smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000071029999 202339257 /nfs/dbraw/zinc/33/92/57/202339257.db2.gz LNNPXVXRLHGNGF-UHFFFAOYSA-N -2 0 333.728 2.010 10 0 EEAERL Cc1ccc(-c2cc(=NC(=O)N=c3ccc(OC(C)C)n[n-]3)[nH][n-]2)o1 ZINC000346499734 161377363 /nfs/dbraw/zinc/37/73/63/161377363.db2.gz CHTCVRPYXZUWLH-UHFFFAOYSA-N -2 0 342.359 2.043 10 0 EEAERL CCn1cnc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000355776558 163297802 /nfs/dbraw/zinc/29/78/02/163297802.db2.gz ATHBXYKZRGBUGO-UHFFFAOYSA-N -2 0 343.792 2.364 10 0 EEAERL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000583693257 468742123 /nfs/dbraw/zinc/74/21/23/468742123.db2.gz HSFVJUYBULDHDC-OAHLLOKOSA-N -2 0 327.402 2.152 10 0 EEAERL C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659768417 471736276 /nfs/dbraw/zinc/73/62/76/471736276.db2.gz YXDUVDDWCZYBEL-DDTOSNHZSA-N -2 0 349.383 2.015 10 0 EEAERL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777636143 577483781 /nfs/dbraw/zinc/48/37/81/577483781.db2.gz OCBWZOUKPPQNSK-UHFFFAOYSA-N -2 0 349.412 2.355 10 0 EEAERL CCC[C@@](C)(NC(=O)NCCc1c(F)cc(O)cc1F)C(=O)[O-] ZINC000929019825 690634879 /nfs/dbraw/zinc/63/48/79/690634879.db2.gz JFOORYIKWNPPFU-OAHLLOKOSA-N -2 0 330.331 2.156 10 0 EEAERL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000398024468 1255350669 /nfs/dbraw/zinc/35/06/69/1255350669.db2.gz BVCDBWLPBOLAEO-SECBINFHSA-N -2 0 341.282 2.129 10 0 EEAERL O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(O)c2ccccc2c1 ZINC000910594347 786916880 /nfs/dbraw/zinc/91/68/80/786916880.db2.gz HIKUWZIPOFSMTF-ZFWWWQNUSA-N -2 0 329.352 2.298 10 0 EEAERL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1s[n-]c(=O)c1Cl ZINC000356018396 153245909 /nfs/dbraw/zinc/24/59/09/153245909.db2.gz XRZWLJNVCMNKRX-UHFFFAOYSA-N -2 0 337.748 2.245 10 0 EEAERL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1O ZINC000392310469 323548979 /nfs/dbraw/zinc/54/89/79/323548979.db2.gz FCZMFNGYSJCNJI-UHFFFAOYSA-N -2 0 344.348 2.439 10 0 EEAERL CC(C)[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)C(=O)[O-] ZINC000653542605 471659181 /nfs/dbraw/zinc/65/91/81/471659181.db2.gz WMABCPRWRBFISC-SECBINFHSA-N -2 0 340.430 2.167 10 0 EEAERL Cc1cccc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)c1Cl ZINC000863958488 1197937778 /nfs/dbraw/zinc/93/77/78/1197937778.db2.gz ZZFVRDOKIHXZDS-UHFFFAOYSA-N -2 0 345.804 2.098 10 0 EEAERL Cc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910189782 786522256 /nfs/dbraw/zinc/52/22/56/786522256.db2.gz TUYRQKJQHWBIFR-LSDHHAIUSA-N -2 0 333.384 2.094 10 0 EEAERL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1s[n-]c(=O)c1Cl ZINC001442994372 1097413937 /nfs/dbraw/zinc/41/39/37/1097413937.db2.gz IHKHWKGKDDAZBP-UHFFFAOYSA-N -2 0 338.732 2.098 10 0 EEAERL O=C([O-])C[C@](O)(CSCCCCCCc1ccncc1)C(=O)[O-] ZINC000027183805 463184328 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2.008 10 0 EEAERL Cc1cc(F)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000663269391 472433439 /nfs/dbraw/zinc/43/34/39/472433439.db2.gz MVOXGZZRVLEJTF-UHFFFAOYSA-N -2 0 341.364 2.411 10 0 EEAERL CC(=O)c1cc(F)c([O-])c([N-]S(=O)(=O)CCOCC2CCC2)c1 ZINC000901952387 1236703481 /nfs/dbraw/zinc/70/34/81/1236703481.db2.gz ILPSEMQEHOZRGO-UHFFFAOYSA-N -2 0 345.392 2.292 10 0 EEAERL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)s1 ZINC000863963659 939245861 /nfs/dbraw/zinc/24/58/61/939245861.db2.gz CWKCYSXFFUCZNG-NSHDSACASA-N -2 0 345.442 2.061 10 0 EEAERL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)sc1C ZINC000055312424 214306848 /nfs/dbraw/zinc/30/68/48/214306848.db2.gz SUDVOUGOKVBMSQ-UHFFFAOYSA-N -2 0 330.387 2.414 10 0 EEAERL Cc1[n-]n(Cc2ccc(Br)cc2)c(=O)c1CC(=O)[O-] ZINC000071194171 203087693 /nfs/dbraw/zinc/08/76/93/203087693.db2.gz OFKVYVBPNYHOEM-NSHDSACASA-N -2 0 325.162 2.258 10 0 EEAERL CCn1cncc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000547881946 318331704 /nfs/dbraw/zinc/33/17/04/318331704.db2.gz PWYWASUOMSJVRG-UHFFFAOYSA-N -2 0 343.792 2.364 10 0 EEAERL O=C(NC1(c2nnn[n-]2)CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000579255317 468332771 /nfs/dbraw/zinc/33/27/71/468332771.db2.gz BIQYLFNOHZPPPK-UHFFFAOYSA-N -2 0 341.293 2.123 10 0 EEAERL Cc1cc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)sc1C(=O)[O-] ZINC000279946419 464168778 /nfs/dbraw/zinc/16/87/78/464168778.db2.gz YFLNYJRBNRDFIO-UHFFFAOYSA-N -2 0 341.414 2.469 10 0 EEAERL O=C([O-])CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-] ZINC000085589376 571784755 /nfs/dbraw/zinc/78/47/55/571784755.db2.gz XWRIIHRGMKHPHN-LLVPEOCGSA-N -2 0 338.400 2.443 10 0 endogenous,in-man EEAERL Cn1cc(C(=O)N[N-]C(=O)c2c([O-])cc(F)cc2F)c2ccccc21 ZINC000066042594 681317961 /nfs/dbraw/zinc/31/79/61/681317961.db2.gz IYAXKVUTVQXZNJ-UHFFFAOYSA-N -2 0 345.305 2.237 10 0 EEAERL COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)ccc1OCC(=O)[O-] ZINC000789147172 807859216 /nfs/dbraw/zinc/85/92/16/807859216.db2.gz GKQNFQFMQVPZTI-RQOWECAXSA-N -2 0 329.308 2.422 10 0 EEAERL Cc1cnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)s1 ZINC000022148618 212280802 /nfs/dbraw/zinc/28/08/02/212280802.db2.gz LPYBVPQIZREQEP-UHFFFAOYSA-N -2 0 326.399 2.270 10 0 EEAERL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(Cc2nn[nH]n2)cc1 ZINC000187025192 160090271 /nfs/dbraw/zinc/09/02/71/160090271.db2.gz TZNUPBQHDBLZFD-UHFFFAOYSA-N -2 0 347.375 2.039 10 0 EEAERL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000057819617 463520682 /nfs/dbraw/zinc/52/06/82/463520682.db2.gz QUCQIMMTRKCORB-UHFFFAOYSA-N -2 0 346.317 2.294 10 0 EEAERL COc1cc(F)cc(-c2noc(=NC3CCC(C(=O)[O-])CC3)[n-]2)c1 ZINC000629765529 469625316 /nfs/dbraw/zinc/62/53/16/469625316.db2.gz DWQQTRDOKHPUKO-UHFFFAOYSA-N -2 0 335.335 2.362 10 0 EEAERL Cc1ccncc1S(=O)(=O)[N-]c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630425947 469842496 /nfs/dbraw/zinc/84/24/96/469842496.db2.gz VSPWFRUBFOCIRH-UONOGXRCSA-N -2 0 332.381 2.379 10 0 EEAERL CC(C)Cc1nc(=NC(=O)c2cc(=O)c3ccccc3[n-]2)s[n-]1 ZINC000618346001 469968709 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EEAERL O=C([O-])[C@H]1C[C@H](N=c2[n-]c(C3CCOCC3)no2)c2ccccc21 ZINC000649403482 470576771 /nfs/dbraw/zinc/57/67/71/470576771.db2.gz GDSAVUTVGWTVRF-KBPBESRZSA-N -2 0 329.356 2.111 10 0 EEAERL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000647924384 471017745 /nfs/dbraw/zinc/01/77/45/471017745.db2.gz GHHRKDJCUQXYIL-UHFFFAOYSA-N -2 0 349.364 2.049 10 0 EEAERL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000672771004 486190225 /nfs/dbraw/zinc/19/02/25/486190225.db2.gz ZEFVZIYLLQIUPU-GFCCVEGCSA-N -2 0 347.737 2.217 10 0 EEAERL O=C([O-])c1cc(Br)c([S@](=O)[O-])c(Br)c1 ZINC000675062279 564112354 /nfs/dbraw/zinc/11/23/54/564112354.db2.gz OLKQCRRJDXQOJC-UHFFFAOYSA-N -2 0 343.980 2.490 10 0 EEAERL Cc1cnc(Cl)c(S(=O)(=O)N[C@@H](C)[C@H](C(=O)[O-])C(C)C)c1 ZINC000905991977 783624476 /nfs/dbraw/zinc/62/44/76/783624476.db2.gz HHSYAEGQQQAVIE-GXSJLCMTSA-N -2 0 334.825 2.067 10 0 EEAERL COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000909711560 786188375 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Cc1cn(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000663265802 472430619 /nfs/dbraw/zinc/43/06/19/472430619.db2.gz JPRSUIUWWCCRHO-UHFFFAOYSA-N -2 0 337.401 2.351 10 0 EEAERL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000160326181 676010347 /nfs/dbraw/zinc/01/03/47/676010347.db2.gz XBAIICYVESDYHU-UHFFFAOYSA-N -2 0 346.311 2.323 10 0 EEAERL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1(F)CC1 ZINC000905988887 783621925 /nfs/dbraw/zinc/62/19/25/783621925.db2.gz UIHUPGLJRSQVNY-UHFFFAOYSA-N -2 0 331.365 2.417 10 0 EEAERL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000535766569 317981064 /nfs/dbraw/zinc/98/10/64/317981064.db2.gz NLQLJOOVKMHGKT-UHFFFAOYSA-N -2 0 331.346 2.400 10 0 EEAERL O=C([O-])[C@H](CC1CCCC1)NS(=O)(=O)c1cncc(Cl)c1 ZINC000548555215 318395920 /nfs/dbraw/zinc/39/59/20/318395920.db2.gz OJHIWBBAMPASFN-LBPRGKRZSA-N -2 0 332.809 2.047 10 0 EEAERL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242136 462689864 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/nfs/dbraw/zinc/33/07/51/463330751.db2.gz DSRSIDQCAPEMFA-UHFFFAOYSA-N -2 0 340.288 2.233 10 0 EEAERL CCn1nccc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000471969909 467984175 /nfs/dbraw/zinc/98/41/75/467984175.db2.gz KXXOURAHKJJFMS-UHFFFAOYSA-N -2 0 343.792 2.364 10 0 EEAERL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000573925260 469231764 /nfs/dbraw/zinc/23/17/64/469231764.db2.gz UBIZEDWZVWPSCN-YGRLFVJLSA-N -2 0 343.401 2.093 10 0 EEAERL CC(=O)c1cc(F)c([O-])c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000901952466 1236703989 /nfs/dbraw/zinc/70/39/89/1236703989.db2.gz KMGPYECTQRSDSW-LLVKDONJSA-N -2 0 331.365 2.045 10 0 EEAERL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc(O)cc(C(F)(F)F)c1)C2 ZINC000910339911 786670241 /nfs/dbraw/zinc/67/02/41/786670241.db2.gz JQSXSKDJAIPZON-BFVZDQMLSA-N -2 0 329.274 2.394 10 0 EEAERL Cc1c(S(=O)(=O)[N-]c2cc3ccccc3c(C(=O)[O-])c2)cnn1C ZINC000793410687 810306433 /nfs/dbraw/zinc/30/64/33/810306433.db2.gz HGDFCMXDTUWYCJ-UHFFFAOYSA-N -2 0 345.380 2.381 10 0 EEAERL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)cc1 ZINC000360898838 304089546 /nfs/dbraw/zinc/08/95/46/304089546.db2.gz GWWQNABONVAZCL-UHFFFAOYSA-N -2 0 347.392 2.440 10 0 EEAERL CC[C@H](C)CS(=O)(=O)Nc1c(OC)cc(OC)cc1C(=O)[O-] ZINC000547549275 318298859 /nfs/dbraw/zinc/29/88/59/318298859.db2.gz ZIDUCBGIOSXNOU-VIFPVBQESA-N -2 0 331.390 2.190 10 0 EEAERL O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1F ZINC000390008091 467405282 /nfs/dbraw/zinc/40/52/82/467405282.db2.gz MQTWUNPUHNAOBO-UHFFFAOYSA-N -2 0 340.288 2.233 10 0 EEAERL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cccnc2)cc1)C(=O)[O-] ZINC000556773800 468571016 /nfs/dbraw/zinc/57/10/16/468571016.db2.gz SWEQMOOKVQILQA-JTQLQIEISA-N -2 0 338.410 2.448 10 0 EEAERL CCn1nccc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000681561623 486274900 /nfs/dbraw/zinc/27/49/00/486274900.db2.gz ISENKGDXJNXHIC-UHFFFAOYSA-N -2 0 343.792 2.364 10 0 EEAERL CCCc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1 ZINC000863953174 1197936211 /nfs/dbraw/zinc/93/62/11/1197936211.db2.gz OOCAOXSTUCBGGT-UHFFFAOYSA-N -2 0 327.402 2.089 10 0 EEAERL CSCCCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182075 786514418 /nfs/dbraw/zinc/51/44/18/786514418.db2.gz HPFCZFYUWOVOSW-NEPJUHHUSA-N -2 0 331.434 2.076 10 0 EEAERL C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910192438 786524578 /nfs/dbraw/zinc/52/45/78/786524578.db2.gz QFSNMHBIKTVWAS-PEVHHZDISA-N -2 0 335.331 2.005 10 0 EEAERL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000362840128 164811020 /nfs/dbraw/zinc/81/10/20/164811020.db2.gz OQSVKHPPIXACDY-UHFFFAOYSA-N -2 0 345.376 2.331 10 0 EEAERL Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])cc1F ZINC000297040653 294136290 /nfs/dbraw/zinc/13/62/90/294136290.db2.gz UPAHPJHXXQNSCC-NXEZZACHSA-N -2 0 333.356 2.052 10 0 EEAERL CCC[C@@H](C)CS(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000547870044 318330987 /nfs/dbraw/zinc/33/09/87/318330987.db2.gz UKLJUPQPMUHGSS-SECBINFHSA-N -2 0 329.374 2.261 10 0 EEAERL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000548236856 318367095 /nfs/dbraw/zinc/36/70/95/318367095.db2.gz AXOOJFMVPFNEMG-UTLUCORTSA-N -2 0 331.356 2.280 10 0 EEAERL Cc1ccc(CCOC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000074806977 462637627 /nfs/dbraw/zinc/63/76/27/462637627.db2.gz PPQOAGBWRUTIQR-UHFFFAOYSA-N -2 0 339.351 2.040 10 0 EEAERL Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc12 ZINC000093909295 463052448 /nfs/dbraw/zinc/05/24/48/463052448.db2.gz FAOSZDJYOQCDMV-UHFFFAOYSA-N -2 0 335.341 2.272 10 0 EEAERL Cc1c(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cccc1C(=O)[O-] ZINC000325122266 466653505 /nfs/dbraw/zinc/65/35/05/466653505.db2.gz XDKQRFUWMDLMKO-UHFFFAOYSA-N -2 0 349.364 2.333 10 0 EEAERL CO[C@H](C)c1nc(=NC(=O)c2cc(F)c([O-])c(Cl)c2)s[n-]1 ZINC000436639965 467548049 /nfs/dbraw/zinc/54/80/49/467548049.db2.gz NEVOZTNNIICZKF-RXMQYKEDSA-N -2 0 331.756 2.418 10 0 EEAERL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653280688 471565720 /nfs/dbraw/zinc/56/57/20/471565720.db2.gz FEVHOCHFUKRZFW-HNAYVOBHSA-N -2 0 345.395 2.390 10 0 EEAERL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC000923100500 788832640 /nfs/dbraw/zinc/83/26/40/788832640.db2.gz GKZOHSMSGYRVMU-FZKCQIBNSA-N -2 0 345.395 2.032 10 0 EEAERL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1F ZINC000274934628 269076898 /nfs/dbraw/zinc/07/68/98/269076898.db2.gz DATWWWLCVDMOAM-UHFFFAOYSA-N -2 0 341.364 2.411 10 0 EEAERL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(F)c(C)cc1C(=O)[O-] ZINC000547615184 318303508 /nfs/dbraw/zinc/30/35/08/318303508.db2.gz JMOJAQWJLUFNGE-UHFFFAOYSA-N -2 0 328.321 2.238 10 0 EEAERL COc1ccc(OCCS(=O)(=O)Nc2cc(O)cc(F)c2)cc1 ZINC000348910428 465868580 /nfs/dbraw/zinc/86/85/80/465868580.db2.gz WDUIUQKTYFUCBS-UHFFFAOYSA-N -2 0 341.360 2.361 10 0 EEAERL C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655878069 471516238 /nfs/dbraw/zinc/51/62/38/471516238.db2.gz AGJBVBBHDHOOEQ-RXDNMWQFSA-N -2 0 340.420 2.064 10 0 EEAERL C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121177 472365492 /nfs/dbraw/zinc/36/54/92/472365492.db2.gz GSOHUIRYYGHRFS-MGAJPHDKSA-N -2 0 325.405 2.129 10 0 EEAERL Cc1cc(F)c(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000663270530 472433052 /nfs/dbraw/zinc/43/30/52/472433052.db2.gz ZGJMUYPILMYSLU-UHFFFAOYSA-N -2 0 341.364 2.480 10 0 EEAERL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1 ZINC001261888432 1322193999 /nfs/dbraw/zinc/19/39/99/1322193999.db2.gz PPDIXYRMKCJLSX-UHFFFAOYSA-N -2 0 345.380 2.381 10 0 EEAERL COc1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])cc(Cl)c1O ZINC000909015515 785950109 /nfs/dbraw/zinc/95/01/09/785950109.db2.gz CLUYOVFHDMHZOV-VIFPVBQESA-N -2 0 345.804 2.087 10 0 EEAERL COc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021008312 212199557 /nfs/dbraw/zinc/19/95/57/212199557.db2.gz MSHUTASIOKNNDO-UHFFFAOYSA-N -2 0 327.383 2.185 10 0 EEAERL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)CC(=O)[O-] ZINC000570519751 319673337 /nfs/dbraw/zinc/67/33/37/319673337.db2.gz ZIGLEWJYNWLBOF-ZETCQYMHSA-N -2 0 341.763 2.397 10 0 EEAERL O=C1NCc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])c21 ZINC000339210012 465143999 /nfs/dbraw/zinc/14/39/99/465143999.db2.gz VCMBEJAYZXVBGH-UHFFFAOYSA-N -2 0 338.772 2.090 10 0 EEAERL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000013464077 462893120 /nfs/dbraw/zinc/89/31/20/462893120.db2.gz OUUHPLGILRYWRA-UHFFFAOYSA-N -2 0 337.353 2.203 10 0 EEAERL Cc1cc(C(=O)N2CC3(CC3)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000073892903 463667125 /nfs/dbraw/zinc/66/71/25/463667125.db2.gz LOTMIBCKURKPDI-UHFFFAOYSA-N -2 0 348.362 2.024 10 0 EEAERL CCCc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(C(=O)[O-])c1 ZINC000362285009 465631037 /nfs/dbraw/zinc/63/10/37/465631037.db2.gz MTZYHKZDTLSBAL-UHFFFAOYSA-N -2 0 349.412 2.281 10 0 EEAERL CO[C@@H](C)c1nc(=NC(=O)c2cc(F)c([O-])c(Cl)c2)s[n-]1 ZINC000436639967 467547971 /nfs/dbraw/zinc/54/79/71/467547971.db2.gz NEVOZTNNIICZKF-YFKPBYRVSA-N -2 0 331.756 2.418 10 0 EEAERL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909015529 785949854 /nfs/dbraw/zinc/94/98/54/785949854.db2.gz CWMOQDSPPGHBFQ-MRVPVSSYSA-N -2 0 333.768 2.217 10 0 EEAERL O=C([N-]CCCSc1nc(C(F)(F)F)cc(=O)[n-]1)C(F)(F)F ZINC000151567713 793605551 /nfs/dbraw/zinc/60/55/51/793605551.db2.gz VCECYZJQSYCNCJ-UHFFFAOYSA-N -2 0 349.256 2.362 10 0 EEAERL C[C@H](O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000049544876 214016829 /nfs/dbraw/zinc/01/68/29/214016829.db2.gz AUOGVWGQUJGOPY-QMMMGPOBSA-N -2 0 327.383 2.300 10 0 EEAERL CC[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C)OC ZINC000421167798 314059149 /nfs/dbraw/zinc/05/91/49/314059149.db2.gz VRISSCVAHDXOLJ-NSHDSACASA-N -2 0 345.417 2.339 10 0 EEAERL CCc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1 ZINC000547544236 318298240 /nfs/dbraw/zinc/29/82/40/318298240.db2.gz IZHLTPKUQBRMKI-UHFFFAOYSA-N -2 0 349.364 2.446 10 0 EEAERL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000063911955 462681691 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