQUKIONYWYLK-JQWIXIFHSA-N -1 3 342.417 1.139 20 10 EDCDHM COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000276754145 443814142 /nfs/dbraw/zinc/81/41/42/443814142.db2.gz LRRHQZVGBIJOEP-LBPRGKRZSA-N -1 3 347.820 1.126 20 10 EDCDHM COc1cc(Cl)cc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000292725315 443827850 /nfs/dbraw/zinc/82/78/50/443827850.db2.gz FRDCPCHEQPAVGH-GFCCVEGCSA-N -1 3 348.852 1.520 20 10 EDCDHM CCCOc1ccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000292791570 443845101 /nfs/dbraw/zinc/84/51/01/443845101.db2.gz MMNYPEHNDKERNM-CQSZACIVSA-N -1 3 342.461 1.647 20 10 EDCDHM O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(O)c1[O-] ZINC000288365382 443856946 /nfs/dbraw/zinc/85/69/46/443856946.db2.gz JNWFUSXBMTUTDQ-GFCCVEGCSA-N -1 3 333.388 1.508 20 10 EDCDHM CCS(=O)(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000289415930 444136723 /nfs/dbraw/zinc/13/67/23/444136723.db2.gz IMDAOQQZFQOSIT-UHFFFAOYSA-N -1 3 332.853 1.949 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1c[nH]c(C)n1 ZINC000294883717 444154136 /nfs/dbraw/zinc/15/41/36/444154136.db2.gz FLTSFEXGOQQZEB-UHFFFAOYSA-N -1 3 337.763 1.893 20 10 EDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@H](O)C(C)C ZINC000294973108 444162440 /nfs/dbraw/zinc/16/24/40/444162440.db2.gz OIMUFTIQSHEMOD-AWEZNQCLSA-N -1 3 343.807 1.954 20 10 EDCDHM O=C(NC1CN(Cc2cc(Br)ccc2[O-])C1)C1CC1 ZINC000297503321 444294409 /nfs/dbraw/zinc/29/44/09/444294409.db2.gz WHDBHKFZCSHYJP-UHFFFAOYSA-N -1 3 325.206 1.865 20 10 EDCDHM O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(O)c1[O-] ZINC000376445018 446502495 /nfs/dbraw/zinc/50/24/95/446502495.db2.gz YYKCOAWWTSANDM-NSHDSACASA-N -1 3 327.340 1.137 20 10 EDCDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000371539510 446920829 /nfs/dbraw/zinc/92/08/29/446920829.db2.gz PNNIKXFFLMXNNO-ZFWWWQNUSA-N -1 3 339.363 1.886 20 10 EDCDHM COC(=O)[C@H]1CN(C(=O)/C=C\c2cncc([O-])c2)c2ccccc2O1 ZINC000492521746 448231886 /nfs/dbraw/zinc/23/18/86/448231886.db2.gz RBPINBAYEJCQPY-MWWKQMNYSA-N -1 3 340.335 1.768 20 10 EDCDHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000129961636 526723352 /nfs/dbraw/zinc/72/33/52/526723352.db2.gz VYLWTZDUKZFAAT-AWEZNQCLSA-N -1 3 339.823 1.262 20 10 EDCDHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000267591299 536157660 /nfs/dbraw/zinc/15/76/60/536157660.db2.gz MYPRTWKNCZDHSC-ZDUSSCGKSA-N -1 3 349.431 1.079 20 10 EDCDHM NC(=O)c1ccc(CN2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000732270857 578701076 /nfs/dbraw/zinc/70/10/76/578701076.db2.gz VTQPLDFPWGUORW-UHFFFAOYSA-N -1 3 345.424 1.511 20 10 EDCDHM Cn1cc(C(=O)NCC2CCN(C(=O)c3cc([O-])cs3)CC2)cn1 ZINC000732283665 578702775 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/nfs/dbraw/zinc/03/50/31/580035031.db2.gz MFUSTQPIFULOIM-CQSZACIVSA-N -1 3 344.367 1.705 20 10 EDCDHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1ccccc1O ZINC000748354943 579681637 /nfs/dbraw/zinc/68/16/37/579681637.db2.gz QBBJVTVPGOAFOQ-UHFFFAOYSA-N -1 3 340.426 1.439 20 10 EDCDHM C[C@]1(c2ccc(C(=O)NCc3ccccc3O)cc2)NC(=O)[N-]C1=O ZINC000751060764 579793205 /nfs/dbraw/zinc/79/32/05/579793205.db2.gz QAWXJXZKBZXPIF-GOSISDBHSA-N -1 3 339.351 1.377 20 10 EDCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000762264340 580071050 /nfs/dbraw/zinc/07/10/50/580071050.db2.gz TYZCRTUXHUTZCY-UHFFFAOYSA-N -1 3 330.340 1.734 20 10 EDCDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1cc(F)ccc1[O-] ZINC000768536364 580215641 /nfs/dbraw/zinc/21/56/41/580215641.db2.gz VWGFEHKGEMGSRG-UHFFFAOYSA-N -1 3 328.384 1.850 20 10 EDCDHM CCOc1ccc(CN(C)CCN2CCCS2(=O)=O)c([O-])c1 ZINC000769559766 580240062 /nfs/dbraw/zinc/24/00/62/580240062.db2.gz YDFOEIHZUQKOAH-UHFFFAOYSA-N -1 3 328.434 1.258 20 10 EDCDHM Cc1ccc(C(=O)NCCC(=O)NCc2cccnc2)c([O-])c1O ZINC000770487188 580261996 /nfs/dbraw/zinc/26/19/96/580261996.db2.gz XYGTZZLYHFWKQI-UHFFFAOYSA-N -1 3 329.356 1.238 20 10 EDCDHM COc1c([O-])c(CNCc2cccc(C(N)=O)c2)ccc1[N+](=O)[O-] ZINC000774951194 580378741 /nfs/dbraw/zinc/37/87/41/580378741.db2.gz PTBBPBBEPOCNPY-UHFFFAOYSA-N -1 3 331.328 1.698 20 10 EDCDHM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000775286955 580387377 /nfs/dbraw/zinc/38/73/77/580387377.db2.gz RZMSSUMANYZPPN-GHMZBOCLSA-N -1 3 342.417 1.813 20 10 EDCDHM Cc1ccc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c([O-])c1O ZINC000780996577 580539829 /nfs/dbraw/zinc/53/98/29/580539829.db2.gz YYEIHKMUJGKHBV-ZFWWWQNUSA-N -1 3 331.368 1.621 20 10 EDCDHM COC(=O)c1cn(CCNCc2c([O-])ccc(Cl)c2F)nn1 ZINC000790613588 580773855 /nfs/dbraw/zinc/77/38/55/580773855.db2.gz LTVHETLFCJBPAD-UHFFFAOYSA-N -1 3 328.731 1.353 20 10 EDCDHM CNS(=O)(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000798183782 580990006 /nfs/dbraw/zinc/99/00/06/580990006.db2.gz STRNMLAZEKGMFI-UHFFFAOYSA-N -1 3 333.841 1.064 20 10 EDCDHM COC(=O)CN(CCC(=O)N(C)OC)Cc1cc(Cl)ccc1[O-] ZINC000799136477 581018141 /nfs/dbraw/zinc/01/81/41/581018141.db2.gz LULDUSAVLMXKDH-UHFFFAOYSA-N -1 3 344.795 1.431 20 10 EDCDHM O=C(NCc1cc(Br)ccc1[O-])C(=O)NCC(F)F ZINC000804739594 590757378 /nfs/dbraw/zinc/75/73/78/590757378.db2.gz KUTJEHOQVCSVRY-UHFFFAOYSA-N -1 3 337.120 1.152 20 10 EDCDHM COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894581137 591352023 /nfs/dbraw/zinc/35/20/23/591352023.db2.gz JPZQUYZWTRUATJ-SMDDNHRTSA-N -1 3 331.359 1.516 20 10 EDCDHM NC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2[O-])C1 ZINC000897747018 591661691 /nfs/dbraw/zinc/66/16/91/591661691.db2.gz BEAYQNQUOWUOOD-BDAKNGLRSA-N -1 3 341.205 1.673 20 10 EDCDHM O=S1(=O)CCN(Cc2cc3c(cc2[O-])OCO3)CCC12CCC2 ZINC000840180767 593343534 /nfs/dbraw/zinc/34/35/34/593343534.db2.gz KECBXENCDYNIST-UHFFFAOYSA-N -1 3 339.413 1.664 20 10 EDCDHM O=C(C[C@@H]1CCCC(=O)N1)NCc1cc(Br)ccc1[O-] ZINC000811523903 593472491 /nfs/dbraw/zinc/47/24/91/593472491.db2.gz RDURENOCKDKEGK-NSHDSACASA-N -1 3 341.205 1.830 20 10 EDCDHM Cn1ncc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000815126588 593616808 /nfs/dbraw/zinc/61/68/08/593616808.db2.gz OHBCMZBNUDMRLT-AWEZNQCLSA-N -1 3 335.839 1.928 20 10 EDCDHM Cc1cc([O-])c(CN(CCO)CCN2CCOCC2)cc1Cl ZINC000824600784 594045822 /nfs/dbraw/zinc/04/58/22/594045822.db2.gz CISCRHGGPWEOBP-UHFFFAOYSA-N -1 3 328.840 1.481 20 10 EDCDHM O=C(c1cccc(O)c1[O-])N1CCN(CCc2ccncc2)CC1 ZINC000825099983 594129963 /nfs/dbraw/zinc/12/99/63/594129963.db2.gz OZBAPRJEXPGHNZ-UHFFFAOYSA-N -1 3 327.384 1.493 20 10 EDCDHM O=C(c1c(F)ccc(O)c1[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000825432979 594184091 /nfs/dbraw/zinc/18/40/91/594184091.db2.gz VTAKWQHBCMQBQA-GFCCVEGCSA-N -1 3 338.379 1.564 20 10 EDCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825435222 594184488 /nfs/dbraw/zinc/18/44/88/594184488.db2.gz QFFVQOLOTUTSSA-UHFFFAOYSA-N -1 3 339.403 1.923 20 10 EDCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825435222 594184489 /nfs/dbraw/zinc/18/44/89/594184489.db2.gz QFFVQOLOTUTSSA-UHFFFAOYSA-N -1 3 339.403 1.923 20 10 EDCDHM COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826210070 594380009 /nfs/dbraw/zinc/38/00/09/594380009.db2.gz COFGAMACUIJWKK-QMMMGPOBSA-N -1 3 328.332 1.400 20 10 EDCDHM COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826210070 594380010 /nfs/dbraw/zinc/38/00/10/594380010.db2.gz COFGAMACUIJWKK-QMMMGPOBSA-N -1 3 328.332 1.400 20 10 EDCDHM O=C([O-])C[N@H+](CCN1CCOCC1)Cc1c([O-])ccc2ccccc21 ZINC000833248146 594813434 /nfs/dbraw/zinc/81/34/34/594813434.db2.gz MCIRCMZOOVVZSZ-UHFFFAOYSA-N -1 3 344.411 1.764 20 10 EDCDHM O=C([O-])C[N@@H+](CCN1CCOCC1)Cc1c([O-])ccc2ccccc21 ZINC000833248146 594813436 /nfs/dbraw/zinc/81/34/36/594813436.db2.gz MCIRCMZOOVVZSZ-UHFFFAOYSA-N -1 3 344.411 1.764 20 10 EDCDHM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cc(OC)ccc1O)C(=O)[O-] ZINC000833636878 594894322 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CN(CC(=O)NCc1cc(Cl)ccc1[O-])c1ncnc2nc[nH]c21 ZINC000857547457 595547404 /nfs/dbraw/zinc/54/74/04/595547404.db2.gz FHQSTODDXHCJND-UHFFFAOYSA-N -1 3 346.778 1.465 20 10 EDCDHM COc1ccc(N2CC[C@@H](NC(=O)c3cccc4nn[n-]c43)C2)cc1 ZINC000855228271 595635850 /nfs/dbraw/zinc/63/58/50/595635850.db2.gz YNPNDOKBFPOJKT-GFCCVEGCSA-N -1 3 337.383 1.975 20 10 EDCDHM COc1ccc(N2CC[C@@H](NC(=O)c3cccc4[n-]nnc43)C2)cc1 ZINC000855228271 595635852 /nfs/dbraw/zinc/63/58/52/595635852.db2.gz YNPNDOKBFPOJKT-GFCCVEGCSA-N -1 3 337.383 1.975 20 10 EDCDHM COc1ccc(N2CC[C@@H](NC(=O)c3cccc4n[n-]nc43)C2)cc1 ZINC000855228271 595635855 /nfs/dbraw/zinc/63/58/55/595635855.db2.gz YNPNDOKBFPOJKT-GFCCVEGCSA-N -1 3 337.383 1.975 20 10 EDCDHM COc1ccc(O)c(CNC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000114542875 596053303 /nfs/dbraw/zinc/05/33/03/596053303.db2.gz WMUADMIXTSSUNX-UHFFFAOYSA-N -1 3 325.324 1.567 20 10 EDCDHM Cc1nn(C)c(C)c1OCC(=O)NCc1ccc2cccnc2c1[O-] ZINC000862026890 596185728 /nfs/dbraw/zinc/18/57/28/596185728.db2.gz BSRWAOOOZWFTGJ-UHFFFAOYSA-N -1 3 340.383 1.986 20 10 EDCDHM O=C(N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1cc([O-])cs1 ZINC000871159442 596483301 /nfs/dbraw/zinc/48/33/01/596483301.db2.gz USCKEVCPAYELDY-VXGBXAGGSA-N -1 3 344.458 1.577 20 10 EDCDHM C[C@H](NCc1nnc2n1CCNC2=O)c1ccc2ccccc2c1[O-] ZINC000883303720 597708622 /nfs/dbraw/zinc/70/86/22/597708622.db2.gz FEZNIBDERGKVRJ-NSHDSACASA-N -1 3 337.383 1.731 20 10 EDCDHM COC(=O)c1cc(CNC(=O)NCc2c([O-])cccc2F)n(C)c1C ZINC000924018874 697244544 /nfs/dbraw/zinc/24/45/44/697244544.db2.gz ACHCDVZLVLBVKF-UHFFFAOYSA-N -1 3 349.362 1.964 20 10 EDCDHM CC1(C)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000270181230 249388711 /nfs/dbraw/zinc/38/87/11/249388711.db2.gz YSTNDRQVKWWSLY-NSHDSACASA-N -1 3 342.417 1.451 20 10 EDCDHM Cc1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)c([O-])c1O ZINC000373246068 250234285 /nfs/dbraw/zinc/23/42/85/250234285.db2.gz VDUWBPABIYTUOQ-UHFFFAOYSA-N -1 3 329.356 1.880 20 10 EDCDHM COC(=O)C[C@H]1COCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000377834977 250294556 /nfs/dbraw/zinc/29/45/56/250294556.db2.gz PSLMDVZDUDLBKZ-LBPRGKRZSA-N -1 3 329.780 1.818 20 10 EDCDHM CCc1nnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])[nH]1 ZINC000159138295 441789714 /nfs/dbraw/zinc/78/97/14/441789714.db2.gz XHSYRTKQDSSRIL-UHFFFAOYSA-N -1 3 338.795 1.901 20 10 EDCDHM CC(=O)c1cc(F)cc(CN2CCN(C[C@@H]3CCOC3)CC2)c1[O-] ZINC000079498211 442055631 /nfs/dbraw/zinc/05/56/31/442055631.db2.gz KGNOJMLWOFUBQQ-AWEZNQCLSA-N -1 3 336.407 1.888 20 10 EDCDHM CCCOc1ccc(CN2CC[C@H](S(=O)(=O)NCC)C2)c([O-])c1 ZINC000181562114 442703887 /nfs/dbraw/zinc/70/38/87/442703887.db2.gz DFXAFQBOEXZJDM-HNNXBMFYSA-N -1 3 342.461 1.695 20 10 EDCDHM Cc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)c([O-])c1O ZINC000272763943 443437444 /nfs/dbraw/zinc/43/74/44/443437444.db2.gz LWXMIGZWPWZAGW-UHFFFAOYSA-N -1 3 340.379 1.721 20 10 EDCDHM COc1c([O-])c(CN(C)CCNC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000278893778 443472562 /nfs/dbraw/zinc/47/25/62/443472562.db2.gz QAXHKRYPPSVRSI-UHFFFAOYSA-N -1 3 325.365 1.513 20 10 EDCDHM CCN(Cc1ccccn1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000270868442 443483486 /nfs/dbraw/zinc/48/34/86/443483486.db2.gz JIMQZWOWJDNVLF-UHFFFAOYSA-N -1 3 349.412 1.821 20 10 EDCDHM CCOCCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278837879 443456523 /nfs/dbraw/zinc/45/65/23/443456523.db2.gz JJMOUTCKEOERKD-ZDUSSCGKSA-N -1 3 340.376 1.936 20 10 EDCDHM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1O ZINC000272822611 443457258 /nfs/dbraw/zinc/45/72/58/443457258.db2.gz OVHQSZCFLZNDCO-OAHLLOKOSA-N -1 3 340.379 1.937 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C2CC2)c1 ZINC000271376225 443502408 /nfs/dbraw/zinc/50/24/08/443502408.db2.gz GWHBINOWLYBRIY-CYBMUJFWSA-N -1 3 340.401 1.015 20 10 EDCDHM COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000276286842 443681860 /nfs/dbraw/zinc/68/18/60/443681860.db2.gz SOLIAFYQFVSIAF-DGCLKSJQSA-N -1 3 329.780 1.553 20 10 EDCDHM CCn1nncc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000530202959 320615045 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COc1c([O-])c(CN2CC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000278392135 443317769 /nfs/dbraw/zinc/31/77/69/443317769.db2.gz NAAPZKMYCWZNNW-LBPRGKRZSA-N -1 3 335.360 1.506 20 10 EDCDHM Cc1ccc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c([O-])c1O ZINC000272725968 443422780 /nfs/dbraw/zinc/42/27/80/443422780.db2.gz IRASRJQNOTWALY-SNVBAGLBSA-N -1 3 344.371 1.248 20 10 EDCDHM C[C@H]1COC[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271362600 443501587 /nfs/dbraw/zinc/50/15/87/443501587.db2.gz IYCFXROARGRNLM-UWVGGRQHSA-N -1 3 328.390 1.013 20 10 EDCDHM C[C@@H]1C[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271275756 443498550 /nfs/dbraw/zinc/49/85/50/443498550.db2.gz BLVDHNHBYGWNAF-MNOVXSKESA-N -1 3 342.417 1.309 20 10 EDCDHM CO[C@H]1C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000286041239 443632408 /nfs/dbraw/zinc/63/24/08/443632408.db2.gz PTSCQBCYQILOSA-PHIMTYICSA-N -1 3 328.390 1.013 20 10 EDCDHM COc1cc(Cl)cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1[O-] ZINC000284260523 443770786 /nfs/dbraw/zinc/77/07/86/443770786.db2.gz GGROUHXKAJXETR-VXGBXAGGSA-N -1 3 328.840 1.941 20 10 EDCDHM COc1c([O-])c(CN2CCC[C@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000278234176 444120735 /nfs/dbraw/zinc/12/07/35/444120735.db2.gz NCACIATYZVKAJQ-LBPRGKRZSA-N -1 3 326.349 1.282 20 10 EDCDHM Cc1cc(N2CCC[C@H](NC(=O)c3cccc(O)c3[O-])C2)nc(C)n1 ZINC000364829735 445959345 /nfs/dbraw/zinc/95/93/45/445959345.db2.gz MPKQEQSZDSJWFC-ZDUSSCGKSA-N -1 3 342.399 1.903 20 10 EDCDHM O=C(CNC(=O)c1cccc(O)c1[O-])N[C@@H]1CCOc2ccccc21 ZINC000367114715 446509504 /nfs/dbraw/zinc/50/95/04/446509504.db2.gz UCVAYSUTIQJOBW-CYBMUJFWSA-N -1 3 342.351 1.468 20 10 EDCDHM O=C1NCCN(Cc2cc3c(cc2[O-])OCO3)[C@H]1c1cccs1 ZINC000371791895 446964651 /nfs/dbraw/zinc/96/46/51/446964651.db2.gz DPDSQURNSNMKIJ-HNNXBMFYSA-N -1 3 332.381 1.856 20 10 EDCDHM O=S1(=O)CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000219779957 485781875 /nfs/dbraw/zinc/78/18/75/485781875.db2.gz ZLAAZDYJPVGPJY-UHFFFAOYSA-N -1 3 334.235 1.775 20 10 EDCDHM CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)Cc2ccccc2[O-])CC1 ZINC000732203308 578697329 /nfs/dbraw/zinc/69/73/29/578697329.db2.gz WPWJYFKIXUGUTG-AWEZNQCLSA-N -1 3 349.431 1.513 20 10 EDCDHM O=C(COC(=O)c1cc([O-])cs1)NCCN1CCc2ccccc21 ZINC000732352678 578707370 /nfs/dbraw/zinc/70/73/70/578707370.db2.gz BKFROLLUFAKVBW-UHFFFAOYSA-N -1 3 346.408 1.789 20 10 EDCDHM Cc1cc(Br)c([O-])c(CN2CCN3CCOC[C@H]3C2)c1 ZINC000757927583 579973211 /nfs/dbraw/zinc/97/32/11/579973211.db2.gz GTRCMSSNFALZLZ-CYBMUJFWSA-N -1 3 341.249 1.980 20 10 EDCDHM NS(=O)(=O)c1ccc(CCOC(=O)c2cc([O-])cs2)cc1 ZINC000767628423 580195566 /nfs/dbraw/zinc/19/55/66/580195566.db2.gz NHZOMEYTYNRQIB-UHFFFAOYSA-N -1 3 327.383 1.501 20 10 EDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCN1CC(F)F ZINC000768466327 580214275 /nfs/dbraw/zinc/21/42/75/580214275.db2.gz ZCCAZQBGSWMKGK-IUODEOHRSA-N -1 3 342.386 1.979 20 10 EDCDHM CN(CCNC(=O)c1cc([O-])cs1)S(=O)(=O)c1cccs1 ZINC000772542366 580315191 /nfs/dbraw/zinc/31/51/91/580315191.db2.gz NPJADFATQCCHQP-UHFFFAOYSA-N -1 3 346.455 1.566 20 10 EDCDHM Cc1cc(Cl)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1[O-] ZINC000775649844 580396257 /nfs/dbraw/zinc/39/62/57/580396257.db2.gz TXMJLEXBFZAPJA-UHFFFAOYSA-N -1 3 347.868 1.278 20 10 EDCDHM O=C(NCCNC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000776327659 580414898 /nfs/dbraw/zinc/41/48/98/580414898.db2.gz MQPSMLXTCIWNJI-UHFFFAOYSA-N -1 3 334.759 1.911 20 10 EDCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCCOC1 ZINC000780781259 580533449 /nfs/dbraw/zinc/53/34/49/580533449.db2.gz IXBKUSRVDOXDIW-QWRGUYRKSA-N -1 3 342.417 1.309 20 10 EDCDHM Cc1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c([O-])c1O ZINC000780915265 580537458 /nfs/dbraw/zinc/53/74/58/580537458.db2.gz LKGRSONJNJOWLA-AWEZNQCLSA-N -1 3 334.416 1.733 20 10 EDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000787750273 580704010 /nfs/dbraw/zinc/70/40/10/580704010.db2.gz YFXYQOSBWXKIDG-VFZGTOFNSA-N -1 3 331.324 1.678 20 10 EDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccnc2F)c1 ZINC000794015931 580865136 /nfs/dbraw/zinc/86/51/36/580865136.db2.gz AKMFPTGVSVTVOE-UHFFFAOYSA-N -1 3 339.348 1.228 20 10 EDCDHM CO[C@]1(CO)CCCN(C(=O)c2cc3cc(O)c([O-])cc3s2)C1 ZINC000898672049 591469469 /nfs/dbraw/zinc/46/94/69/591469469.db2.gz XHMBAODIUICBGJ-MRXNPFEDSA-N -1 3 337.397 1.926 20 10 EDCDHM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000907994348 592254415 /nfs/dbraw/zinc/25/44/15/592254415.db2.gz YTDCZZOCXAUEBB-GHMZBOCLSA-N -1 3 341.433 1.671 20 10 EDCDHM C[C@@H]1C[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)O1 ZINC000839848464 593199436 /nfs/dbraw/zinc/19/94/36/593199436.db2.gz DJEOWHSPORKBDC-MXWKQRLJSA-N -1 3 342.417 1.307 20 10 EDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CCN1C(=O)c1cscn1 ZINC000839793556 593422662 /nfs/dbraw/zinc/42/26/62/593422662.db2.gz WBMIIJQJXVSFJL-VIFPVBQESA-N -1 3 337.426 1.897 20 10 EDCDHM Cc1nnc(CC(=O)NCc2cc(Br)ccc2[O-])o1 ZINC000813611026 593543542 /nfs/dbraw/zinc/54/35/42/593543542.db2.gz XZUQXHXXHJQAAY-UHFFFAOYSA-N -1 3 326.150 1.705 20 10 EDCDHM