smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000013633306 135701755 /nfs/dbraw/zinc/70/17/55/135701755.db2.gz ZHUDDGYVZWSKRO-FOWTUZBSSA-N -1 0 335.363 2.419 50 10 EECARM COc1ccc(N(CC(=O)[O-])CC(=O)NC2CCCCCC2)cc1 ZINC000034926488 295154817 /nfs/dbraw/zinc/15/48/17/295154817.db2.gz BYGKRAAOGMUIJK-UHFFFAOYSA-N -1 0 334.416 2.425 50 10 EECARM CC(=O)Oc1cccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)c1 ZINC000016182924 462971664 /nfs/dbraw/zinc/97/16/64/462971664.db2.gz UXDJUMYNWZJWQQ-YBEGLDIGSA-N -1 0 340.310 2.212 50 10 EECARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000016309473 277398883 /nfs/dbraw/zinc/39/88/83/277398883.db2.gz KQNXEZYBTVPACL-PTNGSMBKSA-N -1 0 328.368 2.490 50 10 EECARM Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccccc2Cl)C1=O ZINC000012731617 462864578 /nfs/dbraw/zinc/86/45/78/462864578.db2.gz OCLFLRLSJRUZLN-UKTHLTGXSA-N -1 0 343.770 2.341 50 10 EECARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cnn(-c2ccccc2)c1 ZINC000015799717 462963225 /nfs/dbraw/zinc/96/32/25/462963225.db2.gz GPFCMGLXSUUZOK-BOPFTXTBSA-N -1 0 330.347 2.334 50 10 EECARM Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000013126337 201885429 /nfs/dbraw/zinc/88/54/29/201885429.db2.gz DQXYSIDVUYCADC-NTCAYCPXSA-N -1 0 327.384 2.377 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000005043691 462644019 /nfs/dbraw/zinc/64/40/19/462644019.db2.gz DENKAGNNYVMEJL-WQLSENKSSA-N -1 0 341.279 2.163 50 10 EECARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 ZINC000023633984 202106038 /nfs/dbraw/zinc/10/60/38/202106038.db2.gz HRAYLQOFKFSAJS-GHXNOFRVSA-N -1 0 330.727 2.213 50 10 EECARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(O)c1 ZINC000097963969 203975840 /nfs/dbraw/zinc/97/58/40/203975840.db2.gz UXXOUFNYSOXSGQ-CVTQAYBASA-N -1 0 337.339 2.341 50 10 EECARM O=C([N-]N1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccco1 ZINC000012954083 1205852805 /nfs/dbraw/zinc/85/28/05/1205852805.db2.gz YNACZJUWWFCMTM-XFFZJAGNSA-N -1 0 331.378 2.221 50 10 EECARM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNN1CCCCC1 ZINC000038186982 1352418706 /nfs/dbraw/zinc/41/87/06/1352418706.db2.gz XVVBXVNRKTXDSY-FYWRMAATSA-N -1 0 342.399 2.022 50 10 EECARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000002972343 291881428 /nfs/dbraw/zinc/88/14/28/291881428.db2.gz VWXRILTYFXNRMQ-UHFFFAOYSA-N -1 0 337.379 2.460 50 10 EECARM O=C([O-])COc1ccc(C=C2SC(=S)NC2=O)cc1Cl ZINC000001169862 462578037 /nfs/dbraw/zinc/57/80/37/462578037.db2.gz UVYOPTXUMGKWCN-RUDMXATFSA-N -1 0 329.786 2.292 50 10 EECARM COc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1Cl ZINC000003139761 462611712 /nfs/dbraw/zinc/61/17/12/462611712.db2.gz KZAKZRFKDZZSKR-UHFFFAOYSA-N -1 0 346.726 2.358 50 10 EECARM O=C([O-])CN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])o2)SC1=S ZINC000004264263 462630554 /nfs/dbraw/zinc/63/05/54/462630554.db2.gz JEUNPFQODSMQJV-URUMLEIASA-N -1 0 340.338 2.030 50 10 EECARM O=C1[N-]C(=O)C(=CNc2ccccc2Sc2ccccc2)C(=O)N1 ZINC000100815943 219108000 /nfs/dbraw/zinc/10/80/00/219108000.db2.gz SWXJSFKZDPNVBZ-UHFFFAOYSA-N -1 0 339.376 2.500 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000001221124 462577276 /nfs/dbraw/zinc/57/72/76/462577276.db2.gz XGTGMKYGVNHPTC-RILYUOAZSA-N -1 0 336.438 2.427 50 10 in-vitro EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1 ZINC000019788782 1229406832 /nfs/dbraw/zinc/40/68/32/1229406832.db2.gz NWYKQLJPXPDCCV-UVTDQMKNSA-N -1 0 338.319 2.067 50 10 EECARM CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C1C(=O)[N-]C(=O)NC1=O ZINC000206828767 539657112 /nfs/dbraw/zinc/65/71/12/539657112.db2.gz IULJESHOCHMIJP-UUJYEEJDSA-N -1 0 337.379 2.147 50 10 EECARM Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)[N-]C2=S)c1 ZINC000101183128 292084263 /nfs/dbraw/zinc/08/42/63/292084263.db2.gz CWZQONASUQXPKT-LCYFTJDESA-N -1 0 325.393 2.463 50 10 EECARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000133651 276881446 /nfs/dbraw/zinc/88/14/46/276881446.db2.gz LRSSRLBEFAEMOY-ATVHPVEESA-N -1 0 349.390 2.415 50 10 EECARM CC(=O)N1CCC(c2[n-][nH]c(=O)c2N=Nc2ccc(F)cc2F)CC1 ZINC000100238925 463373327 /nfs/dbraw/zinc/37/33/27/463373327.db2.gz LHMJRAAQHHRNBB-APFMSCDFSA-N -1 0 349.341 2.161 50 10 EECARM COc1c(O)cccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000003624018 210068933 /nfs/dbraw/zinc/06/89/33/210068933.db2.gz QDGOAWGFXVZNTO-JXMROGBWSA-N -1 0 339.394 2.077 50 10 EECARM O=C([O-])CCC(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000080316109 217297471 /nfs/dbraw/zinc/29/74/71/217297471.db2.gz HEJNCGOKQQWAED-OAHLLOKOSA-N -1 0 339.351 2.330 50 10 EECARM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1O ZINC000013343672 211548209 /nfs/dbraw/zinc/54/82/09/211548209.db2.gz VTUUIQIIKSGVKF-WDZFZDKYSA-N -1 0 339.394 2.077 50 10 EECARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005374602 462657344 /nfs/dbraw/zinc/65/73/44/462657344.db2.gz PUGKHTARRSXMCQ-SBMLRHLQSA-N -1 0 342.467 2.422 50 10 EECARM Cn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000000969029 209696573 /nfs/dbraw/zinc/69/65/73/209696573.db2.gz ALNMHYLYLHNCQJ-WUXMJOGZSA-N -1 0 332.406 2.464 50 10 EECARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000008997129 211029560 /nfs/dbraw/zinc/02/95/60/211029560.db2.gz ZYUZFHHCUMSGSZ-GWQWUEFDSA-N -1 0 343.383 2.234 50 10 EECARM Cn1cccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000501960 302962413 /nfs/dbraw/zinc/96/24/13/302962413.db2.gz KKGKNGNNPFAZEY-LCYFTJDESA-N -1 0 329.743 2.345 50 10 EECARM CC(C)[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-] ZINC000000405965 462559508 /nfs/dbraw/zinc/55/95/08/462559508.db2.gz IGYSUTYZXHVBIC-OAHLLOKOSA-N -1 0 331.368 2.186 50 10 biogenic EECARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)[nH]c3C)C2=O)c1 ZINC000002993891 462609054 /nfs/dbraw/zinc/60/90/54/462609054.db2.gz GEJUDFPYBSLJDK-OVCLIPMQSA-N -1 0 339.351 2.307 50 10 EECARM CC(C)=C1C(=O)[N-]N(c2ccc(I)cc2)C1=O ZINC000000340240 275556366 /nfs/dbraw/zinc/55/63/66/275556366.db2.gz LLCIOUJCLOSCLQ-UHFFFAOYSA-N -1 0 342.136 2.005 50 10 EECARM CN1c2ccccc2S/C1=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000004645949 290321100 /nfs/dbraw/zinc/32/11/00/290321100.db2.gz RPTCCZCUFYQVQQ-BENRWUELSA-N -1 0 338.435 2.343 50 10 EECARM COC(=O)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1 ZINC000016292739 462973786 /nfs/dbraw/zinc/97/37/86/462973786.db2.gz CSGSYDAYMXOXCP-WJDWOHSUSA-N -1 0 336.347 2.243 50 10 EECARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000000223873 209495777 /nfs/dbraw/zinc/49/57/77/209495777.db2.gz VLXUWHMIEKXCHI-UHFFFAOYSA-N -1 0 348.409 2.451 50 10 EECARM COc1ccc(N2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)cc1 ZINC000000386723 462557992 /nfs/dbraw/zinc/55/79/92/462557992.db2.gz VIDJUKWDOWESGU-UHFFFAOYSA-N -1 0 340.379 2.356 50 10 EECARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1O ZINC000009319926 462801084 /nfs/dbraw/zinc/80/10/84/462801084.db2.gz MLXPNJIFQGKOFI-JLHYYAGUSA-N -1 0 338.319 2.067 50 10 EECARM COc1cccc(CNC(=O)c2c[n-]n3c2nc(C)c(Cl)c3=O)c1 ZINC000013144506 462885608 /nfs/dbraw/zinc/88/56/08/462885608.db2.gz AAGSCEHOESIMBW-UHFFFAOYSA-N -1 0 346.774 2.335 50 10 EECARM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cccc2nsnc21 ZINC000019079952 463014953 /nfs/dbraw/zinc/01/49/53/463014953.db2.gz DLPWUTKIJUHIPD-UHFFFAOYSA-N -1 0 331.382 2.368 50 10 EECARM CC(C)[C@@H](NC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1)C(=O)[O-] ZINC000006781998 279902111 /nfs/dbraw/zinc/90/21/11/279902111.db2.gz QNBSDFYEUIVQQI-XEVNVYFWSA-N -1 0 348.380 2.084 50 10 EECARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000002051854 462589371 /nfs/dbraw/zinc/58/93/71/462589371.db2.gz WWMMPLZQJYPDPO-UKTHLTGXSA-N -1 0 344.367 2.457 50 10 EECARM COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)c1 ZINC000015800019 462963610 /nfs/dbraw/zinc/96/36/10/462963610.db2.gz OEBSXQWKUXODDA-DHDCSXOGSA-N -1 0 339.351 2.061 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001800318 295801987 /nfs/dbraw/zinc/80/19/87/295801987.db2.gz BJZIYMCAAXFDER-LOBLAWFCSA-N -1 0 338.366 2.269 50 10 EECARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccn1 ZINC000017921246 135712704 /nfs/dbraw/zinc/71/27/04/135712704.db2.gz BLFPPTMMXUFKFI-XFXZXTDPSA-N -1 0 342.742 2.314 50 10 EECARM COc1cccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)c1O ZINC000013350195 462890866 /nfs/dbraw/zinc/89/08/66/462890866.db2.gz UGEFQNHZZUPLRB-YFHOEESVSA-N -1 0 339.394 2.077 50 10 EECARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1OC ZINC000016672117 462987806 /nfs/dbraw/zinc/98/78/06/462987806.db2.gz WZWUUHAONJZJER-GDNBJRDFSA-N -1 0 338.363 2.474 50 10 EECARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCCCC1 ZINC000001242288 1349876981 /nfs/dbraw/zinc/87/69/81/1349876981.db2.gz GOOCFIWLGILKEU-ZHACJKMWSA-N -1 0 332.335 2.123 50 10 EECARM COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c1O ZINC000005200416 210411968 /nfs/dbraw/zinc/41/19/68/210411968.db2.gz AYMSYETULLGRKD-GDNBJRDFSA-N -1 0 338.363 2.479 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3O)C2=O)cc1 ZINC000005544310 462661497 /nfs/dbraw/zinc/66/14/97/462661497.db2.gz WICJKGBRHXQFMW-ZSOIEALJSA-N -1 0 338.319 2.073 50 10 EECARM COc1ccc(OC)c(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)c1 ZINC000016672006 462987741 /nfs/dbraw/zinc/98/77/41/462987741.db2.gz DIMLDHOLGOTWHX-WJDWOHSUSA-N -1 0 338.363 2.474 50 10 EECARM O=C1[N-]C(=O)C(=CNc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1 ZINC000095482943 463093433 /nfs/dbraw/zinc/09/34/33/463093433.db2.gz PHWUBVRTIPGMQN-UHFFFAOYSA-N -1 0 333.653 2.021 50 10 EECARM CCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000019881430 212078646 /nfs/dbraw/zinc/07/86/46/212078646.db2.gz WLBVOQKNXZSZOL-UHFFFAOYSA-N -1 0 339.244 2.025 50 10 EECARM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1O ZINC000001237703 462578079 /nfs/dbraw/zinc/57/80/79/462578079.db2.gz QDLPDGYOWIZQAQ-YRNVUSSQSA-N -1 0 339.394 2.077 50 10 EECARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3N)C2=O)c1 ZINC000015800041 462963428 /nfs/dbraw/zinc/96/34/28/462963428.db2.gz SLKVYJMIYBBTTG-JLHYYAGUSA-N -1 0 336.351 2.156 50 10 EECARM COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)[O-] ZINC000004827232 210289213 /nfs/dbraw/zinc/28/92/13/210289213.db2.gz DVBJNSKWHSGTDK-BJMVGYQFSA-N -1 0 325.367 2.059 50 10 EECARM O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCCCC1 ZINC000000464980 258048554 /nfs/dbraw/zinc/04/85/54/258048554.db2.gz ICIHMJMRPYUALS-ACCUITESSA-N -1 0 347.802 2.288 50 10 EECARM CC(C)(C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CCC3)C1=O ZINC000013127435 462885402 /nfs/dbraw/zinc/88/54/02/462885402.db2.gz OFSXNKZHCUGWAS-UVTDQMKNSA-N -1 0 327.384 2.348 50 10 EECARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNC1CCCCC1 ZINC000006493936 296359445 /nfs/dbraw/zinc/35/94/45/296359445.db2.gz OFBXEZQHBYKPRE-ZRDIBKRKSA-N -1 0 347.415 2.380 50 10 EECARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O ZINC000584904436 468960587 /nfs/dbraw/zinc/96/05/87/468960587.db2.gz COYKIZQDXHBJLI-MCIONIFRSA-N -1 0 333.771 2.200 50 10 EECARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(C)cc3)C2=O)cc1 ZINC000000356529 462556229 /nfs/dbraw/zinc/55/62/29/462556229.db2.gz OTCIBDPKBRIZAJ-WJDWOHSUSA-N -1 0 336.347 2.243 50 10 EECARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cccs3)C2=O)cc1 ZINC000000440972 462563369 /nfs/dbraw/zinc/56/33/69/462563369.db2.gz LACNJSXDFNCSPX-NTEUORMPSA-N -1 0 342.376 2.419 50 10 EECARM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000004682270 462635797 /nfs/dbraw/zinc/63/57/97/462635797.db2.gz MYKBTMUFDNYMCJ-RIYZIHGNSA-N -1 0 332.319 2.229 50 10 EECARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000000120227 209434341 /nfs/dbraw/zinc/43/43/41/209434341.db2.gz VULLEXVJTFLALE-GDNBJRDFSA-N -1 0 339.351 2.008 50 10 EECARM CN(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000012524355 211397952 /nfs/dbraw/zinc/39/79/52/211397952.db2.gz GKOFEHBEXPYGCD-XFXZXTDPSA-N -1 0 336.438 2.429 50 10 EECARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCCCC1 ZINC000009008082 462796893 /nfs/dbraw/zinc/79/68/93/462796893.db2.gz GOOCFIWLGILKEU-KHPPLWFESA-N -1 0 332.335 2.123 50 10 EECARM CC(C)CCCNC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000019595364 212049962 /nfs/dbraw/zinc/04/99/62/212049962.db2.gz DAYWADLVKHMBEF-PTNGSMBKSA-N -1 0 329.400 2.175 50 10 EECARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000000440980 280753432 /nfs/dbraw/zinc/75/34/32/280753432.db2.gz QUYBMJHCUBNSFC-ZSOIEALJSA-N -1 0 328.299 2.389 50 10 EECARM Nc1ccc(NC(=O)c2nc[n-]c2C(=O)Nc2ccc(N)cc2)cc1 ZINC000000245012 462551224 /nfs/dbraw/zinc/55/12/24/462551224.db2.gz ZJHCRZGGQCVLIQ-UHFFFAOYSA-N -1 0 336.355 2.079 50 10 EECARM CC1=C(C)C[C@@H]2C(=O)N([C@@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@@H]2C1 ZINC000012367879 462851169 /nfs/dbraw/zinc/85/11/69/462851169.db2.gz MQXORJFACIBWPO-XHSDSOJGSA-N -1 0 327.380 2.414 50 10 EECARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cn1 ZINC000109852514 463651645 /nfs/dbraw/zinc/65/16/45/463651645.db2.gz KCHBAZUGYPWZCD-FMIVXFBMSA-N -1 0 342.742 2.314 50 10 EECARM Cc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000003465629 210048349 /nfs/dbraw/zinc/04/83/49/210048349.db2.gz CGCFKTJYXARETF-UHFFFAOYSA-N -1 0 329.743 2.189 50 10 EECARM CCOC(=O)c1cnc2c(N=Nc3ccccc3)c(=O)[n-]n2c1N ZINC000103645823 219318585 /nfs/dbraw/zinc/31/85/85/219318585.db2.gz KSHLUETWEMGJNT-VHEBQXMUSA-N -1 0 326.316 2.197 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000005986253 210572081 /nfs/dbraw/zinc/57/20/81/210572081.db2.gz YBWZOAXZFIUWRW-SJORKVTESA-N -1 0 346.427 2.235 50 10 EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1 ZINC000000446701 462563849 /nfs/dbraw/zinc/56/38/49/462563849.db2.gz NGGSZFXQMXVZNY-XNTDXEJSSA-N -1 0 338.319 2.067 50 10 EECARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002368789 462593053 /nfs/dbraw/zinc/59/30/53/462593053.db2.gz KNQJSOWUGKTNBV-OQLLNIDSSA-N -1 0 341.342 2.325 50 10 EECARM Cc1ccc(COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1 ZINC000002959160 462608000 /nfs/dbraw/zinc/60/80/00/462608000.db2.gz UWSBGMMDUVDJTI-UHFFFAOYSA-N -1 0 336.347 2.323 50 10 EECARM O=C([O-])C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000005483408 462661116 /nfs/dbraw/zinc/66/11/16/462661116.db2.gz YTKOIUWKZQYWNX-JYRVWZFOSA-N -1 0 336.303 2.286 50 10 EECARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000005650172 462666219 /nfs/dbraw/zinc/66/62/19/462666219.db2.gz BQSQMAWQPKRTPU-UVTDQMKNSA-N -1 0 325.299 2.405 50 10 EECARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccsc1 ZINC000008743431 462795071 /nfs/dbraw/zinc/79/50/71/462795071.db2.gz UXEMWWLGENCQBI-VZUCSPMQSA-N -1 0 342.332 2.348 50 10 EECARM O=C([O-])/C=C\C(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000080316134 1367215549 /nfs/dbraw/zinc/21/55/49/1367215549.db2.gz RQBUPGGSAPKHHS-LZNQSLFOSA-N -1 0 337.335 2.106 50 10 EECARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2nccs2)C1=O ZINC000013122971 135699747 /nfs/dbraw/zinc/69/97/47/135699747.db2.gz FKFKQLFVVNPGGB-CSKARUKUSA-N -1 0 328.353 2.030 50 10 EECARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)cc1 ZINC000000450310 462563502 /nfs/dbraw/zinc/56/35/02/462563502.db2.gz AJUVLDCYLGGLFU-GXDHUFHOSA-N -1 0 325.324 2.080 50 10 EECARM O=C([O-])CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000004704737 210255256 /nfs/dbraw/zinc/25/52/56/210255256.db2.gz SEWXAAVIFNADES-LCYFTJDESA-N -1 0 332.381 2.408 50 10 EECARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(O)c1 ZINC000101469855 219128363 /nfs/dbraw/zinc/12/83/63/219128363.db2.gz UXXOUFNYSOXSGQ-FZFLATATSA-N -1 0 337.339 2.341 50 10 EECARM CCCCNC=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000019595340 282793724 /nfs/dbraw/zinc/79/37/24/282793724.db2.gz CRTRUPBDMZOZEY-UVTDQMKNSA-N -1 0 329.400 2.468 50 10 EECARM COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)ccc1O ZINC000001191577 462578188 /nfs/dbraw/zinc/57/81/88/462578188.db2.gz BGCHLBDCPGTQDO-KLDHPSGWSA-N -1 0 339.394 2.075 50 10 EECARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1 ZINC000005247657 462652012 /nfs/dbraw/zinc/65/20/12/462652012.db2.gz DCUHDHUBJICJRS-UVTDQMKNSA-N -1 0 326.308 2.345 50 10 EECARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccccc1F ZINC000016268658 462972352 /nfs/dbraw/zinc/97/23/52/462972352.db2.gz FILNUXTXFPOAGU-UKTHLTGXSA-N -1 0 341.342 2.325 50 10 EECARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C/C=C\c3ccco3)C2=O)cc1 ZINC000033308077 463421525 /nfs/dbraw/zinc/42/15/25/463421525.db2.gz KFUFNFCWFZEVJE-CUSJKNFXSA-N -1 0 338.319 2.084 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000001737020 462586254 /nfs/dbraw/zinc/58/62/54/462586254.db2.gz DTJBOBKXKKSBDK-YFHOEESVSA-N -1 0 338.366 2.271 50 10 EECARM COC(=O)Cn1cc(C=C2SC(=S)NC2=O)c2ccccc21 ZINC000002301356 462591320 /nfs/dbraw/zinc/59/13/20/462591320.db2.gz PYRGNIQQCRSABI-WUXMJOGZSA-N -1 0 332.406 2.303 50 10 EECARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)ccc1O ZINC000016195983 462971095 /nfs/dbraw/zinc/97/10/95/462971095.db2.gz LNFGTEDAYJSQSC-LCYFTJDESA-N -1 0 344.367 2.195 50 10 EECARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCC(C)C)C1=O ZINC000002831560 678319032 /nfs/dbraw/zinc/31/90/32/678319032.db2.gz FOTBERYWSYYGNJ-KAMYIIQDSA-N -1 0 329.400 2.488 50 10 EECARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000032287542 276881412 /nfs/dbraw/zinc/88/14/12/276881412.db2.gz VULLEXVJTFLALE-XNTDXEJSSA-N -1 0 339.351 2.008 50 10 EECARM Cc1ccccc1N1C(=O)C(=CNN2CCCCC2)C(=O)[N-]C1=S ZINC000034210481 1352388559 /nfs/dbraw/zinc/38/85/59/1352388559.db2.gz GRIYSBQJJCIHRE-ACCUITESSA-N -1 0 344.440 2.457 50 10 EECARM COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc(F)cc2)cc1 ZINC000034926455 212999484 /nfs/dbraw/zinc/99/94/84/212999484.db2.gz RVFXGUQNYNNKPH-UHFFFAOYSA-N -1 0 346.358 2.042 50 10 EECARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNN1CCCCC1 ZINC000033930101 296312311 /nfs/dbraw/zinc/31/23/11/296312311.db2.gz FRBSCEFIRZGSDK-ZHACJKMWSA-N -1 0 348.403 2.288 50 10 EECARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc[nH]1 ZINC000100402616 284865830 /nfs/dbraw/zinc/86/58/30/284865830.db2.gz RRKQGAUZSZJACE-WQLSENKSSA-N -1 0 331.784 2.499 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000006007841 298215821 /nfs/dbraw/zinc/21/58/21/298215821.db2.gz BJZIYMCAAXFDER-VSUWBIFXSA-N -1 0 338.366 2.269 50 10 EECARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)c1 ZINC000000087088 462541624 /nfs/dbraw/zinc/54/16/24/462541624.db2.gz XVSAPFYEBZESDQ-NTUHNPAUSA-N -1 0 328.349 2.423 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2F)C(=O)N1 ZINC000002850089 462605027 /nfs/dbraw/zinc/60/50/27/462605027.db2.gz YUDBYKOLOSODGY-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000013320365 462889306 /nfs/dbraw/zinc/88/93/06/462889306.db2.gz FQAYDHPDMYDPHX-SJORKVTESA-N -1 0 344.411 2.011 50 10 EECARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O ZINC000004949856 210337218 /nfs/dbraw/zinc/33/72/18/210337218.db2.gz JWIBTGBLLRBMJA-BENRWUELSA-N -1 0 326.308 2.345 50 10 EECARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000000331689 201461425 /nfs/dbraw/zinc/46/14/25/201461425.db2.gz OEWOTYTVUXBDPL-AWNIVKPZSA-N -1 0 325.324 2.003 50 10 EECARM O=C([O-])COc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 ZINC000013626873 207521982 /nfs/dbraw/zinc/52/19/82/207521982.db2.gz XLNZQOGCZVWLHA-UKTHLTGXSA-N -1 0 332.381 2.216 50 10 EECARM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1Cl ZINC000015013035 276367682 /nfs/dbraw/zinc/36/76/82/276367682.db2.gz JUUZWTHRHMQKCL-XBXARRHUSA-N -1 0 343.166 2.484 50 10 EECARM COc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c([N+](=O)[O-])c1 ZINC000004005542 295156226 /nfs/dbraw/zinc/15/62/26/295156226.db2.gz OWDSCKCOQPCTGM-UHFFFAOYSA-N -1 0 342.263 2.102 50 10 EECARM CN(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000001297893 462579165 /nfs/dbraw/zinc/57/91/65/462579165.db2.gz GKOFEHBEXPYGCD-FMIVXFBMSA-N -1 0 336.438 2.429 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002225042 462591269 /nfs/dbraw/zinc/59/12/69/462591269.db2.gz QDWGUMMVADLWCN-YFHOEESVSA-N -1 0 333.394 2.239 50 10 EECARM Cc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000002990567 462609208 /nfs/dbraw/zinc/60/92/08/462609208.db2.gz YIDAKUWAIWTHFL-BJMVGYQFSA-N -1 0 338.366 2.189 50 10 EECARM CCOc1cccc(C=C2SC(=S)NC2=O)c1OCC(=O)[O-] ZINC000004739741 462636720 /nfs/dbraw/zinc/63/67/20/462636720.db2.gz CEJTVIDJQMSABX-UXBLZVDNSA-N -1 0 339.394 2.038 50 10 EECARM CCCCCCNC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000019595368 202014913 /nfs/dbraw/zinc/01/49/13/202014913.db2.gz QFUXDZHHEVMAFP-QINSGFPZSA-N -1 0 329.400 2.319 50 10 EECARM CC[C@@H](C)NC=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000019595358 286777513 /nfs/dbraw/zinc/77/75/13/286777513.db2.gz BXWGZNIGPVJOMR-CKXDQPNJSA-N -1 0 329.400 2.467 50 10 EECARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1O ZINC000033309460 463421443 /nfs/dbraw/zinc/42/14/43/463421443.db2.gz HBTIKVXUDNJXNP-JYRVWZFOSA-N -1 0 328.299 2.001 50 10 EECARM CCCN1C(=O)C(=CN[C@H](C)CCc2ccccc2)C(=O)NC1=S ZINC000006907429 1205551134 /nfs/dbraw/zinc/55/11/34/1205551134.db2.gz SVHQXYJBWWRQGC-DKXRRRNBSA-N -1 0 345.468 2.135 50 10 EECARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)cc1 ZINC000000519976 462568074 /nfs/dbraw/zinc/56/80/74/462568074.db2.gz GREFSOCIZDYYGB-RVDMUPIBSA-N -1 0 339.351 2.090 50 10 EECARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccs2)C1=O ZINC000004949862 462642773 /nfs/dbraw/zinc/64/27/73/462642773.db2.gz VIBLEBLZTXFQLD-LUAWRHEFSA-N -1 0 328.349 2.423 50 10 EECARM CC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000006074079 462675807 /nfs/dbraw/zinc/67/58/07/462675807.db2.gz ZIZRWWFMJRHEFJ-LFIBNONCSA-N -1 0 349.346 2.468 50 10 EECARM O=C1N=C([N-]S(=O)(=O)Cc2ccccc2)S/C1=C/c1ccco1 ZINC000005684271 205774931 /nfs/dbraw/zinc/77/49/31/205774931.db2.gz HJSNMHSIGOWCEJ-UKTHLTGXSA-N -1 0 348.405 2.370 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001737015 462586023 /nfs/dbraw/zinc/58/60/23/462586023.db2.gz BGFDDSLQPRDLDE-YFHOEESVSA-N -1 0 338.366 2.271 50 10 EECARM COc1cccc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)c1 ZINC000000441028 1219396201 /nfs/dbraw/zinc/39/62/01/1219396201.db2.gz SRUYYVMPFOEIBZ-NTUHNPAUSA-N -1 0 328.349 2.120 50 10 EECARM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1O ZINC000032912535 202241502 /nfs/dbraw/zinc/24/15/02/202241502.db2.gz XWVGILWXNSEOAA-UHFFFAOYSA-N -1 0 342.323 2.430 50 10 EECARM CC(C)[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-] ZINC000004001403 280327470 /nfs/dbraw/zinc/32/74/70/280327470.db2.gz IGYSUTYZXHVBIC-HNNXBMFYSA-N -1 0 331.368 2.186 50 10 biogenic EECARM O=C([O-])CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000001776537 462586591 /nfs/dbraw/zinc/58/65/91/462586591.db2.gz VCZLMXPUUYHQPB-YFHOEESVSA-N -1 0 338.366 2.271 50 10 EECARM C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)ccc2O1 ZINC000002358325 462592676 /nfs/dbraw/zinc/59/26/76/462592676.db2.gz WYJABGHIMMJYBZ-OPYOOOJUSA-N -1 0 335.406 2.296 50 10 EECARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC1CCCC1 ZINC000006487822 462686812 /nfs/dbraw/zinc/68/68/12/462686812.db2.gz DRYRHCQZNDPIGV-UHFFFAOYSA-N -1 0 344.367 2.156 50 10 EECARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O ZINC000038160027 202399928 /nfs/dbraw/zinc/39/99/28/202399928.db2.gz CNUMNJCGQABUAA-CVTQAYBASA-N -1 0 337.339 2.341 50 10 EECARM COc1cc(C=C2SC(=S)NC2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000004545771 462634150 /nfs/dbraw/zinc/63/41/50/462634150.db2.gz IHSVFQZGZMLTBE-KEXZDQNZSA-N -1 0 339.394 2.036 50 10 EECARM CC(C)c1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)NC3=O)sc2c1 ZINC000013999596 462907194 /nfs/dbraw/zinc/90/71/94/462907194.db2.gz DDKKHPCUVCVXIL-UHFFFAOYSA-N -1 0 330.369 2.082 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000001221126 462577749 /nfs/dbraw/zinc/57/77/49/462577749.db2.gz XGTGMKYGVNHPTC-ZPBHHCQCSA-N -1 0 336.438 2.427 50 10 in-vitro EECARM COc1ccc2c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c[nH]c2c1 ZINC000006660304 462694945 /nfs/dbraw/zinc/69/49/45/462694945.db2.gz IFIFXCWOZTXOEL-QCDXTXTGSA-N -1 0 348.405 2.462 50 10 EECARM Nc1[n-]n2c(nc3c(c2=O)CCC3)c1N=Nc1ccc2c(c1)OCO2 ZINC000004649606 462634973 /nfs/dbraw/zinc/63/49/73/462634973.db2.gz RWHTXSZSHSOTDS-FMQUCBEESA-N -1 0 338.327 2.238 50 10 EECARM O=C([O-])CN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000006813959 462707289 /nfs/dbraw/zinc/70/72/89/462707289.db2.gz NPIVARITTNJXQH-WDZFZDKYSA-N -1 0 345.405 2.363 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000027533774 298215936 /nfs/dbraw/zinc/21/59/36/298215936.db2.gz URGYPHLVESNBRH-VSUWBIFXSA-N -1 0 333.394 2.237 50 10 EECARM COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1OC ZINC000000414675 462560024 /nfs/dbraw/zinc/56/00/24/462560024.db2.gz CMVQSIBNVXKEAY-UHFFFAOYSA-N -1 0 335.341 2.041 50 10 EECARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)c1 ZINC000003901092 462626041 /nfs/dbraw/zinc/62/60/41/462626041.db2.gz MOGHRCWNYBTQDE-NTEUORMPSA-N -1 0 326.308 2.263 50 10 EECARM CCOC(=O)c1cnc2c(N=Nc3ccccc3F)c(=O)[n-]n2c1N ZINC000004666062 210241381 /nfs/dbraw/zinc/24/13/81/210241381.db2.gz KNFNMYGEJAIWDH-FMQUCBEESA-N -1 0 344.306 2.336 50 10 EECARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccccc3F)c2)C(=O)N1 ZINC000003669874 210072049 /nfs/dbraw/zinc/07/20/49/210072049.db2.gz UQQXGYGLADGICF-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNN1CCCCC1 ZINC000019998128 296312826 /nfs/dbraw/zinc/31/28/26/296312826.db2.gz FRBSCEFIRZGSDK-KHPPLWFESA-N -1 0 348.403 2.288 50 10 EECARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccccc1C ZINC000015012549 280291846 /nfs/dbraw/zinc/29/18/46/280291846.db2.gz GOFDOJQXDKQOJS-XNTDXEJSSA-N -1 0 337.379 2.494 50 10 EECARM CC(C)[C@H](NC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1)C(=O)[O-] ZINC000006781967 280320958 /nfs/dbraw/zinc/32/09/58/280320958.db2.gz QNBSDFYEUIVQQI-UWUHSAQLSA-N -1 0 348.380 2.084 50 10 EECARM Cc1cc(O)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000002028283 462589349 /nfs/dbraw/zinc/58/93/49/462589349.db2.gz NIKKUWIIAIWTQZ-UVTDQMKNSA-N -1 0 337.335 2.279 50 10 EECARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000013464101 462893020 /nfs/dbraw/zinc/89/30/20/462893020.db2.gz JJPKEHPYQIBBPH-UHFFFAOYSA-N -1 0 335.337 2.094 50 10 EECARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(O)c2)C1=O ZINC000005394616 810490096 /nfs/dbraw/zinc/49/00/96/810490096.db2.gz PMFYCMRPPGXKRG-UVTDQMKNSA-N -1 0 337.335 2.279 50 10 EECARM COc1ccc2c3ccc(OCc4nnn[n-]4)c(C)c3oc(=O)c2c1 ZINC000006130613 258051736 /nfs/dbraw/zinc/05/17/36/258051736.db2.gz WYOWKCUEINQTER-UHFFFAOYSA-N -1 0 338.323 2.355 50 10 EECARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000017196787 296357377 /nfs/dbraw/zinc/35/73/77/296357377.db2.gz BMFSZMGNKZRKEB-UVTDQMKNSA-N -1 0 343.339 2.389 50 10 EECARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000015010463 278620050 /nfs/dbraw/zinc/62/00/50/278620050.db2.gz NWAYTNUYCCYKRC-MHWRWJLKSA-N -1 0 337.379 2.494 50 10 EECARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1O ZINC000000484858 462566471 /nfs/dbraw/zinc/56/64/71/462566471.db2.gz NDHNSVODXUTNDC-LCYFTJDESA-N -1 0 338.319 2.067 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(O)c3)C2=O)cc1 ZINC000006088249 462677624 /nfs/dbraw/zinc/67/76/24/462677624.db2.gz TYRJGQJMOGLOCP-GDNBJRDFSA-N -1 0 337.335 2.279 50 10 EECARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cn1 ZINC000008381729 462782118 /nfs/dbraw/zinc/78/21/18/462782118.db2.gz KCHBAZUGYPWZCD-XFXZXTDPSA-N -1 0 342.742 2.314 50 10 EECARM CN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])SC1=S ZINC000008935109 462796528 /nfs/dbraw/zinc/79/65/28/462796528.db2.gz IZDAIOSNLZTAEN-FPYGCLRLSA-N -1 0 341.326 2.040 50 10 EECARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNN1CCCCC1 ZINC000017159830 462995985 /nfs/dbraw/zinc/99/59/85/462995985.db2.gz MJDHOWJDJCLESZ-QBFSEMIESA-N -1 0 330.413 2.149 50 10 EECARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000017905967 463003295 /nfs/dbraw/zinc/00/32/95/463003295.db2.gz UEGRRUKVTLJLJU-UHFFFAOYSA-N -1 0 339.307 2.072 50 10 EECARM COc1ccc(N(CC(=O)[O-])CC(=O)NCC2CCCCC2)cc1 ZINC000034926471 213001270 /nfs/dbraw/zinc/00/12/70/213001270.db2.gz RRTBQASHSMHCEC-UHFFFAOYSA-N -1 0 334.416 2.283 50 10 EECARM Cc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000013343776 462890601 /nfs/dbraw/zinc/89/06/01/462890601.db2.gz YIDAKUWAIWTHFL-YHYXMXQVSA-N -1 0 338.366 2.189 50 10 EECARM CCCCN1C(=O)[N-]C(=O)/C(=C\c2cnn(-c3ccccc3)c2)C1=O ZINC000002840191 678339170 /nfs/dbraw/zinc/33/91/70/678339170.db2.gz AWUNHZMEVCZONC-XNTDXEJSSA-N -1 0 338.367 2.134 50 10 EECARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccsc1 ZINC000004473050 210197380 /nfs/dbraw/zinc/19/73/80/210197380.db2.gz UXEMWWLGENCQBI-WZUFQYTHSA-N -1 0 342.332 2.143 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001737013 209789032 /nfs/dbraw/zinc/78/90/32/209789032.db2.gz BGFDDSLQPRDLDE-JXMROGBWSA-N -1 0 338.366 2.271 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001800321 298215540 /nfs/dbraw/zinc/21/55/40/298215540.db2.gz BJZIYMCAAXFDER-LWYMYGMPSA-N -1 0 338.366 2.269 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000001800316 298215973 /nfs/dbraw/zinc/21/59/73/298215973.db2.gz VMOGNRHIPUOQQA-LWYMYGMPSA-N -1 0 338.366 2.269 50 10 EECARM CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc1Cl ZINC000000441239 462563295 /nfs/dbraw/zinc/56/32/95/462563295.db2.gz JUUZWTHRHMQKCL-YWEYNIOJSA-N -1 0 343.166 2.484 50 10 EECARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000002302004 462591533 /nfs/dbraw/zinc/59/15/33/462591533.db2.gz COGXBXSIAWPCCA-ZSOIEALJSA-N -1 0 339.351 2.281 50 10 EECARM COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(C)C2=O)c1[O-] ZINC000013550602 462895117 /nfs/dbraw/zinc/89/51/17/462895117.db2.gz QIICDIGTGQJREZ-RUDMXATFSA-N -1 0 326.355 2.140 50 10 EECARM CCC[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-] ZINC000005235521 283562693 /nfs/dbraw/zinc/56/26/93/283562693.db2.gz QNNICIJEJNAHJC-CQSZACIVSA-N -1 0 331.368 2.330 50 10 EECARM C[C@@H]1CCCN(c2ccc(CNC(=O)c3[nH]cnc3C(=O)[O-])cc2)C1 ZINC000215006325 241099208 /nfs/dbraw/zinc/09/92/08/241099208.db2.gz YAONHQRXUTUKMZ-GFCCVEGCSA-N -1 0 342.399 2.274 50 10 EECARM CC(=O)Oc1cccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)c1 ZINC000027549151 463195096 /nfs/dbraw/zinc/19/50/96/463195096.db2.gz XOJFQHOIOPWCDC-BOPFTXTBSA-N -1 0 336.347 2.382 50 10 EECARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000106018 462542501 /nfs/dbraw/zinc/54/25/01/462542501.db2.gz MPIQDTSPNRYJRV-NTEUORMPSA-N -1 0 327.271 2.195 50 10 EECARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000012275856 211332906 /nfs/dbraw/zinc/33/29/06/211332906.db2.gz RAGLNOYYHRUCBP-SOLLPLKKSA-N -1 0 340.206 2.363 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000006007544 462674451 /nfs/dbraw/zinc/67/44/51/462674451.db2.gz BJZIYMCAAXFDER-FSEMZKDTSA-N -1 0 338.366 2.269 50 10 EECARM COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3cc(O)c(O)cc32)cc1C ZINC000006681945 778788319 /nfs/dbraw/zinc/78/83/19/778788319.db2.gz GJTWMLKOWMTELQ-DYVFJYSZSA-N -1 0 329.352 2.103 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000004976549 298215993 /nfs/dbraw/zinc/21/59/93/298215993.db2.gz BTFIEFMNLFOOJG-IGCGCMMHSA-N -1 0 337.378 2.090 50 10 EECARM COc1cccc(C=C2SC(=S)NC2=O)c1O[C@@H](C)C(=O)[O-] ZINC000004743069 210265321 /nfs/dbraw/zinc/26/53/21/210265321.db2.gz VWVXQRUYGJIVDR-FSEMZKDTSA-N -1 0 339.394 2.036 50 10 EECARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1ccco1 ZINC000008743296 284855946 /nfs/dbraw/zinc/85/59/46/284855946.db2.gz RVOZFJAPMHWAMU-UVTDQMKNSA-N -1 0 328.299 2.328 50 10 EECARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000002213324 462591779 /nfs/dbraw/zinc/59/17/79/462591779.db2.gz QOGBMQGYYSHBGT-RIYZIHGNSA-N -1 0 335.319 2.423 50 10 EECARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(F)cc3)c2)C(=O)N1 ZINC000002844677 462605311 /nfs/dbraw/zinc/60/53/11/462605311.db2.gz CMZRYOXTVCHQDL-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000015723083 462961035 /nfs/dbraw/zinc/96/10/35/462961035.db2.gz KNQJSOWUGKTNBV-DHDCSXOGSA-N -1 0 341.342 2.325 50 10 EECARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2C)C1=O ZINC000000507812 462567373 /nfs/dbraw/zinc/56/73/73/462567373.db2.gz AZCFJFTVJVXBGB-ACCUITESSA-N -1 0 339.351 2.090 50 10 EECARM CCN(Cc1ccccc1)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000003240253 462613351 /nfs/dbraw/zinc/61/33/51/462613351.db2.gz CWXHJTFMUGCQNO-UHFFFAOYSA-N -1 0 349.390 2.463 50 10 EECARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000004704225 210253308 /nfs/dbraw/zinc/25/33/08/210253308.db2.gz VTLXBGQLAVWEKU-UHFFFAOYSA-N -1 0 337.379 2.460 50 10 EECARM COc1cc(C=C2SC(=S)NC2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000004545772 210219030 /nfs/dbraw/zinc/21/90/30/210219030.db2.gz IHSVFQZGZMLTBE-PKTIUJEHSA-N -1 0 339.394 2.036 50 10 EECARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc[nH]2)C1=O ZINC000000092039 462541964 /nfs/dbraw/zinc/54/19/64/462541964.db2.gz LOTFTNNSSQDDTR-ZRDIBKRKSA-N -1 0 325.324 2.080 50 10 EECARM O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)N1 ZINC000004117252 462628176 /nfs/dbraw/zinc/62/81/76/462628176.db2.gz BDYWDEUONROLQW-UHFFFAOYSA-N -1 0 344.327 2.175 50 10 EECARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3ccsc3)C2=O)cc1 ZINC000006941528 1205553613 /nfs/dbraw/zinc/55/36/13/1205553613.db2.gz WJJQQEHKPQNAEV-ZSOIEALJSA-N -1 0 342.376 2.419 50 10 EECARM CN(C)/N=N/c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2)cc1 ZINC000100087512 219090540 /nfs/dbraw/zinc/09/05/40/219090540.db2.gz LMLZGNQHARVGDI-HTXNQAPBSA-N -1 0 346.412 2.295 50 10 EECARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(O)c(OC)c2)C1=O ZINC000002837430 209925684 /nfs/dbraw/zinc/92/56/84/209925684.db2.gz ZDZHXRLTHCDWOG-JLHYYAGUSA-N -1 0 346.383 2.443 50 10 EECARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000014257115 462923080 /nfs/dbraw/zinc/92/30/80/462923080.db2.gz KZWHWGYZJJLFCR-UHFFFAOYSA-N -1 0 349.393 2.279 50 10 EECARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCc1ccccc1 ZINC000019593490 463019657 /nfs/dbraw/zinc/01/96/57/463019657.db2.gz HWWUIOJENBYBKM-QINSGFPZSA-N -1 0 337.404 2.108 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000005447355 810597635 /nfs/dbraw/zinc/59/76/35/810597635.db2.gz XGTGMKYGVNHPTC-YXYQAXARSA-N -1 0 336.438 2.427 50 10 EECARM CC1=C(C)C[C@@H]2C(=O)N([C@@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 ZINC000004371671 281663601 /nfs/dbraw/zinc/66/36/01/281663601.db2.gz MQXORJFACIBWPO-JYJNAYRXSA-N -1 0 327.380 2.414 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000000967069 298215532 /nfs/dbraw/zinc/21/55/32/298215532.db2.gz BTFIEFMNLFOOJG-VWJVTLSUSA-N -1 0 337.378 2.090 50 10 EECARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000002290047 304656866 /nfs/dbraw/zinc/65/68/66/304656866.db2.gz XEDQILXXHYOZEF-NTEUORMPSA-N -1 0 326.283 2.198 50 10 EECARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccccc1C ZINC000000453759 462563548 /nfs/dbraw/zinc/56/35/48/462563548.db2.gz GOFDOJQXDKQOJS-GDNBJRDFSA-N -1 0 337.379 2.494 50 10 EECARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000005345253 210443756 /nfs/dbraw/zinc/44/37/56/210443756.db2.gz RUZVIOGOYHJKDT-KIFNTFBYSA-N -1 0 339.394 2.162 50 10 EECARM CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)[O-] ZINC000002121655 462590476 /nfs/dbraw/zinc/59/04/76/462590476.db2.gz GCXGVMATVUEQDV-IZZDOVSWSA-N -1 0 339.394 2.038 50 10 EECARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1C ZINC000000453987 1219416515 /nfs/dbraw/zinc/41/65/15/1219416515.db2.gz RWICPLCUBBCTFF-GDNBJRDFSA-N -1 0 329.400 2.436 50 10 EECARM CSC1=NSC2=NC(=O)/C(=C\c3ccc(C(=O)[O-])cc3)C(=N)N12 ZINC000020114616 463024564 /nfs/dbraw/zinc/02/45/64/463024564.db2.gz KXEJSKHSRRGMHS-KUHKOJGPSA-N -1 0 346.393 2.324 50 10 EECARM CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000002883650 276367569 /nfs/dbraw/zinc/36/75/69/276367569.db2.gz XXJURHRFBTTXAL-UHFFFAOYSA-N -1 0 329.139 2.142 50 10 EECARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000106022 462542251 /nfs/dbraw/zinc/54/22/51/462542251.db2.gz MPIQDTSPNRYJRV-ZROIWOOFSA-N -1 0 327.271 2.195 50 10 EECARM O=C([O-])CCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001297909 462578752 /nfs/dbraw/zinc/57/87/52/462578752.db2.gz TYYBYKAPSQRLHA-QXMHVHEDSA-N -1 0 348.405 2.075 50 10 EECARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(O)c3)C2=O)c1 ZINC000005337755 462655627 /nfs/dbraw/zinc/65/56/27/462655627.db2.gz RCAYMJYFJOFBHK-GDNBJRDFSA-N -1 0 337.335 2.279 50 10 EECARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O ZINC000101469888 219127873 /nfs/dbraw/zinc/12/78/73/219127873.db2.gz CNUMNJCGQABUAA-FZFLATATSA-N -1 0 337.339 2.341 50 10 EECARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000008997130 282279839 /nfs/dbraw/zinc/27/98/39/282279839.db2.gz ZYUZFHHCUMSGSZ-MFYHJKBNSA-N -1 0 343.383 2.234 50 10 EECARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(O)cc1 ZINC000038261842 213206432 /nfs/dbraw/zinc/20/64/32/213206432.db2.gz QBOYSRYBIKIHOZ-CVTQAYBASA-N -1 0 337.339 2.341 50 10 EECARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)cc1 ZINC000013553137 462895914 /nfs/dbraw/zinc/89/59/14/462895914.db2.gz GREFSOCIZDYYGB-PTNGSMBKSA-N -1 0 339.351 2.295 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1 ZINC000017112232 462995626 /nfs/dbraw/zinc/99/56/26/462995626.db2.gz XQNRAQXFEPZQCH-UHFFFAOYSA-N -1 0 327.252 2.445 50 10 EECARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000006250471 210606893 /nfs/dbraw/zinc/60/68/93/210606893.db2.gz LMLHVLCRWADVJN-MRVPVSSYSA-N -1 0 325.386 2.463 50 10 EECARM Cc1ccc(N2C(=O)/C(=C\c3cccn3C)C(=O)[N-]C2=S)cc1 ZINC000004823021 301621947 /nfs/dbraw/zinc/62/19/47/301621947.db2.gz ZVPPWSKNOPHNQR-UVTDQMKNSA-N -1 0 325.393 2.165 50 10 EECARM CC[C@H](C)NC=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000019595359 287594998 /nfs/dbraw/zinc/59/49/98/287594998.db2.gz BXWGZNIGPVJOMR-GFAPJHNFSA-N -1 0 329.400 2.467 50 10 EECARM CC[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000000044490 288050691 /nfs/dbraw/zinc/05/06/91/288050691.db2.gz PKGPMKGQIZBWIX-AWEZNQCLSA-N -1 0 331.368 2.330 50 10 EECARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cccs3)C2=O)cc1 ZINC000005474383 462660783 /nfs/dbraw/zinc/66/07/83/462660783.db2.gz YEXBVCKKJUGVRS-UVTDQMKNSA-N -1 0 342.376 2.386 50 10 EECARM O=C1[N-]C(=O)N(Cc2cccs2)C(=O)C1=CNCc1cccs1 ZINC000020119728 202032819 /nfs/dbraw/zinc/03/28/19/202032819.db2.gz BRDFEEBDYOTATR-WQLSENKSSA-N -1 0 347.421 2.062 50 10 EECARM O=C(Cc1ccccc1)c1ccc([O-])c(CN2CCOCC2)c1O ZINC000023135364 201372802 /nfs/dbraw/zinc/37/28/02/201372802.db2.gz PAFNQCWVPVHHLI-UHFFFAOYSA-N -1 0 327.380 2.355 50 10 EECARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000192630 277867920 /nfs/dbraw/zinc/86/79/20/277867920.db2.gz AGZPIAFUAOPTCR-WJDWOHSUSA-N -1 0 336.347 2.357 50 10 EECARM COc1ccc(OC)c(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)c1 ZINC000000440073 462563183 /nfs/dbraw/zinc/56/31/83/462563183.db2.gz DIMLDHOLGOTWHX-LFIBNONCSA-N -1 0 338.363 2.474 50 10 EECARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNC1CCCCC1 ZINC000104801390 463424585 /nfs/dbraw/zinc/42/45/85/463424585.db2.gz OFBXEZQHBYKPRE-BENRWUELSA-N -1 0 347.415 2.380 50 10 EECARM COc1cccc(C=C2SC(=S)NC2=O)c1O[C@H](C)C(=O)[O-] ZINC000004743072 462636487 /nfs/dbraw/zinc/63/64/87/462636487.db2.gz VWVXQRUYGJIVDR-VSUWBIFXSA-N -1 0 339.394 2.036 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1 ZINC000005043721 462643665 /nfs/dbraw/zinc/64/36/65/462643665.db2.gz JGGGIVYBGMGZLU-JYRVWZFOSA-N -1 0 338.319 2.073 50 10 EECARM COc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1OC ZINC000005175343 462648349 /nfs/dbraw/zinc/64/83/49/462648349.db2.gz RYRVCMJKKDICIO-UHFFFAOYSA-N -1 0 327.292 2.203 50 10 EECARM C[C@H]1Cc2cc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)ccc2O1 ZINC000016810396 462990807 /nfs/dbraw/zinc/99/08/07/462990807.db2.gz WYJABGHIMMJYBZ-QJZKUFFDSA-N -1 0 335.406 2.296 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1 ZINC000004655865 462635702 /nfs/dbraw/zinc/63/57/02/462635702.db2.gz NJFYZCWQVURXPM-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000005986257 462673569 /nfs/dbraw/zinc/67/35/69/462673569.db2.gz YBWZOAXZFIUWRW-DLBZAZTESA-N -1 0 346.427 2.235 50 10 EECARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1O ZINC000000368322 462557043 /nfs/dbraw/zinc/55/70/43/462557043.db2.gz HBTIKVXUDNJXNP-MDWZMJQESA-N -1 0 328.299 2.001 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC3CCCC3)C2=O)c(C)c1 ZINC000005737799 462668317 /nfs/dbraw/zinc/66/83/17/462668317.db2.gz DPFUSFHEVFNVKR-GXDHUFHOSA-N -1 0 327.384 2.302 50 10 EECARM Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000012437328 462853513 /nfs/dbraw/zinc/85/35/13/462853513.db2.gz UYOBZNIJQOQCGN-PKNBQFBNSA-N -1 0 329.743 2.345 50 10 EECARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 ZINC000000359129 462556162 /nfs/dbraw/zinc/55/61/62/462556162.db2.gz HRAYLQOFKFSAJS-KPKJPENVSA-N -1 0 330.727 2.213 50 10 EECARM CN1C(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)C(=O)N(C)C1=O ZINC000004860481 462640103 /nfs/dbraw/zinc/64/01/03/462640103.db2.gz VNPWUSUVIOSQSE-UHFFFAOYSA-N -1 0 329.139 2.133 50 10 EECARM O=C([O-])CN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])o2)SC1=S ZINC000013554390 462895309 /nfs/dbraw/zinc/89/53/09/462895309.db2.gz JEUNPFQODSMQJV-PKTZTGOHSA-N -1 0 340.338 2.030 50 10 EECARM COC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=C(C)Nc1ccn[nH]1 ZINC000019894238 202025553 /nfs/dbraw/zinc/02/55/53/202025553.db2.gz FZSJDMNSAMVCCI-LFIBNONCSA-N -1 0 339.355 2.062 50 10 EECARM O=C([O-])/C=C\C(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000080316141 1367215526 /nfs/dbraw/zinc/21/55/26/1367215526.db2.gz RQBUPGGSAPKHHS-ZPIQOJFGSA-N -1 0 337.335 2.106 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1 ZINC000004982093 296355050 /nfs/dbraw/zinc/35/50/50/296355050.db2.gz PERAGKINLCSPOH-UHFFFAOYSA-N -1 0 344.327 2.175 50 10 EECARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccs1 ZINC000000308808 462553570 /nfs/dbraw/zinc/55/35/70/462553570.db2.gz KJZKBSOEYAJTRZ-XFFZJAGNSA-N -1 0 342.332 2.143 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N1 ZINC000004724925 462636438 /nfs/dbraw/zinc/63/64/38/462636438.db2.gz QVTCDFMCZARRGQ-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C/C=C/c3ccco3)C2=O)cc1 ZINC000017150177 462995833 /nfs/dbraw/zinc/99/58/33/462995833.db2.gz KFUFNFCWFZEVJE-RPGBBNPCSA-N -1 0 338.319 2.084 50 10 EECARM CC(=O)N1CCC(c2[n-][nH]c(=O)c2N=Nc2ccc(F)cc2F)CC1 ZINC000100238924 463373261 /nfs/dbraw/zinc/37/32/61/463373261.db2.gz LHMJRAAQHHRNBB-RLBWVDARSA-N -1 0 349.341 2.161 50 10 EECARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000002819231 291881510 /nfs/dbraw/zinc/88/15/10/291881510.db2.gz QXEOIBMNDFASQC-UHFFFAOYSA-N -1 0 337.379 2.460 50 10 EECARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNN1CCCCC1 ZINC000017138109 304655536 /nfs/dbraw/zinc/65/55/36/304655536.db2.gz CXQDCUNPSCFYGG-RAXLEYEMSA-N -1 0 348.790 2.002 50 10 EECARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)c1 ZINC000005043787 692406936 /nfs/dbraw/zinc/40/69/36/692406936.db2.gz TZKSISVYZFCRSZ-LCYFTJDESA-N -1 0 328.349 2.423 50 10 EECARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1O ZINC000000440868 1219396452 /nfs/dbraw/zinc/39/64/52/1219396452.db2.gz NZHWIEVRICEINQ-LCYFTJDESA-N -1 0 344.367 2.195 50 10 EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1 ZINC000005061541 774074927 /nfs/dbraw/zinc/07/49/27/774074927.db2.gz NGGSZFXQMXVZNY-GDNBJRDFSA-N -1 0 338.319 2.067 50 10 EECARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OC(C)C)c1 ZINC000004459888 210195213 /nfs/dbraw/zinc/19/52/13/210195213.db2.gz DGPANBXNOZNWQN-UHFFFAOYSA-N -1 0 345.399 2.069 50 10 EECARM O=C1[N-]C(=O)C(=CC=Cc2coc3ccc(F)cc3c2=O)C(=O)N1 ZINC000017058894 462993759 /nfs/dbraw/zinc/99/37/59/462993759.db2.gz GNAKXAHMUAXHBV-OWOJBTEDSA-N -1 0 328.255 2.078 50 10 EECARM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNN1CCCCC1 ZINC000020189878 280277138 /nfs/dbraw/zinc/27/71/38/280277138.db2.gz XVVBXVNRKTXDSY-SQFISAMPSA-N -1 0 342.399 2.022 50 10 EECARM Cn1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000000501862 462568359 /nfs/dbraw/zinc/56/83/59/462568359.db2.gz WAIFMBMUCOLJHE-DHDCSXOGSA-N -1 0 349.346 2.433 50 10 EECARM CC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000100637952 219103658 /nfs/dbraw/zinc/10/36/58/219103658.db2.gz ZIZRWWFMJRHEFJ-WJDWOHSUSA-N -1 0 349.346 2.468 50 10 EECARM O=c1oc2c(ccc([O-])c2CN2CCOCC2)cc1-c1ccccn1 ZINC000020605020 212152821 /nfs/dbraw/zinc/15/28/21/212152821.db2.gz LUKNDLJZUHPNMF-UHFFFAOYSA-N -1 0 338.363 2.393 50 10 EECARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1 ZINC000003189130 135659229 /nfs/dbraw/zinc/65/92/29/135659229.db2.gz DCUHDHUBJICJRS-GXDHUFHOSA-N -1 0 326.308 2.345 50 10 EECARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000002381763 462592857 /nfs/dbraw/zinc/59/28/57/462592857.db2.gz MAKCXXFKMOPPSN-YRNVUSSQSA-N -1 0 339.394 2.164 50 10 EECARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O ZINC000006499845 462687676 /nfs/dbraw/zinc/68/76/76/462687676.db2.gz JWIBTGBLLRBMJA-ZRDIBKRKSA-N -1 0 326.308 2.345 50 10 EECARM COCCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S ZINC000013940334 462906060 /nfs/dbraw/zinc/90/60/60/462906060.db2.gz NSVJKCRUXFLOBV-XFFZJAGNSA-N -1 0 340.382 2.148 50 10 EECARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(O)c2)C1=O ZINC000000440909 1219396505 /nfs/dbraw/zinc/39/65/05/1219396505.db2.gz YJIRVMRHZHNZPX-XYOKQWHBSA-N -1 0 338.319 2.073 50 10 EECARM COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)cc1 ZINC000003903987 210089197 /nfs/dbraw/zinc/08/91/97/210089197.db2.gz IYDFNWPDTWSAFH-DHDCSXOGSA-N -1 0 339.351 2.061 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002352880 462592685 /nfs/dbraw/zinc/59/26/85/462592685.db2.gz URGYPHLVESNBRH-LOBLAWFCSA-N -1 0 333.394 2.237 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000013320368 462888859 /nfs/dbraw/zinc/88/88/59/462888859.db2.gz FQAYDHPDMYDPHX-DLBZAZTESA-N -1 0 344.411 2.011 50 10 EECARM COc1cc(/C=C2\SC(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000013576105 462896073 /nfs/dbraw/zinc/89/60/73/462896073.db2.gz TWMUYHXWPGTCES-UITAMQMPSA-N -1 0 326.355 2.140 50 10 EECARM COc1ccccc1N1C(=O)C(=Cc2ccc[nH]2)C(=O)[N-]C1=S ZINC000001251954 1367169715 /nfs/dbraw/zinc/16/97/15/1367169715.db2.gz YSFXISXWZCJMKE-PKNBQFBNSA-N -1 0 327.365 2.266 50 10 EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1 ZINC000002847484 462605379 /nfs/dbraw/zinc/60/53/79/462605379.db2.gz REBVYLUIZDKFRR-NTEUORMPSA-N -1 0 326.308 2.263 50 10 EECARM Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)no1 ZINC000009184472 462801103 /nfs/dbraw/zinc/80/11/03/462801103.db2.gz PEFKMOQFXXJRHS-YRNVUSSQSA-N -1 0 346.730 2.215 50 10 EECARM COC(=O)c1ccccc1-n1c(C)cc(/C=C2\NC(=O)[N-]C2=O)c1C ZINC000016213227 462971018 /nfs/dbraw/zinc/97/10/18/462971018.db2.gz HNJJEKHZXUFFBO-ZROIWOOFSA-N -1 0 339.351 2.061 50 10 EECARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)c1 ZINC000000086799 526139886 /nfs/dbraw/zinc/13/98/86/526139886.db2.gz TZKSISVYZFCRSZ-UKTHLTGXSA-N -1 0 328.349 2.423 50 10 EECARM Cc1nc2ccccc2c(=O)n1NCc1cccc([N+](=O)[O-])c1[O-] ZINC000036054467 213058444 /nfs/dbraw/zinc/05/84/44/213058444.db2.gz XLXSGFINVIETJR-UHFFFAOYSA-N -1 0 326.312 2.062 50 10 EECARM CCOc1cccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1O ZINC000001196343 462577721 /nfs/dbraw/zinc/57/77/21/462577721.db2.gz IFMSBPWWOCCGCB-UXBLZVDNSA-N -1 0 339.394 2.077 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000005986254 462673254 /nfs/dbraw/zinc/67/32/54/462673254.db2.gz YBWZOAXZFIUWRW-IAGOWNOFSA-N -1 0 346.427 2.235 50 10 EECARM CN1C(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])C(=O)N(C)C1=O ZINC000006974153 462714744 /nfs/dbraw/zinc/71/47/44/462714744.db2.gz CJFHYCRZZGOBBB-UHFFFAOYSA-N -1 0 329.139 2.133 50 10 EECARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/C=C/c1ccc([N+](=O)[O-])o1 ZINC000008381379 462782484 /nfs/dbraw/zinc/78/24/84/462782484.db2.gz MSMXNPAGYVUMFL-ZAUJTXRMSA-N -1 0 325.280 2.205 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2cccc(F)c2)C(=O)N1 ZINC000003002754 527048877 /nfs/dbraw/zinc/04/88/77/527048877.db2.gz LAEANUVNTCJZRM-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1O ZINC000015659222 1225575541 /nfs/dbraw/zinc/57/55/41/1225575541.db2.gz AQBSGLAUFFABRK-UKTHLTGXSA-N -1 0 338.319 2.067 50 10 EECARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000100417093 219098651 /nfs/dbraw/zinc/09/86/51/219098651.db2.gz POIWLAAVSNYEPA-GDNBJRDFSA-N -1 0 339.326 2.400 50 10 EECARM COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccccc2F)cc1 ZINC000034926467 213000708 /nfs/dbraw/zinc/00/07/08/213000708.db2.gz YFQZPFOJTPYHCU-UHFFFAOYSA-N -1 0 346.358 2.042 50 10 EECARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc1 ZINC000005100561 210390042 /nfs/dbraw/zinc/39/00/42/210390042.db2.gz ILLBGDBGGTUGGV-RAXLEYEMSA-N -1 0 331.372 2.258 50 10 EECARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1C ZINC000004996808 210354534 /nfs/dbraw/zinc/35/45/34/210354534.db2.gz PNCQWCCJCZDXEP-NVNXTCNLSA-N -1 0 336.347 2.494 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000001737017 462586220 /nfs/dbraw/zinc/58/62/20/462586220.db2.gz DTJBOBKXKKSBDK-JXMROGBWSA-N -1 0 338.366 2.271 50 10 EECARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000014256785 462921976 /nfs/dbraw/zinc/92/19/76/462921976.db2.gz VANHGYWOCSRMGF-UHFFFAOYSA-N -1 0 348.409 2.451 50 10 EECARM Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c(C)n1-c1ccccc1 ZINC000072427353 216217913 /nfs/dbraw/zinc/21/79/13/216217913.db2.gz STRAGTKFDIHGFA-MRXNPFEDSA-N -1 0 342.395 2.410 50 10 EECARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(C)o2)C1=O ZINC000000440896 1219396326 /nfs/dbraw/zinc/39/63/26/1219396326.db2.gz MJRAYBATHBCKAM-XFXZXTDPSA-N -1 0 326.308 2.263 50 10 EECARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000100525332 219101021 /nfs/dbraw/zinc/10/10/21/219101021.db2.gz RAGLNOYYHRUCBP-ASLCJXLESA-N -1 0 340.206 2.363 50 10 EECARM Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CO)C2=O)cc1C ZINC000101123381 301069206 /nfs/dbraw/zinc/06/92/06/301069206.db2.gz ALWLBROEXJYUAI-YVMONPNESA-N -1 0 339.145 2.091 50 10 EECARM O=C([O-])COc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 ZINC000008569669 462789406 /nfs/dbraw/zinc/78/94/06/462789406.db2.gz XLNZQOGCZVWLHA-LCYFTJDESA-N -1 0 332.381 2.216 50 10 EECARM Cc1ccc(N2C(=O)/C(=C\c3cccn3C)C(=O)[N-]C2=S)cc1C ZINC000004460744 686916382 /nfs/dbraw/zinc/91/63/82/686916382.db2.gz JKSDLJLZJKIXTM-GDNBJRDFSA-N -1 0 339.420 2.473 50 10 EECARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(O)cc1 ZINC000009010095 211029404 /nfs/dbraw/zinc/02/94/04/211029404.db2.gz ISROMQICVYXSEA-UHFFFAOYSA-N -1 0 325.324 2.389 50 10 EECARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000013039594 276881443 /nfs/dbraw/zinc/88/14/43/276881443.db2.gz LRSSRLBEFAEMOY-SFQUDFHCSA-N -1 0 349.390 2.415 50 10 EECARM COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)ccc1O ZINC000026771502 463171076 /nfs/dbraw/zinc/17/10/76/463171076.db2.gz BGCHLBDCPGTQDO-KEXZDQNZSA-N -1 0 339.394 2.075 50 10 EECARM Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000041091168 463466561 /nfs/dbraw/zinc/46/65/61/463466561.db2.gz MZTLMRLIWUBTOP-UHFFFAOYSA-N -1 0 325.317 2.339 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3O)C2=O)cc1 ZINC000006088254 462677055 /nfs/dbraw/zinc/67/70/55/462677055.db2.gz XLYBLSHVPHEYGN-RAXLEYEMSA-N -1 0 337.335 2.279 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000013320366 462888774 /nfs/dbraw/zinc/88/87/74/462888774.db2.gz FQAYDHPDMYDPHX-IRXDYDNUSA-N -1 0 344.411 2.011 50 10 EECARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000015012551 462937553 /nfs/dbraw/zinc/93/75/53/462937553.db2.gz VGJVECNHZBJBEO-OVCLIPMQSA-N -1 0 341.342 2.325 50 10 EECARM O=C([O-])CN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S ZINC000001107665 462577344 /nfs/dbraw/zinc/57/73/44/462577344.db2.gz IQHZUPWJYLGIFN-VZUCSPMQSA-N -1 0 347.373 2.079 50 10 EECARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccn1 ZINC000008436750 462783372 /nfs/dbraw/zinc/78/33/72/462783372.db2.gz VLHJILDUABKLMS-XFXZXTDPSA-N -1 0 342.742 2.314 50 10 EECARM COc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1 ZINC000005028546 210366788 /nfs/dbraw/zinc/36/67/88/210366788.db2.gz RJLBNMGBHYMWLH-UHFFFAOYSA-N -1 0 344.348 2.189 50 10 EECARM CC1=C(C)C[C@@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 ZINC000101086263 281663471 /nfs/dbraw/zinc/66/34/71/281663471.db2.gz MQXORJFACIBWPO-HRCADAONSA-N -1 0 327.380 2.414 50 10 EECARM Cc1ccccc1COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000002978842 462609364 /nfs/dbraw/zinc/60/93/64/462609364.db2.gz AEUWXXPUROUVCO-UHFFFAOYSA-N -1 0 336.347 2.323 50 10 EECARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005374600 462657219 /nfs/dbraw/zinc/65/72/19/462657219.db2.gz PUGKHTARRSXMCQ-CBFJXKFUSA-N -1 0 342.467 2.422 50 10 EECARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013809892 462904649 /nfs/dbraw/zinc/90/46/49/462904649.db2.gz OEWOTYTVUXBDPL-MLPAPPSSSA-N -1 0 325.324 2.003 50 10 EECARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(O)cc1 ZINC000101469832 463378688 /nfs/dbraw/zinc/37/86/88/463378688.db2.gz QBOYSRYBIKIHOZ-FZFLATATSA-N -1 0 337.339 2.341 50 10 EECARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1F ZINC000007052012 462719775 /nfs/dbraw/zinc/71/97/75/462719775.db2.gz YDLGHFLMZUCCBI-UHFFFAOYSA-N -1 0 339.300 2.053 50 10 EECARM COc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c(OC)c1 ZINC000008473598 462784824 /nfs/dbraw/zinc/78/48/24/462784824.db2.gz NWRPRCMEFWOWDJ-UHFFFAOYSA-N -1 0 327.292 2.203 50 10 EECARM COc1cc(/C=C2/SC(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000016671493 462987400 /nfs/dbraw/zinc/98/74/00/462987400.db2.gz TWMUYHXWPGTCES-WEVVVXLNSA-N -1 0 326.355 2.140 50 10 EECARM Cc1cccc(N2C(=O)C(=CNN3CCCCC3)C(=O)[N-]C2=S)c1 ZINC000009109800 301997139 /nfs/dbraw/zinc/99/71/39/301997139.db2.gz UOIQSYAWOPRFAA-SDNWHVSQSA-N -1 0 344.440 2.028 50 10 EECARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000000179013 462545397 /nfs/dbraw/zinc/54/53/97/462545397.db2.gz ZHUDDGYVZWSKRO-VBKFSLOCSA-N -1 0 335.363 2.419 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1 ZINC000002844664 462605169 /nfs/dbraw/zinc/60/51/69/462605169.db2.gz CZOCLWCTFHYMAS-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000005332449 462656533 /nfs/dbraw/zinc/65/65/33/462656533.db2.gz DUIPNXYXDYGNPV-UHFFFAOYSA-N -1 0 349.393 2.279 50 10 EECARM Cn1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000013602823 462897422 /nfs/dbraw/zinc/89/74/22/462897422.db2.gz ALNMHYLYLHNCQJ-SDQBBNPISA-N -1 0 332.406 2.464 50 10 EECARM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCC(C)C)C1=O ZINC000019595382 463018826 /nfs/dbraw/zinc/01/88/26/463018826.db2.gz SNFNIOSRXHUNSO-QBFSEMIESA-N -1 0 345.399 2.188 50 10 EECARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)c1 ZINC000005043789 774063736 /nfs/dbraw/zinc/06/37/36/774063736.db2.gz XVSAPFYEBZESDQ-QPEQYQDCSA-N -1 0 328.349 2.423 50 10 EECARM COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000003764745 290918371 /nfs/dbraw/zinc/91/83/71/290918371.db2.gz HTJDHZUGHUKWIN-ZROIWOOFSA-N -1 0 329.352 2.466 50 10 EECARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])o2)C1=O ZINC000005053472 302103822 /nfs/dbraw/zinc/10/38/22/302103822.db2.gz NKCUHGFOPNRWOP-FLIBITNWSA-N -1 0 341.279 2.163 50 10 EECARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)OC(C)(C)OC1=O ZINC000005576169 462663011 /nfs/dbraw/zinc/66/30/11/462663011.db2.gz KPYSABWLDFNOBP-UHFFFAOYSA-N -1 0 328.324 2.106 50 10 EECARM COc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1O ZINC000013343387 462890009 /nfs/dbraw/zinc/89/00/09/462890009.db2.gz QDLPDGYOWIZQAQ-XFFZJAGNSA-N -1 0 339.394 2.077 50 10 EECARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1C ZINC000000451472 679613524 /nfs/dbraw/zinc/61/35/24/679613524.db2.gz NDQTXRFWXTUMEE-ZROIWOOFSA-N -1 0 340.335 2.259 50 10 EECARM Nc1ccc(Oc2ccc3c(c2)C(=O)N(CCC(=O)[O-])C3=O)cc1 ZINC000006397901 210628797 /nfs/dbraw/zinc/62/87/97/210628797.db2.gz JTEULSJEAVJHIX-UHFFFAOYSA-N -1 0 326.308 2.132 50 10 EECARM O=C([O-])CCC(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000080316106 217297416 /nfs/dbraw/zinc/29/74/16/217297416.db2.gz HEJNCGOKQQWAED-HNNXBMFYSA-N -1 0 339.351 2.330 50 10 EECARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000009088295 296357203 /nfs/dbraw/zinc/35/72/03/296357203.db2.gz BYMDGIBYUQZMPB-JYRVWZFOSA-N -1 0 342.351 2.210 50 10 EECARM Cc1nc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2[nH]1 ZINC000044920066 462541376 /nfs/dbraw/zinc/54/13/76/462541376.db2.gz NSUUJPPGGFERAU-UHFFFAOYSA-N -1 0 329.341 2.208 50 10 EECARM O=S(=O)(Nc1ccc([O-])c(Sc2nc[nH]n2)c1)c1ccccc1 ZINC000006368838 462684339 /nfs/dbraw/zinc/68/43/39/462684339.db2.gz HVUYWBXHGIZTCK-UHFFFAOYSA-N -1 0 348.409 2.462 50 10 EECARM CC(=O)Nc1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1 ZINC000032099693 463364570 /nfs/dbraw/zinc/36/45/70/463364570.db2.gz RUCRZAQJCJXUIO-YBEGLDIGSA-N -1 0 339.326 2.246 50 10 EECARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000584904437 468960456 /nfs/dbraw/zinc/96/04/56/468960456.db2.gz COYKIZQDXHBJLI-MJBXVCDLSA-N -1 0 333.771 2.200 50 10 EECARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000006253676 210606708 /nfs/dbraw/zinc/60/67/08/210606708.db2.gz LMLHVLCRWADVJN-QMMMGPOBSA-N -1 0 325.386 2.463 50 10 EECARM CN1c2ccccc2S/C1=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000016916997 290320936 /nfs/dbraw/zinc/32/09/36/290320936.db2.gz RPTCCZCUFYQVQQ-ZRDIBKRKSA-N -1 0 338.435 2.343 50 10 EECARM CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000000073696 462541460 /nfs/dbraw/zinc/54/14/60/462541460.db2.gz BDXRLTTUPKKFML-UHFFFAOYSA-N -1 0 337.353 2.290 50 10 EECARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)ccc1O ZINC000000341618 462555623 /nfs/dbraw/zinc/55/56/23/462555623.db2.gz ZTAOSBSMVITRRG-FLIBITNWSA-N -1 0 332.356 2.051 50 10 EECARM COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)ccc1O ZINC000001191574 462578000 /nfs/dbraw/zinc/57/80/00/462578000.db2.gz BGCHLBDCPGTQDO-KSRYWAHESA-N -1 0 339.394 2.075 50 10 EECARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004471548 462632690 /nfs/dbraw/zinc/63/26/90/462632690.db2.gz JXRREARYIBAULF-JYRVWZFOSA-N -1 0 336.303 2.082 50 10 EECARM COc1ccc(N2C(=O)/C(=C\c3ccoc3)C(=O)[N-]C2=S)cc1 ZINC000004456513 686910518 /nfs/dbraw/zinc/91/05/18/686910518.db2.gz VVTINUCZSUZFJO-JYRVWZFOSA-N -1 0 328.349 2.120 50 10 EECARM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000016511956 1227511714 /nfs/dbraw/zinc/51/17/14/1227511714.db2.gz JDZHVTTXDNVEMP-RVDMUPIBSA-N -1 0 336.347 2.357 50 10 EECARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3N)C2=O)c1 ZINC000100526500 219101001 /nfs/dbraw/zinc/10/10/01/219101001.db2.gz SLKVYJMIYBBTTG-RAXLEYEMSA-N -1 0 336.351 2.156 50 10 EECARM Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C(=O)[O-] ZINC000092022479 302154426 /nfs/dbraw/zinc/15/44/26/302154426.db2.gz UNQLHYHCPGSCEM-LSDHHAIUSA-N -1 0 341.363 2.347 50 10 EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1 ZINC000000440890 462563096 /nfs/dbraw/zinc/56/30/96/462563096.db2.gz UXSNUNXBYLVXKX-UKTHLTGXSA-N -1 0 328.349 2.423 50 10 EECARM O=C([N-]N1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccco1 ZINC000012954077 211493330 /nfs/dbraw/zinc/49/33/30/211493330.db2.gz YNACZJUWWFCMTM-YRNVUSSQSA-N -1 0 331.378 2.221 50 10 EECARM COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C2)cc1 ZINC000074941238 295156146 /nfs/dbraw/zinc/15/61/46/295156146.db2.gz PBHVVKGRIQONMR-CQSZACIVSA-N -1 0 336.388 2.206 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N1 ZINC000002844830 462605798 /nfs/dbraw/zinc/60/57/98/462605798.db2.gz KAJQVSWYDGEUBT-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)ccc1O ZINC000016312204 462973649 /nfs/dbraw/zinc/97/36/49/462973649.db2.gz SKRLZYOSNSSFMN-DHDCSXOGSA-N -1 0 338.363 2.479 50 10 EECARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1coc2ccccc2c1=O ZINC000000429842 284912983 /nfs/dbraw/zinc/91/29/83/284912983.db2.gz YVNNNUYYUPASHS-XNTDXEJSSA-N -1 0 332.315 2.254 50 10 EECARM O=C([O-])CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000001139885 462577865 /nfs/dbraw/zinc/57/78/65/462577865.db2.gz ADIHARFOHLWBRD-SDQBBNPISA-N -1 0 333.390 2.291 50 10 EECARM CC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000002903989 462606559 /nfs/dbraw/zinc/60/65/59/462606559.db2.gz YBNMDGUSLZNXPD-LFIBNONCSA-N -1 0 349.346 2.468 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3)C2=O)cc1 ZINC000006088246 462677718 /nfs/dbraw/zinc/67/77/18/462677718.db2.gz OGERQKBUUGNYAS-GDNBJRDFSA-N -1 0 337.335 2.279 50 10 EECARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000013510886 462894027 /nfs/dbraw/zinc/89/40/27/462894027.db2.gz AGZPIAFUAOPTCR-LFIBNONCSA-N -1 0 336.347 2.357 50 10 EECARM COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])C2)cc1 ZINC000074941240 132814929 /nfs/dbraw/zinc/81/49/29/132814929.db2.gz PBHVVKGRIQONMR-AWEZNQCLSA-N -1 0 336.388 2.206 50 10 EECARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(C)o3)C2=O)cc1 ZINC000002817754 462604377 /nfs/dbraw/zinc/60/43/77/462604377.db2.gz LXVIVWFXHFPPSF-OQLLNIDSSA-N -1 0 340.335 2.259 50 10 EECARM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1 ZINC000004502445 462632707 /nfs/dbraw/zinc/63/27/07/462632707.db2.gz UPXCNMKGIXUQKJ-UHFFFAOYSA-N -1 0 328.349 2.489 50 10 EECARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000101933060 463384285 /nfs/dbraw/zinc/38/42/85/463384285.db2.gz YXZCPKAEOUVTHD-ACCUITESSA-N -1 0 337.335 2.274 50 10 EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1 ZINC000000114632 462543214 /nfs/dbraw/zinc/54/32/14/462543214.db2.gz REBVYLUIZDKFRR-ZROIWOOFSA-N -1 0 326.308 2.263 50 10 EECARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)c1 ZINC000005734495 462668490 /nfs/dbraw/zinc/66/84/90/462668490.db2.gz NDZYJBGZMAJBMW-GDNBJRDFSA-N -1 0 339.351 2.153 50 10 EECARM COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3cc(O)c(O)cc32)cc1C ZINC000006681947 778788392 /nfs/dbraw/zinc/78/83/92/778788392.db2.gz GJTWMLKOWMTELQ-GUYCJALGSA-N -1 0 329.352 2.103 50 10 EECARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)o1 ZINC000000457789 280753496 /nfs/dbraw/zinc/75/34/96/280753496.db2.gz LFTCUIFQHWBJHX-GDNBJRDFSA-N -1 0 342.326 2.432 50 10 EECARM COC(=O)c1sccc1N=Cc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000003210353 462612694 /nfs/dbraw/zinc/61/26/94/462612694.db2.gz RVVAPTXJAZWWCU-LUAWRHEFSA-N -1 0 327.365 2.365 50 10 EECARM CCC[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C(=O)[O-] ZINC000005235520 283930346 /nfs/dbraw/zinc/93/03/46/283930346.db2.gz QNNICIJEJNAHJC-AWEZNQCLSA-N -1 0 331.368 2.330 50 10 EECARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002352885 298215751 /nfs/dbraw/zinc/21/57/51/298215751.db2.gz URGYPHLVESNBRH-LWYMYGMPSA-N -1 0 333.394 2.237 50 10 EECARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccccc1O ZINC000009089589 462799336 /nfs/dbraw/zinc/79/93/36/462799336.db2.gz FOSBXVZJGGSVOU-UHFFFAOYSA-N -1 0 325.324 2.389 50 10 EECARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)o1 ZINC000013496686 462894595 /nfs/dbraw/zinc/89/45/95/462894595.db2.gz LFTCUIFQHWBJHX-XNTDXEJSSA-N -1 0 342.326 2.432 50 10 EECARM COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3cc(O)c(O)cc32)cc1C ZINC000006681946 778788174 /nfs/dbraw/zinc/78/81/74/778788174.db2.gz GJTWMLKOWMTELQ-SUMWQHHRSA-N -1 0 329.352 2.103 50 10 EECARM Cc1cc2c(cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O)OCO2 ZINC000002993513 201553774 /nfs/dbraw/zinc/55/37/74/201553774.db2.gz OFGUTCFDVZSLKT-NYYWCZLTSA-N -1 0 337.378 2.010 50 10 EECARM Cc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)[N-]C2=S)cc1C ZINC000000555724 462569900 /nfs/dbraw/zinc/56/99/00/462569900.db2.gz JKSDLJLZJKIXTM-XNTDXEJSSA-N -1 0 339.420 2.473 50 10 EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)cc1 ZINC000005720502 462667525 /nfs/dbraw/zinc/66/75/25/462667525.db2.gz LPBMAPCMRIIJQE-JYRVWZFOSA-N -1 0 328.349 2.423 50 10 EECARM CCCCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000005826013 462669689 /nfs/dbraw/zinc/66/96/89/462669689.db2.gz WWMMPLZQJYPDPO-LCYFTJDESA-N -1 0 344.367 2.457 50 10 EECARM COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)ccc1O ZINC000026771503 202148259 /nfs/dbraw/zinc/14/82/59/202148259.db2.gz BGCHLBDCPGTQDO-PKTIUJEHSA-N -1 0 339.394 2.075 50 10 EECARM C[C@H]1CCCN(c2ccc(CNC(=O)c3[nH]cnc3C(=O)[O-])cc2)C1 ZINC000215006376 241100756 /nfs/dbraw/zinc/10/07/56/241100756.db2.gz YAONHQRXUTUKMZ-LBPRGKRZSA-N -1 0 342.399 2.274 50 10 EECARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S ZINC000002869893 205633392 /nfs/dbraw/zinc/63/33/92/205633392.db2.gz MAKCXXFKMOPPSN-XFFZJAGNSA-N -1 0 339.394 2.164 50 10 EECARM Cc1ccc(N2C(=O)C(=CNN3CCCCC3)C(=O)[N-]C2=S)cc1 ZINC000009008656 292126655 /nfs/dbraw/zinc/12/66/55/292126655.db2.gz SWSSMNUEQSTCII-KAMYIIQDSA-N -1 0 344.440 2.028 50 10 EECARM Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000001755367 279367592 /nfs/dbraw/zinc/36/75/92/279367592.db2.gz UMLPCBOAIJQWCT-LCYFTJDESA-N -1 0 329.356 2.407 50 10 EECARM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000014256647 462921911 /nfs/dbraw/zinc/92/19/11/462921911.db2.gz FHKFMUKGQQSGFU-UHFFFAOYSA-N -1 0 349.393 2.279 50 10 EECARM CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000000042971 209386507 /nfs/dbraw/zinc/38/65/07/209386507.db2.gz GDZHHVABLWIDDM-UHFFFAOYSA-N -1 0 325.276 2.111 50 10 EECARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3cccs3)C2=O)c(C)n1C ZINC000096254767 463228729 /nfs/dbraw/zinc/22/87/29/463228729.db2.gz QFOXUHARVWLJFU-RIYZIHGNSA-N -1 0 343.408 2.365 50 10 EECARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccccc3)C2=O)cc1 ZINC000000063895 209397287 /nfs/dbraw/zinc/39/72/87/209397287.db2.gz RDJBPXAGXNUUIJ-FOWTUZBSSA-N -1 0 336.347 2.325 50 10 EECARM Cn1cccc1/C=C1/C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000000507606 462567815 /nfs/dbraw/zinc/56/78/15/462567815.db2.gz DQXYSIDVUYCADC-QINSGFPZSA-N -1 0 327.384 2.377 50 10 EECARM C[C@H]1Cc2cc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)ccc2O1 ZINC000002358321 462592946 /nfs/dbraw/zinc/59/29/46/462592946.db2.gz WYJABGHIMMJYBZ-UGZWPXFQSA-N -1 0 335.406 2.296 50 10 EECARM CCCN1C(=O)C(=CN[C@@H](C)CCc2ccccc2)C(=O)NC1=S ZINC000006907427 685793567 /nfs/dbraw/zinc/79/35/67/685793567.db2.gz SVHQXYJBWWRQGC-FRRXJZEGSA-N -1 0 345.468 2.135 50 10 EECARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000002967849 296356873 /nfs/dbraw/zinc/35/68/73/296356873.db2.gz BMFSZMGNKZRKEB-GXDHUFHOSA-N -1 0 343.339 2.389 50 10 EECARM COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000000175775 462545047 /nfs/dbraw/zinc/54/50/47/462545047.db2.gz JDZHVTTXDNVEMP-PTNGSMBKSA-N -1 0 336.347 2.357 50 10 EECARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(C)s3)C2=O)cc1 ZINC000000331661 462554592 /nfs/dbraw/zinc/55/45/92/462554592.db2.gz XSLMEPAJXPTMBZ-ZROIWOOFSA-N -1 0 342.376 2.305 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)cc1C ZINC000005739999 462668568 /nfs/dbraw/zinc/66/85/68/462668568.db2.gz QUDVENBILOBTPH-GDNBJRDFSA-N -1 0 339.351 2.153 50 10 EECARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccn1 ZINC000101346627 463377558 /nfs/dbraw/zinc/37/75/58/463377558.db2.gz VLHJILDUABKLMS-FMIVXFBMSA-N -1 0 342.742 2.314 50 10 EECARM COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3cc(O)c(O)cc32)cc1C ZINC000006681944 778787902 /nfs/dbraw/zinc/78/79/02/778787902.db2.gz GJTWMLKOWMTELQ-CXAGYDPISA-N -1 0 329.352 2.103 50 10 EECARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(C)o3)C2=O)cc1 ZINC000004834263 210291774 /nfs/dbraw/zinc/29/17/74/210291774.db2.gz PPNPRAUDKLNBQF-GDNBJRDFSA-N -1 0 340.335 2.226 50 10 EECARM Cn1cccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000000508073 462567487 /nfs/dbraw/zinc/56/74/87/462567487.db2.gz UYOBZNIJQOQCGN-LUAWRHEFSA-N -1 0 329.743 2.345 50 10 EECARM CN1C(=O)[N-]C(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000002909605 462607019 /nfs/dbraw/zinc/60/70/19/462607019.db2.gz AOLLMUCGNRVSFP-UKTHLTGXSA-N -1 0 340.295 2.317 50 10 EECARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNN1CCCCC1 ZINC000009013773 462797832 /nfs/dbraw/zinc/79/78/32/462797832.db2.gz MLZBLRXSGLRIAV-JLHYYAGUSA-N -1 0 348.403 2.288 50 10 EECARM O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000035103171 463430748 /nfs/dbraw/zinc/43/07/48/463430748.db2.gz ZYBDNFIIRFQLEQ-UHFFFAOYSA-N -1 0 333.296 2.444 50 10 EECARM Cc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000002968792 280589777 /nfs/dbraw/zinc/58/97/77/280589777.db2.gz YHCZADUABLWAHP-UHFFFAOYSA-N -1 0 347.374 2.265 50 10 EECARM CS(=O)(=O)Nc1cc(Br)c([O-])c(Br)c1 ZINC000000254936 462551121 /nfs/dbraw/zinc/55/11/21/462551121.db2.gz UQPDDOZYKJUBEB-UHFFFAOYSA-N -1 0 345.012 2.289 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000001776536 462586289 /nfs/dbraw/zinc/58/62/89/462586289.db2.gz VCZLMXPUUYHQPB-JXMROGBWSA-N -1 0 338.366 2.271 50 10 EECARM C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)ccc2O1 ZINC000016810394 462991617 /nfs/dbraw/zinc/99/16/17/462991617.db2.gz WYJABGHIMMJYBZ-VNUQYUTRSA-N -1 0 335.406 2.296 50 10 EECARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O ZINC000000198500 295367659 /nfs/dbraw/zinc/36/76/59/295367659.db2.gz SYKPBCHMZDGLNX-JLHYYAGUSA-N -1 0 338.319 2.067 50 10 EECARM O=c1oc2c(cc(Cl)c([O-])c2CN2CCOCC2)c2c1CCC2 ZINC000020134179 304819583 /nfs/dbraw/zinc/81/95/83/304819583.db2.gz FNHDCMLVRBZQCW-UHFFFAOYSA-N -1 0 335.787 2.473 50 10 aggregator EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000000967067 462574964 /nfs/dbraw/zinc/57/49/64/462574964.db2.gz BTFIEFMNLFOOJG-SYFUPATCSA-N -1 0 337.378 2.090 50 10 EECARM Cc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000004551318 462634050 /nfs/dbraw/zinc/63/40/50/462634050.db2.gz ALTZZBIDMDVUNV-FLIBITNWSA-N -1 0 343.451 2.084 50 10 EECARM Cc1cccc(N2C(=O)C(=CNN3CCCCC3)C(=O)[N-]C2=S)c1 ZINC000019995585 463024606 /nfs/dbraw/zinc/02/46/06/463024606.db2.gz UOIQSYAWOPRFAA-KAMYIIQDSA-N -1 0 344.440 2.457 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000004976548 295802008 /nfs/dbraw/zinc/80/20/08/295802008.db2.gz BTFIEFMNLFOOJG-AUEGDVLESA-N -1 0 337.378 2.090 50 10 EECARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNN1CCCCC1 ZINC000033930331 284778749 /nfs/dbraw/zinc/77/87/49/284778749.db2.gz MJDHOWJDJCLESZ-ACCUITESSA-N -1 0 330.413 2.149 50 10 EECARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000005345255 210444664 /nfs/dbraw/zinc/44/46/64/210444664.db2.gz RUZVIOGOYHJKDT-JMUHATKESA-N -1 0 339.394 2.162 50 10 EECARM Cc1ccsc1/C=C1\SC(=S)N(CCS(=O)(=O)[O-])C1=O ZINC000005201036 210412053 /nfs/dbraw/zinc/41/20/53/210412053.db2.gz JGZPGTXTSKRFGV-TWGQIWQCSA-N -1 0 349.480 2.146 50 10 EECARM CN1C(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)C(=O)N(C)C1=S ZINC000000039273 462540901 /nfs/dbraw/zinc/54/09/01/462540901.db2.gz XTSMJCPYIKPSQX-UHFFFAOYSA-N -1 0 345.207 2.298 50 10 EECARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000013548887 211575822 /nfs/dbraw/zinc/57/58/22/211575822.db2.gz XEDQILXXHYOZEF-ZROIWOOFSA-N -1 0 326.283 2.198 50 10 EECARM Cc1ccc(NNC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000003014464 462608487 /nfs/dbraw/zinc/60/84/87/462608487.db2.gz KZZUEPFQSWYNCF-PTNGSMBKSA-N -1 0 336.351 2.078 50 10 EECARM CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000004681340 210246028 /nfs/dbraw/zinc/24/60/28/210246028.db2.gz WVUPNVPOKGPNCH-UVTDQMKNSA-N -1 0 329.352 2.467 50 10 EECARM Cc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O)OCO2 ZINC000013942509 462906338 /nfs/dbraw/zinc/90/63/38/462906338.db2.gz OFGUTCFDVZSLKT-WCIBSUBMSA-N -1 0 337.378 2.010 50 10 EECARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccn1 ZINC000102880043 463392445 /nfs/dbraw/zinc/39/24/45/463392445.db2.gz BLFPPTMMXUFKFI-FMIVXFBMSA-N -1 0 342.742 2.314 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000005447354 810597726 /nfs/dbraw/zinc/59/77/26/810597726.db2.gz XGTGMKYGVNHPTC-KWINOFQJSA-N -1 0 336.438 2.427 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000013320367 211542978 /nfs/dbraw/zinc/54/29/78/211542978.db2.gz FQAYDHPDMYDPHX-IAGOWNOFSA-N -1 0 344.411 2.011 50 10 EECARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000000341731 462555679 /nfs/dbraw/zinc/55/56/79/462555679.db2.gz PCEIKQLOBZROLW-XNTDXEJSSA-N -1 0 338.319 2.067 50 10 EECARM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1O ZINC000001817711 462587178 /nfs/dbraw/zinc/58/71/78/462587178.db2.gz VTUUIQIIKSGVKF-IZZDOVSWSA-N -1 0 339.394 2.077 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000001800314 462587902 /nfs/dbraw/zinc/58/79/02/462587902.db2.gz VMOGNRHIPUOQQA-LOBLAWFCSA-N -1 0 338.366 2.269 50 10 EECARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000002837348 462604511 /nfs/dbraw/zinc/60/45/11/462604511.db2.gz YXZCPKAEOUVTHD-QBFSEMIESA-N -1 0 337.335 2.274 50 10 EECARM [O-]c1c(Br)cc(Br)cc1CNn1cnnc1 ZINC000004599199 210230961 /nfs/dbraw/zinc/23/09/61/210230961.db2.gz CBZHYMQOCJDUOJ-UHFFFAOYSA-N -1 0 347.998 2.252 50 10 EECARM Cc1ccccc1N1C(=O)C(=CNN2CCCCC2)C(=O)[N-]C1=S ZINC000009334413 302103283 /nfs/dbraw/zinc/10/32/83/302103283.db2.gz GRIYSBQJJCIHRE-QBFSEMIESA-N -1 0 344.440 2.028 50 10 EECARM CC[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000000044491 462540863 /nfs/dbraw/zinc/54/08/63/462540863.db2.gz PKGPMKGQIZBWIX-CQSZACIVSA-N -1 0 331.368 2.330 50 10 EECARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1 ZINC000000088107 462541927 /nfs/dbraw/zinc/54/19/27/462541927.db2.gz JGGGIVYBGMGZLU-MDWZMJQESA-N -1 0 338.319 2.073 50 10 EECARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000000502468 462568164 /nfs/dbraw/zinc/56/81/64/462568164.db2.gz KEOHDHMMVYEXNQ-DHDCSXOGSA-N -1 0 340.310 2.193 50 10 EECARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000027533772 295802447 /nfs/dbraw/zinc/80/24/47/295802447.db2.gz URGYPHLVESNBRH-FSEMZKDTSA-N -1 0 333.394 2.237 50 10 EECARM Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c(C)n1-c1ccccc1 ZINC000072427352 216218082 /nfs/dbraw/zinc/21/80/82/216218082.db2.gz STRAGTKFDIHGFA-INIZCTEOSA-N -1 0 342.395 2.410 50 10 EECARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000015822700 211855930 /nfs/dbraw/zinc/85/59/30/211855930.db2.gz QCQJEZYZKNEZAT-XNTDXEJSSA-N -1 0 338.319 2.067 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S ZINC000006660706 210672978 /nfs/dbraw/zinc/67/29/78/210672978.db2.gz RVLWJIVGQSQNTN-FLIBITNWSA-N -1 0 345.405 2.306 50 10 EECARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccsc3)C2=O)cc1 ZINC000005043867 210373179 /nfs/dbraw/zinc/37/31/79/210373179.db2.gz WJJQQEHKPQNAEV-RIYZIHGNSA-N -1 0 342.376 2.419 50 10 EECARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1O ZINC000032109801 463364704 /nfs/dbraw/zinc/36/47/04/463364704.db2.gz ILBDXQADUWUWAD-MLPAPPSSSA-N -1 0 330.727 2.213 50 10 EECARM COC(=O)c1sccc1N=Cc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000100278032 219096067 /nfs/dbraw/zinc/09/60/67/219096067.db2.gz RVVAPTXJAZWWCU-PKNBQFBNSA-N -1 0 327.365 2.365 50 10 EECARM O=S(=O)([N-]c1ccc2[nH]cnc2c1)c1cccc2nsnc21 ZINC000040267474 213286146 /nfs/dbraw/zinc/28/61/46/213286146.db2.gz FHCBDEWQKQQHGE-UHFFFAOYSA-N -1 0 331.382 2.368 50 10 EECARM O=C([O-])CN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S ZINC000003213178 462612554 /nfs/dbraw/zinc/61/25/54/462612554.db2.gz ALVBEVHIYVLGOM-WTKPLQERSA-N -1 0 329.786 2.331 50 10 EECARM COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000005986256 462673617 /nfs/dbraw/zinc/67/36/17/462673617.db2.gz YBWZOAXZFIUWRW-IRXDYDNUSA-N -1 0 346.427 2.235 50 10 EECARM Cc1cc(O)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000110307704 463657635 /nfs/dbraw/zinc/65/76/35/463657635.db2.gz NIKKUWIIAIWTQZ-GXDHUFHOSA-N -1 0 337.335 2.279 50 10 EECARM COc1ccc(N=Cc2c(=O)n(C)[n-]c2C(F)(F)F)c(OC)c1 ZINC000100335031 219096728 /nfs/dbraw/zinc/09/67/28/219096728.db2.gz YEIKHZWCQFJSFY-CLFYSBASSA-N -1 0 329.278 2.390 50 10 EECARM O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)C1=CNNc1ccccc1 ZINC000005093192 210388156 /nfs/dbraw/zinc/38/81/56/210388156.db2.gz DXHLXQUNAYBKTC-NTCAYCPXSA-N -1 0 342.399 2.288 50 10 EECARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1cnn(-c2ccccc2)c1 ZINC000000090585 462541852 /nfs/dbraw/zinc/54/18/52/462541852.db2.gz XJLNIXNDPVRNEC-YVLHZVERSA-N -1 0 348.337 2.473 50 10 EECARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1O ZINC000016428008 462978449 /nfs/dbraw/zinc/97/84/49/462978449.db2.gz OTQOTHOPTHDCOX-QPEQYQDCSA-N -1 0 330.727 2.213 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001793531 462586521 /nfs/dbraw/zinc/58/65/21/462586521.db2.gz GCQMLHMGQXHCDM-WDZFZDKYSA-N -1 0 337.378 2.091 50 10 EECARM Cc1ccccc1N1C(=O)/C(=C\c2cccn2C)C(=O)[N-]C1=S ZINC000004871712 462640049 /nfs/dbraw/zinc/64/00/49/462640049.db2.gz YJEUTESYFJHDIU-RAXLEYEMSA-N -1 0 325.393 2.165 50 10 EECARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)ccc1O ZINC000013509979 462894067 /nfs/dbraw/zinc/89/40/67/462894067.db2.gz ZTAOSBSMVITRRG-DHZHZOJOSA-N -1 0 332.356 2.051 50 10 EECARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000017043074 462992609 /nfs/dbraw/zinc/99/26/09/462992609.db2.gz POIWLAAVSNYEPA-XNTDXEJSSA-N -1 0 339.326 2.400 50 10 EECARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3cccc(F)c3)c2)C(=O)N1 ZINC000002989673 462608494 /nfs/dbraw/zinc/60/84/94/462608494.db2.gz AAEWZXYCJMUSGM-UHFFFAOYSA-N -1 0 340.310 2.154 50 10 EECARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=CNC1CC1 ZINC000005819361 462669801 /nfs/dbraw/zinc/66/98/01/462669801.db2.gz VXVVGEPCVCICFJ-GXDHUFHOSA-N -1 0 337.404 2.223 50 10 EECARM O=C([O-])CSc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000015106419 462942257 /nfs/dbraw/zinc/94/22/57/462942257.db2.gz WUDRCNVTNZMZAI-UHFFFAOYSA-N -1 0 330.317 2.050 50 10 EECARM COc1c([O-])c2c(O)c(OC)c(-c3ccc(O)c(O)c3)oc-2cc1=O ZINC000006483405 560205904 /nfs/dbraw/zinc/20/59/04/560205904.db2.gz KIGVXRGRNLQNNI-UHFFFAOYSA-N -1 0 346.291 2.300 50 10 biogenic,in-vitro EECARM O=C([O-])CN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000002495189 209857832 /nfs/dbraw/zinc/85/78/32/209857832.db2.gz UXYSDEJVYGRBHB-ZZXKWVIFSA-N -1 0 348.199 2.328 50 10 EECARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1O ZINC000013510717 135701027 /nfs/dbraw/zinc/70/10/27/135701027.db2.gz NDHNSVODXUTNDC-UKTHLTGXSA-N -1 0 338.319 2.067 50 10 EECARM COc1cc(C(=O)Nc2ccc(O)cc2C(=O)[O-])ccc1OC(C)=O ZINC000000367704 462557006 /nfs/dbraw/zinc/55/70/06/462557006.db2.gz CPZAYBBKCUHCEH-UHFFFAOYSA-N -1 0 345.307 2.277 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000001793530 462586838 /nfs/dbraw/zinc/58/68/38/462586838.db2.gz GCQMLHMGQXHCDM-IZZDOVSWSA-N -1 0 337.378 2.091 50 10 EECARM CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1 ZINC000013847648 462905228 /nfs/dbraw/zinc/90/52/28/462905228.db2.gz MYVHXMRTZCFSIZ-YFHOEESVSA-N -1 0 330.344 2.400 50 10 EECARM Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)[N-]C2=S)c1 ZINC000101181227 291845993 /nfs/dbraw/zinc/84/59/93/291845993.db2.gz IEVAXWZCPTVBPX-ZROIWOOFSA-N -1 0 325.393 2.463 50 10 EECARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1 ZINC000017044946 462991876 /nfs/dbraw/zinc/99/18/76/462991876.db2.gz IUNXQTGUWLWPQU-UHFFFAOYSA-N -1 0 327.252 2.445 50 10 EECARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)c1 ZINC000000086778 1218010312 /nfs/dbraw/zinc/01/03/12/1218010312.db2.gz MOGHRCWNYBTQDE-ZROIWOOFSA-N -1 0 326.308 2.263 50 10 EECARM CC1=C(C)C[C@@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@@H]2C1 ZINC000000069790 462540895 /nfs/dbraw/zinc/54/08/95/462540895.db2.gz MQXORJFACIBWPO-OWCLPIDISA-N -1 0 327.380 2.414 50 10 EECARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000000450655 462563221 /nfs/dbraw/zinc/56/32/21/462563221.db2.gz VGJVECNHZBJBEO-NVNXTCNLSA-N -1 0 341.342 2.325 50 10 EECARM O=C([O-])CCN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S ZINC000006660251 462695215 /nfs/dbraw/zinc/69/52/15/462695215.db2.gz QSRVOBYOSXUETN-GHXNOFRVSA-N -1 0 345.405 2.306 50 10 EECARM O=C([O-])CN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S ZINC000002495190 209858279 /nfs/dbraw/zinc/85/82/79/209858279.db2.gz UXYSDEJVYGRBHB-UTCJRWHESA-N -1 0 348.199 2.328 50 10 EECARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1 ZINC000009425488 211083181 /nfs/dbraw/zinc/08/31/81/211083181.db2.gz UUGCITSGYRJKBG-HTXNQAPBSA-N -1 0 334.405 2.455 50 10 EECARM Cc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000033406323 212934736 /nfs/dbraw/zinc/93/47/36/212934736.db2.gz ALTZZBIDMDVUNV-DHZHZOJOSA-N -1 0 343.451 2.084 50 10 EECARM CC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000100068964 219089825 /nfs/dbraw/zinc/08/98/25/219089825.db2.gz YBNMDGUSLZNXPD-WJDWOHSUSA-N -1 0 349.346 2.468 50 10 EECARM CCN1c2ccccc2S/C1=C/C=C1\C(=O)[N-]C(=O)N(C)C1=O ZINC000012139681 211303655 /nfs/dbraw/zinc/30/36/55/211303655.db2.gz AUASOLVSSCIEMS-IAQVKYGWSA-N -1 0 329.381 2.095 50 10 EECARM Cc1cccc(N2C(=O)/C(=C\c3cccn3C)C(=O)[N-]C2=S)c1 ZINC000004825105 281223289 /nfs/dbraw/zinc/22/32/89/281223289.db2.gz YEAXOLZBAXTLHF-UVTDQMKNSA-N -1 0 325.393 2.165 50 10 EECARM O=C1[N-]C(=O)C(=CN=c2[nH]c3ccc4ccccc4c3s2)C(=O)N1 ZINC000013999616 304656183 /nfs/dbraw/zinc/65/61/83/304656183.db2.gz NISCBNLDTYQLSL-UHFFFAOYSA-N -1 0 338.348 2.111 50 10 EECARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccs2)C1=O ZINC000000079526 524535189 /nfs/dbraw/zinc/53/51/89/524535189.db2.gz VIBLEBLZTXFQLD-PKNBQFBNSA-N -1 0 328.349 2.423 50 10 EECARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNN1CCCCC1 ZINC000019995540 284779219 /nfs/dbraw/zinc/77/92/19/284779219.db2.gz MLZBLRXSGLRIAV-RAXLEYEMSA-N -1 0 348.403 2.288 50 10 EECARM