smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC(F)(F)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001602718878 971378218 /nfs/dbraw/zinc/37/82/18/971378218.db2.gz XIRPBXOFWRSUME-QMMMGPOBSA-N -1 0 329.368 3.721 20 30 EHEDRM C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541166 953768384 /nfs/dbraw/zinc/76/83/84/953768384.db2.gz QJBAUFAKRDWEHV-DVVUODLYSA-N -1 0 341.333 3.519 20 30 EHEDRM CC(C)CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(C#N)cc1 ZINC001603024475 972083544 /nfs/dbraw/zinc/08/35/44/972083544.db2.gz RUKNUYQCJIXBBL-NTMALXAHSA-N -1 0 338.363 3.552 20 30 EHEDRM N#CCCCCCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594609237 956192191 /nfs/dbraw/zinc/19/21/91/956192191.db2.gz YCXGPAUMPHXHII-HNNXBMFYSA-N -1 0 328.412 3.531 20 30 EHEDRM Cc1ncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C(C)C)n1 ZINC000080457256 1032067215 /nfs/dbraw/zinc/06/72/15/1032067215.db2.gz XZUQOQVMMHOYME-LBPRGKRZSA-N -1 0 328.441 3.978 20 30 EHEDRM C=CCCCCCN(C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341448745 957998307 /nfs/dbraw/zinc/99/83/07/957998307.db2.gz FKDTUCXQIVEZMJ-IAGOWNOFSA-N -1 0 330.428 3.687 20 30 EHEDRM C=CCCC(C)(C)CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588457048 958443272 /nfs/dbraw/zinc/44/32/72/958443272.db2.gz HMYAJXILQPYZEW-HZPDHXFCSA-N -1 0 330.428 3.591 20 30 EHEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001588469467 958517342 /nfs/dbraw/zinc/51/73/42/958517342.db2.gz JKGHMXUYODWUAD-QGZVFWFLSA-N -1 0 340.379 3.507 20 30 EHEDRM N#Cc1ccc(N2Cc3ccc(C(=O)[O-])cc3C2)c(Br)c1 ZINC000156629920 959052265 /nfs/dbraw/zinc/05/22/65/959052265.db2.gz LURBHHOBVLINMT-UHFFFAOYSA-N -1 0 343.180 3.539 20 30 EHEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001594257191 959660423 /nfs/dbraw/zinc/66/04/23/959660423.db2.gz HBLZSHSJCLIQNM-CYBMUJFWSA-N -1 0 344.436 3.558 20 30 EHEDRM CC(C)C[C@H](CNc1cc(C(F)(F)F)cc(C#N)n1)CC(=O)[O-] ZINC001588898636 962236980 /nfs/dbraw/zinc/23/69/80/962236980.db2.gz OBIUXZYCKURDPD-JTQLQIEISA-N -1 0 329.322 3.521 20 30 EHEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC001573323362 962771252 /nfs/dbraw/zinc/77/12/52/962771252.db2.gz AFYFINKVBNSNCL-CQSZACIVSA-N -1 0 344.436 3.522 20 30 EHEDRM C=C[C@@H](CC(=O)Nc1c(F)c(OC)ccc1C(=O)[O-])c1ccccc1 ZINC001573348201 962955232 /nfs/dbraw/zinc/95/52/32/962955232.db2.gz UCLJJHCJLQIIMC-LBPRGKRZSA-N -1 0 343.354 3.831 20 30 EHEDRM C=CC[C@@H]1CCCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C1 ZINC001573353173 962997516 /nfs/dbraw/zinc/99/75/16/962997516.db2.gz QKTOASQEMYTMRK-GFCCVEGCSA-N -1 0 331.441 3.799 20 30 EHEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573358120 963024381 /nfs/dbraw/zinc/02/43/81/963024381.db2.gz XDDJYPADKNESGU-DVFVSVACSA-N -1 0 325.364 3.815 20 30 EHEDRM C=CCCC[C@@H](NC(=O)c1coc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001573366923 963062364 /nfs/dbraw/zinc/06/23/64/963062364.db2.gz PWLFOMGZVUGZPV-CYBMUJFWSA-N -1 0 348.786 3.534 20 30 EHEDRM C#CCCCCCC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001588440789 964044560 /nfs/dbraw/zinc/04/45/60/964044560.db2.gz QONDXNWRAQIIJH-YWZLYKJASA-N -1 0 327.424 3.564 20 30 EHEDRM C#CCCCCCC(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001588440787 964045805 /nfs/dbraw/zinc/04/58/05/964045805.db2.gz QONDXNWRAQIIJH-MGPUTAFESA-N -1 0 327.424 3.564 20 30 EHEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2cccs2)c(C)s1 ZINC000049501756 1014219591 /nfs/dbraw/zinc/21/95/91/1014219591.db2.gz NBLXOCQLFHMLAE-AATRIKPKSA-N -1 0 327.452 3.785 20 30 EHEDRM C=C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659195059 975797268 /nfs/dbraw/zinc/79/72/68/975797268.db2.gz WEJVWYPDJLJNJW-BVBHFADKSA-N -1 0 341.451 3.838 20 30 EHEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc2nc(C)ccc2c1 ZINC000783522454 978793340 /nfs/dbraw/zinc/79/33/40/978793340.db2.gz RMQAHPUXGHZCAW-UHFFFAOYSA-N -1 0 335.363 3.696 20 30 EHEDRM Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccccc1C(=O)[O-] ZINC000812444565 978870016 /nfs/dbraw/zinc/87/00/16/978870016.db2.gz JOSQZSDVQFPNKQ-UHFFFAOYSA-N -1 0 334.379 3.633 20 30 EHEDRM Cc1c(Cl)cccc1NC(=S)NN=C1CCC(C(=O)[O-])CC1 ZINC000814721627 978877110 /nfs/dbraw/zinc/87/71/10/978877110.db2.gz MTPDDGZINVCWMV-UHFFFAOYSA-N -1 0 339.848 3.566 20 30 EHEDRM CO[C@@H]1C[C@@H](c2ccccc2)CCC1N=Nc1ccc(C(=O)[O-])cn1 ZINC000814890790 978897420 /nfs/dbraw/zinc/89/74/20/978897420.db2.gz ZXJIRQNUAUNLJU-WMLDXEAASA-N -1 0 339.395 3.530 20 30 EHEDRM C[C@H](COc1ccccc1)NN=C1CCC[C@H](CCCC(=O)[O-])C1 ZINC001592782832 979420000 /nfs/dbraw/zinc/42/00/00/979420000.db2.gz MNYVNNVQPCYRJT-HZPDHXFCSA-N -1 0 332.444 3.845 20 30 EHEDRM C[C@H](Cc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1)C(=O)[O-] ZINC001592857475 979665036 /nfs/dbraw/zinc/66/50/36/979665036.db2.gz JYIPWWPTZAWJME-RDTXWAMCSA-N -1 0 336.391 3.586 20 30 EHEDRM CC[C@@H](COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001595182565 979806524 /nfs/dbraw/zinc/80/65/24/979806524.db2.gz ICRBMLKURGJMAT-AWEZNQCLSA-N -1 0 339.347 3.618 20 30 EHEDRM CC[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC001595351443 980657411 /nfs/dbraw/zinc/65/74/11/980657411.db2.gz DPZBHOBWGGVRKK-HNNXBMFYSA-N -1 0 343.310 3.510 20 30 EHEDRM C=CCN(Cc1cc(C(=O)[O-])c(CC)o1)Cc1ccc(OC)cc1 ZINC000902153760 980760797 /nfs/dbraw/zinc/76/07/97/980760797.db2.gz JWJWBEDUWHLERV-UHFFFAOYSA-N -1 0 329.396 3.737 20 30 EHEDRM C=C(C)COc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000908776904 981360848 /nfs/dbraw/zinc/36/08/48/981360848.db2.gz YEHICXBYGJVIEL-UHFFFAOYSA-N -1 0 329.396 3.615 20 30 EHEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000909122503 981421283 /nfs/dbraw/zinc/42/12/83/981421283.db2.gz KUTOBTCMLCXRHU-WFASDCNBSA-N -1 0 331.393 3.519 20 30 EHEDRM C=C[C@](C)(CC)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000909628513 981556465 /nfs/dbraw/zinc/55/64/65/981556465.db2.gz KAUYFRLYRAJTHN-HDMKZQKVSA-N -1 0 335.831 3.569 20 30 EHEDRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001594759295 981686848 /nfs/dbraw/zinc/68/68/48/981686848.db2.gz GWGACZGKJSPTKG-CYBMUJFWSA-N -1 0 342.326 3.539 20 30 EHEDRM CCCC[C@@H](SCC[C@](C#N)(C(C)=O)c1ccccc1)C(=O)[O-] ZINC001595655831 982048876 /nfs/dbraw/zinc/04/88/76/982048876.db2.gz PVBMNMSVJQKWPP-AEFFLSMTSA-N -1 0 333.453 3.804 20 30 EHEDRM C=CC(C)(C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910953390 982175434 /nfs/dbraw/zinc/17/54/34/982175434.db2.gz APMDIWRXRZMYPG-UHFFFAOYSA-N -1 0 340.423 3.784 20 30 EHEDRM CCCCCCC[C@H](C)CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595705016 982281869 /nfs/dbraw/zinc/28/18/69/982281869.db2.gz NRSONHXIPDUNAY-NNXHMXCWSA-N -1 0 338.492 3.782 20 30 EHEDRM C#C[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588378092 983360897 /nfs/dbraw/zinc/36/08/97/983360897.db2.gz UOQLDRPEHKMQQM-INIZCTEOSA-N -1 0 345.757 3.590 20 30 EHEDRM C#Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(Cl)c1 ZINC001588517227 983564127 /nfs/dbraw/zinc/56/41/27/983564127.db2.gz PIWKCRYRVBRCEX-UHFFFAOYSA-N -1 0 331.799 3.685 20 30 EHEDRM C=C(C)C(C)(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588529604 983581775 /nfs/dbraw/zinc/58/17/75/983581775.db2.gz BDWXHDNANJBSLZ-UHFFFAOYSA-N -1 0 344.180 3.827 20 30 EHEDRM C=C(C)C[C@@H](C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588536065 983592118 /nfs/dbraw/zinc/59/21/18/983592118.db2.gz NWNQRVHWYMQNDQ-MRVPVSSYSA-N -1 0 344.180 3.827 20 30 EHEDRM C=C(C)COc1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001588573187 983651785 /nfs/dbraw/zinc/65/17/85/983651785.db2.gz ATEHJLFBAPIDSE-UHFFFAOYSA-N -1 0 339.391 3.911 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001588615190 983710517 /nfs/dbraw/zinc/71/05/17/983710517.db2.gz MFOTXUMUKZQODT-SFHVURJKSA-N -1 0 335.831 3.685 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC001588622039 983721846 /nfs/dbraw/zinc/72/18/46/983721846.db2.gz OAXUBPYWDMCIDO-IBGZPJMESA-N -1 0 337.419 3.898 20 30 EHEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)c1 ZINC000126870556 1014972775 /nfs/dbraw/zinc/97/27/75/1014972775.db2.gz MJUVARFSRFYUND-UHFFFAOYSA-N -1 0 344.440 3.520 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC001588629717 983739149 /nfs/dbraw/zinc/73/91/49/983739149.db2.gz ROYFJYAYOUHHDZ-UHFFFAOYSA-N -1 0 348.418 3.954 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccccc1Oc1cccc(C)c1 ZINC001588630202 983742170 /nfs/dbraw/zinc/74/21/70/983742170.db2.gz UHMUQOPWCRAGQT-UHFFFAOYSA-N -1 0 339.391 3.825 20 30 EHEDRM C=CC(C)(C)CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588677167 983833721 /nfs/dbraw/zinc/83/37/21/983833721.db2.gz VSASCXBGRURJQH-HNNXBMFYSA-N -1 0 332.444 3.740 20 30 EHEDRM C=CCC[C@@H](NC(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001588778435 984160449 /nfs/dbraw/zinc/16/04/49/984160449.db2.gz AGDSEOVEOOWXAX-MRXNPFEDSA-N -1 0 342.395 3.793 20 30 EHEDRM C=CCCC[C@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC001588792906 984214353 /nfs/dbraw/zinc/21/43/53/984214353.db2.gz PMXWGBNEDJKWNO-ZDUSSCGKSA-N -1 0 341.860 3.991 20 30 EHEDRM C=CCCC[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001588793712 984221406 /nfs/dbraw/zinc/22/14/06/984221406.db2.gz XXLTWFGYUJSISO-LBPRGKRZSA-N -1 0 347.358 3.838 20 30 EHEDRM C=CCCC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001588794180 984225465 /nfs/dbraw/zinc/22/54/65/984225465.db2.gz NMCQYANLLSRDKE-INIZCTEOSA-N -1 0 339.395 3.999 20 30 EHEDRM C=CCCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001588794181 984225520 /nfs/dbraw/zinc/22/55/20/984225520.db2.gz NMCQYANLLSRDKE-MRXNPFEDSA-N -1 0 339.395 3.999 20 30 EHEDRM C=CCCCN(CC)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001588801220 984244207 /nfs/dbraw/zinc/24/42/07/984244207.db2.gz AOZDNIOVHRVOOX-UHFFFAOYSA-N -1 0 336.457 3.824 20 30 EHEDRM C=CCOc1ccc(CC(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001588873992 984446988 /nfs/dbraw/zinc/44/69/88/984446988.db2.gz QLHWJVDTNLVBMR-UHFFFAOYSA-N -1 0 331.393 3.501 20 30 EHEDRM CC#CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588925232 984585860 /nfs/dbraw/zinc/58/58/60/984585860.db2.gz NKWURVDCFGCTNQ-OAHLLOKOSA-N -1 0 342.222 3.771 20 30 EHEDRM Cc1c(C#N)cccc1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001599975157 986077402 /nfs/dbraw/zinc/07/74/02/986077402.db2.gz UIVKEEVTFZYZPE-UHFFFAOYSA-N -1 0 345.354 3.866 20 30 EHEDRM C[C@@H](C(=O)[O-])c1cccc(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC001589539225 987234375 /nfs/dbraw/zinc/23/43/75/987234375.db2.gz DXJFILBQCNTSAK-OAHLLOKOSA-N -1 0 337.423 3.837 20 30 EHEDRM CC(C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001589579277 987358183 /nfs/dbraw/zinc/35/81/83/987358183.db2.gz HTTLBAUSMSYGDP-UHFFFAOYSA-N -1 0 342.782 3.826 20 30 EHEDRM CC(C)(C)c1csc(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])c1C#N ZINC001590537444 990154703 /nfs/dbraw/zinc/15/47/03/990154703.db2.gz WTIGCVZUBPKJDG-NSHDSACASA-N -1 0 349.456 3.540 20 30 EHEDRM CC(C)(c1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccc(C#N)cc1 ZINC001590907298 990872787 /nfs/dbraw/zinc/87/27/87/990872787.db2.gz PCDRLDXTZNFPKO-UHFFFAOYSA-N -1 0 333.347 3.632 20 30 EHEDRM CC(C)CN(CCC#N)Cc1cc(C(=O)[O-])ccc1Br ZINC001591321804 992290434 /nfs/dbraw/zinc/29/04/34/992290434.db2.gz IXTLJKMWGKZTQN-UHFFFAOYSA-N -1 0 339.233 3.519 20 30 EHEDRM COc1ccc(C#N)cc1CSCc1ccc(C(=O)[O-])cc1F ZINC001599476414 998538538 /nfs/dbraw/zinc/53/85/38/998538538.db2.gz BSDUTNQOJYWNGU-UHFFFAOYSA-N -1 0 331.368 3.838 20 30 EHEDRM C=C(C)CN(Cc1ccccc1)C(=O)N=c1nc(CCC)[n-]s1 ZINC000579888247 1016345388 /nfs/dbraw/zinc/34/53/88/1016345388.db2.gz PEFHMEYCNKHOBP-UHFFFAOYSA-N -1 0 330.457 3.523 20 30 EHEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000189164697 1016455592 /nfs/dbraw/zinc/45/55/92/1016455592.db2.gz HPYWZCWXCYNVFH-UHFFFAOYSA-N -1 0 346.390 3.627 20 30 EHEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C3CC3)c(C)c2)cc1C#N ZINC000547817819 1016772680 /nfs/dbraw/zinc/77/26/80/1016772680.db2.gz FNTQUBLPFDDRIQ-UHFFFAOYSA-N -1 0 339.420 3.819 20 30 EHEDRM 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COCc1cccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC000172817340 1129014776 /nfs/dbraw/zinc/01/47/76/1129014776.db2.gz PTRJCAQPXWQPBG-NTEUORMPSA-N -1 0 326.348 3.645 20 30 EHEDRM Cc1c(C(=O)[O-])oc2c1C(=NNCc1cccc3cccnc31)CCC2 ZINC000915959509 1121993679 /nfs/dbraw/zinc/99/36/79/1121993679.db2.gz OACPOXSKTKTAOZ-UHFFFAOYSA-N -1 0 349.390 3.665 20 30 EHEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000915990951 1122013078 /nfs/dbraw/zinc/01/30/78/1122013078.db2.gz TUCASGMIKTZQQR-YHYXMXQVSA-N -1 0 345.192 3.972 20 30 EHEDRM C=CCOc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000916157820 1122076164 /nfs/dbraw/zinc/07/61/64/1122076164.db2.gz VZLVBMADRQUOIO-FLIBITNWSA-N -1 0 338.359 3.611 20 30 EHEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000063340842 1122280760 /nfs/dbraw/zinc/28/07/60/1122280760.db2.gz RMLRJFKNKQNYIT-UHFFFAOYSA-N -1 0 346.770 3.782 20 30 EHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(C(C)C)nc1C ZINC000916874400 1122376916 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Cc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2C)cc1 ZINC000069522438 1124845557 /nfs/dbraw/zinc/84/55/57/1124845557.db2.gz ASACDBYATCROSH-UHFFFAOYSA-N -1 0 347.436 3.808 20 30 EHEDRM N#Cc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1Cl ZINC000619743293 1125392827 /nfs/dbraw/zinc/39/28/27/1125392827.db2.gz XQDDBJVQYPHHAL-UHFFFAOYSA-N -1 0 348.830 3.643 20 30 EHEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000338857051 1129540995 /nfs/dbraw/zinc/54/09/95/1129540995.db2.gz BJSCMGVVSNDCLE-CYBMUJFWSA-N -1 0 344.296 3.775 20 30 EHEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000509073466 1129721601 /nfs/dbraw/zinc/72/16/01/1129721601.db2.gz BOKNDGYXHJYXNH-UHFFFAOYSA-N -1 0 347.436 3.678 20 30 EHEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000732596474 1130937467 /nfs/dbraw/zinc/93/74/67/1130937467.db2.gz USVJFCIKSCVKTP-HNNXBMFYSA-N -1 0 340.467 3.883 20 30 EHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2ccc(F)cc2F)c1[O-] ZINC000732622556 1130942935 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20 30 EHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)s1 ZINC000741847390 1131655952 /nfs/dbraw/zinc/65/59/52/1131655952.db2.gz GCPSCSOPPIWGTC-UTCJRWHESA-N -1 0 338.331 3.986 20 30 EHEDRM N#Cc1ccc2c(c1)CC/C(=C/c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000742437697 1131730569 /nfs/dbraw/zinc/73/05/69/1131730569.db2.gz PHDGAUSUQCGJFF-YVLHZVERSA-N -1 0 347.370 3.624 20 30 EHEDRM COc1ccc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1C ZINC000745021109 1132181702 /nfs/dbraw/zinc/18/17/02/1132181702.db2.gz MHNZTIQDRGQVEO-LEJCZOIISA-N -1 0 340.375 3.752 20 30 EHEDRM O=C1c2ccc(O)cc2C/C1=C/c1cnn(Cc2ccc(F)cc2)c1 ZINC000187230113 1132454085 /nfs/dbraw/zinc/45/40/85/1132454085.db2.gz VVWOSCMSQZGONM-APSNUPSMSA-N -1 0 334.350 3.599 20 30 EHEDRM N#Cc1cc(Nc2cccc(C(=O)[O-])c2)c(Br)cc1F ZINC001175331820 1132641232 /nfs/dbraw/zinc/64/12/32/1132641232.db2.gz YEQVOLJBCRDJBJ-UHFFFAOYSA-N -1 0 335.132 3.902 20 30 EHEDRM N#Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1Cl ZINC001176679081 1132981276 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EHEDRM CC(=NOC1CCOCC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000774450152 1133680612 /nfs/dbraw/zinc/68/06/12/1133680612.db2.gz BSJFZGALVQTMIJ-UHFFFAOYSA-N -1 0 329.352 3.564 20 30 EHEDRM N#Cc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1[O-] ZINC000785585040 1133721970 /nfs/dbraw/zinc/72/19/70/1133721970.db2.gz XKNJSESFXLRFOM-UHFFFAOYSA-N -1 0 335.407 3.897 20 30 EHEDRM CC(=NNc1cc(C)ccn1)c1cc(Br)c(F)cc1[O-] ZINC000746578394 1133835614 /nfs/dbraw/zinc/83/56/14/1133835614.db2.gz MPRBGVFHNLCIII-UHFFFAOYSA-N -1 0 338.180 3.833 20 30 EHEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(Cl)ccc2C)c1 ZINC000786551563 1133873856 /nfs/dbraw/zinc/87/38/56/1133873856.db2.gz YTIFSUYCISZKTB-KRWDZBQOSA-N -1 0 340.810 3.596 20 30 EHEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCCC3)c1 ZINC000786553595 1133874978 /nfs/dbraw/zinc/87/49/78/1133874978.db2.gz WVQCWKWGWJLXOO-FQEVSTJZSA-N -1 0 346.430 3.513 20 30 EHEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cccc(OC(F)(F)F)c1F ZINC001184245291 1133914675 /nfs/dbraw/zinc/91/46/75/1133914675.db2.gz 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Cc1nc2cc(Cl)c(NC(=O)c3ccc(C#N)cc3[O-])cc2o1 ZINC001195759096 1135461151 /nfs/dbraw/zinc/46/11/51/1135461151.db2.gz WDUCCBNWKZWSHU-UHFFFAOYSA-N -1 0 327.727 3.619 20 30 EHEDRM COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c(C)c1OC ZINC000806571609 1135463202 /nfs/dbraw/zinc/46/32/02/1135463202.db2.gz XIAZLKUQVNVTKJ-GQCTYLIASA-N -1 0 332.377 3.668 20 30 EHEDRM N#Cc1ccc(C(=O)N2CCC3(CCCc4ccccc43)CC2)c([O-])c1 ZINC001195741273 1135465156 /nfs/dbraw/zinc/46/51/56/1135465156.db2.gz RGKMIAKMWKQWKZ-UHFFFAOYSA-N -1 0 346.430 3.774 20 30 EHEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196452771 1135569038 /nfs/dbraw/zinc/56/90/38/1135569038.db2.gz HYZZMWKFGCQFHL-UHFFFAOYSA-N -1 0 335.766 3.865 20 30 EHEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc(C2CCC2)c1 ZINC001196651840 1135593495 /nfs/dbraw/zinc/59/34/95/1135593495.db2.gz KVGFUCSVMWIZHB-UHFFFAOYSA-N -1 0 347.827 3.675 20 30 EHEDRM N#Cc1ccc2c(c1)CC[C@H]2/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775741982 1135604215 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EHEDRM C#Cc1cccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000054893047 1041063593 /nfs/dbraw/zinc/06/35/93/1041063593.db2.gz PNAYEZUVPVVDBF-AWQFTUOYSA-N -1 0 347.201 3.738 20 30 EHEDRM CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000571410825 1041289258 /nfs/dbraw/zinc/28/92/58/1041289258.db2.gz XBPVCNOGCOEASD-JTQLQIEISA-N -1 0 344.321 3.862 20 30 EHEDRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1C ZINC000086054579 1041427785 /nfs/dbraw/zinc/42/77/85/1041427785.db2.gz BXOQOURPQJPURT-UHFFFAOYSA-N -1 0 339.457 3.691 20 30 EHEDRM CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C12CCC2 ZINC000125180117 1041913918 /nfs/dbraw/zinc/91/39/18/1041913918.db2.gz YQNSUTUCPBJZGV-LQZLSNDWSA-N -1 0 338.791 3.720 20 30 EHEDRM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000344584339 1044158870 /nfs/dbraw/zinc/15/88/70/1044158870.db2.gz VXHOTOJZFJUBRX-LBPRGKRZSA-N -1 0 341.323 3.834 20 30 EHEDRM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000344879256 1044642231 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Cc1c2ccc(F)cc2sc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000517429073 1128875099 /nfs/dbraw/zinc/87/50/99/1128875099.db2.gz YFBSEEMLWPXGTG-UHFFFAOYSA-N -1 0 342.399 3.672 20 30 EHEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)c1 ZINC000191847914 1120699223 /nfs/dbraw/zinc/69/92/23/1120699223.db2.gz NCHOTMCPANSGRX-UHFFFAOYSA-N -1 0 349.824 3.622 20 30 EHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Br)s2)c1 ZINC000914558025 1120896104 /nfs/dbraw/zinc/89/61/04/1120896104.db2.gz PGNRHNPGTKRADE-NSIKDUERSA-N -1 0 341.186 3.744 20 30 EHEDRM CCSc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000153527994 1121260687 /nfs/dbraw/zinc/26/06/87/1121260687.db2.gz ITWUXOOWRKVLFE-HNNXBMFYSA-N -1 0 340.452 3.607 20 30 EHEDRM Cc1ccc2c(c1)[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])CO2 ZINC000763096421 1121678357 /nfs/dbraw/zinc/67/83/57/1121678357.db2.gz ILXCLOFUJNGHFZ-BPGOPIFBSA-N -1 0 332.743 3.815 20 30 EHEDRM COc1ccc2oc(/C=C/C(=O)c3ccc(CC(=O)[O-])cc3)cc2c1 ZINC000763290469 1121945220 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COc1cccc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1 ZINC000916871667 1122374903 /nfs/dbraw/zinc/37/49/03/1122374903.db2.gz VWUJMHWMLMVLIQ-HNNXBMFYSA-N -1 0 339.416 3.841 20 30 EHEDRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000498487856 1122943355 /nfs/dbraw/zinc/94/33/55/1122943355.db2.gz DYXFYPMVQAOXKR-UHFFFAOYSA-N -1 0 348.399 3.675 20 30 EHEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000556865491 1123153274 /nfs/dbraw/zinc/15/32/74/1123153274.db2.gz VGLUYDVIACVQJC-LLVKDONJSA-N -1 0 335.285 3.764 20 30 EHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]nc2C(C)(C)C)s1 ZINC000499182005 1123265025 /nfs/dbraw/zinc/26/50/25/1123265025.db2.gz ZVARBPLNMCFRMG-JTQLQIEISA-N -1 0 330.457 3.951 20 30 EHEDRM CCCCSCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000920105404 1123292633 /nfs/dbraw/zinc/29/26/33/1123292633.db2.gz FTXWUSXVSXYJLZ-AWEZNQCLSA-N -1 0 328.437 3.901 20 30 EHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)s1 ZINC000920755428 1123420251 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Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)Cc2ccccc2F)c1C ZINC000069603726 1124932067 /nfs/dbraw/zinc/93/20/67/1124932067.db2.gz HJPSNVUXRBYIHA-UHFFFAOYSA-N -1 0 349.427 3.947 20 30 EHEDRM N#CC(=C([O-])C=CC1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000112222769 1125320228 /nfs/dbraw/zinc/32/02/28/1125320228.db2.gz IABOIGOIGOOIPF-MOEXGYKKSA-N -1 0 338.432 3.969 20 30 EHEDRM O=C(Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)C1CCCC1 ZINC000086056504 1129311288 /nfs/dbraw/zinc/31/12/88/1129311288.db2.gz RFLTYRPWZCMEFX-UHFFFAOYSA-N -1 0 336.240 3.765 20 30 EHEDRM N#Cc1ccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)nc1 ZINC000156598671 1129727287 /nfs/dbraw/zinc/72/72/87/1129727287.db2.gz SUIXTXYSEKRSIJ-UHFFFAOYSA-N -1 0 342.569 3.871 20 30 EHEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(SC(F)F)cc1 ZINC000073838328 1129756780 /nfs/dbraw/zinc/75/67/80/1129756780.db2.gz UMKBTRKNCQGSKB-UHFFFAOYSA-N -1 0 337.413 3.824 20 30 EHEDRM COC(=O)c1ccc(/C=C/C(=O)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000766034094 1129868901 /nfs/dbraw/zinc/86/89/01/1129868901.db2.gz MZTBLXAYBWBFSV-HWKANZROSA-N -1 0 340.162 3.710 20 30 EHEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(F)c2F)c1)C(=O)[O-] ZINC000730730444 1130731614 /nfs/dbraw/zinc/73/16/14/1130731614.db2.gz ZMXAPLUPSCYXGN-TYBABMIJSA-N -1 0 332.302 3.713 20 30 EHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2CCOc3ccccc32)c1[O-] ZINC000731155180 1130773934 /nfs/dbraw/zinc/77/39/34/1130773934.db2.gz BQUHJXCUIDXEIL-VURRPDKYSA-N -1 0 346.770 3.939 20 30 EHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2ccc(F)cc2F)c1[O-] ZINC000732622559 1130943098 /nfs/dbraw/zinc/94/30/98/1130943098.db2.gz RZBJVJNXKLRLLT-UWVJOHFNSA-N -1 0 340.713 3.894 20 30 EHEDRM O=c1[nH]c2c(cc1CN=Cc1cc(Cl)cc(Cl)c1[O-])CCC2 ZINC000733081456 1130989158 /nfs/dbraw/zinc/98/91/58/1130989158.db2.gz YZEHBLCHUSRHEF-GXHLCREISA-N -1 0 337.206 3.907 20 30 EHEDRM COc1cc(/C=C\C(=O)c2cccc(C)c2C)ccc1OCC(=O)[O-] ZINC000734305524 1131218118 /nfs/dbraw/zinc/21/81/18/1131218118.db2.gz WQXBUGPLJQDNAN-CLFYSBASSA-N -1 0 340.375 3.672 20 30 EHEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1C ZINC000194905480 1132491721 /nfs/dbraw/zinc/49/17/21/1132491721.db2.gz UQPWXUQRZGNEDM-MRXNPFEDSA-N -1 0 346.415 3.819 20 30 EHEDRM N#Cc1ccc(Br)c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174957211 1132518481 /nfs/dbraw/zinc/51/84/81/1132518481.db2.gz WYZQQJCBQAZBRI-UHFFFAOYSA-N -1 0 331.169 3.691 20 30 EHEDRM C=CCCN(Cc1nc(=O)c2sccc2[n-]1)OCc1ccccc1 ZINC001169451348 1132759309 /nfs/dbraw/zinc/75/93/09/1132759309.db2.gz IBEINKJLVXBKTE-UHFFFAOYSA-N -1 0 341.436 3.907 20 30 EHEDRM CC(C)(C#N)c1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680635 1132982199 /nfs/dbraw/zinc/98/21/99/1132982199.db2.gz VCYFGGCCGFCXSB-UHFFFAOYSA-N -1 0 325.324 3.838 20 30 EHEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663271 1132986993 /nfs/dbraw/zinc/98/69/93/1132986993.db2.gz FGHHGMHSDGZCIT-UHFFFAOYSA-N -1 0 348.259 3.750 20 30 EHEDRM O=C(C#Cc1ccc(F)cc1F)Nc1ccc2[n-]c(=S)sc2c1 ZINC001178573688 1133182730 /nfs/dbraw/zinc/18/27/30/1133182730.db2.gz UKXUKXLFIOMAPP-UHFFFAOYSA-N -1 0 346.383 3.853 20 30 EHEDRM CC(C)(C)n1ncc2c1nc(N=NCC1CCCCCC1)[n-]c2=O ZINC000769810383 1133349553 /nfs/dbraw/zinc/34/95/53/1133349553.db2.gz PKEYZPMAJRUJGE-UHFFFAOYSA-N -1 0 330.436 3.655 20 30 EHEDRM COc1ccc(C#CC(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001182049160 1133568759 /nfs/dbraw/zinc/56/87/59/1133568759.db2.gz XYRSOIPBWHPWJY-UHFFFAOYSA-N -1 0 340.429 3.584 20 30 EHEDRM Cc1ccccc1N=C1NC(=O)/C(=C/c2cccc(C(=O)[O-])c2)S1 ZINC000774118894 1133614103 /nfs/dbraw/zinc/61/41/03/1133614103.db2.gz DKAUPHNALVOKBA-GDNBJRDFSA-N -1 0 338.388 3.585 20 30 EHEDRM C=CCOc1ccccc1[C@@H](C)NC(=O)Cc1ccc([S-])cc1 ZINC001183189044 1133776842 /nfs/dbraw/zinc/77/68/42/1133776842.db2.gz CSCDLKAVAOBFCH-CQSZACIVSA-N -1 0 327.449 3.960 20 30 EHEDRM O=C([O-])COc1ccccc1C=NNc1ccc(C(F)(F)F)cc1 ZINC000746577495 1133835556 /nfs/dbraw/zinc/83/55/56/1133835556.db2.gz GOYRXYMJANDSSD-UHFFFAOYSA-N -1 0 338.285 3.615 20 30 EHEDRM Cc1c(Cl)cccc1C([O-])=C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000786514078 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EHEDRM CCCCC[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001595687169 982178817 /nfs/dbraw/zinc/17/88/17/982178817.db2.gz NKENNROICYLJTL-HNNXBMFYSA-N -1 0 340.383 3.586 20 30 EHEDRM CCCCCCCCNC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001595704513 982276127 /nfs/dbraw/zinc/27/61/27/982276127.db2.gz RTJWGGLUEBRMGP-UHFFFAOYSA-N -1 0 341.839 3.593 20 30 EHEDRM CCCCCCCCC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001595704809 982279856 /nfs/dbraw/zinc/27/98/56/982279856.db2.gz HVRHCHJETNIVRA-CYBMUJFWSA-N -1 0 346.427 3.809 20 30 EHEDRM CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595885675 982907597 /nfs/dbraw/zinc/90/75/97/982907597.db2.gz ABNROFIBATVXJS-LBPRGKRZSA-N -1 0 329.425 3.686 20 30 EHEDRM C#C[C@@H](NCc1cc(C(=O)[O-])c(CC)o1)c1ccc(Cl)cc1F ZINC001588377078 983355171 /nfs/dbraw/zinc/35/51/71/983355171.db2.gz ITNAXAAOOIWFRU-OAHLLOKOSA-N -1 0 335.762 3.797 20 30 EHEDRM C#C[C@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC001588377703 983358846 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C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001588614618 983708309 /nfs/dbraw/zinc/70/83/09/983708309.db2.gz YSGCWXDHUMKVLZ-AWEZNQCLSA-N -1 0 335.831 3.856 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC001588633682 983750890 /nfs/dbraw/zinc/75/08/90/983750890.db2.gz MPYIXUIKDYCBQZ-UHFFFAOYSA-N -1 0 344.411 3.565 20 30 EHEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588644257 983769136 /nfs/dbraw/zinc/76/91/36/983769136.db2.gz LUQWVSLHEXNKFW-XYPHTWIQSA-N -1 0 328.412 3.665 20 30 EHEDRM C=CC[C@@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC001588722330 983974368 /nfs/dbraw/zinc/97/43/68/983974368.db2.gz YJIHCJSUMRBMFL-CQSZACIVSA-N -1 0 335.363 3.560 20 30 EHEDRM C=CC[C@H](CC)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588735823 984020748 /nfs/dbraw/zinc/02/07/48/984020748.db2.gz MNTLENSJUJZNPE-VIFPVBQESA-N -1 0 341.205 3.624 20 30 EHEDRM C=CCC1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCOCC1 ZINC001588765231 984125545 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EHEDRM N#Cc1ccc([O-])c(NC(=O)Nc2cccc(Br)c2)c1 ZINC001187464088 1134337989 /nfs/dbraw/zinc/33/79/89/1134337989.db2.gz KEAVIELEECFJHO-UHFFFAOYSA-N -1 0 332.157 3.670 20 30 EHEDRM CCCCCCCCS(=O)(=O)[N-]c1ncnc2sccc21 ZINC001187993143 1134409412 /nfs/dbraw/zinc/40/94/12/1134409412.db2.gz KPBLFHXMAVWNBQ-UHFFFAOYSA-N -1 0 327.475 3.794 20 30 EHEDRM N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588380 1134485633 /nfs/dbraw/zinc/48/56/33/1134485633.db2.gz PLZNQWKGBRCWGY-OAHLLOKOSA-N -1 0 346.308 3.700 20 30 EHEDRM CC(C)C[C@@](C)(C#N)NC(=O)c1cc(Br)ccc1[S-] ZINC001189978937 1134645912 /nfs/dbraw/zinc/64/59/12/1134645912.db2.gz QEXMSZRJFSGDSN-AWEZNQCLSA-N -1 0 341.274 3.796 20 30 EHEDRM N#CCSc1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000792110948 1134651390 /nfs/dbraw/zinc/65/13/90/1134651390.db2.gz VUCIWHFTOQVDAG-AWEZNQCLSA-N -1 0 344.399 3.736 20 30 EHEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190469306 1134705834 /nfs/dbraw/zinc/70/58/34/1134705834.db2.gz 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349.390 3.923 20 30 EHEDRM Cc1ccc(F)c(N=NC(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000814872052 1136518792 /nfs/dbraw/zinc/51/87/92/1136518792.db2.gz CHXBRALKSXXZPU-ZDUSSCGKSA-N -1 0 330.359 3.822 20 30 EHEDRM C[C@@H]1C(N=Nc2ncnc3ccsc32)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814879504 1136519215 /nfs/dbraw/zinc/51/92/15/1136519215.db2.gz DGMCWGZGKIIOCS-ZJUUUORDSA-N -1 0 332.429 3.616 20 30 EHEDRM C[C@@H]1C(N=Nc2cc(C#N)cc(Cl)n2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814891202 1136520781 /nfs/dbraw/zinc/52/07/81/1136520781.db2.gz PPCARMMLQPTBOJ-KOLCDFICSA-N -1 0 334.807 3.531 20 30 EHEDRM COc1ccc2nc(N=NC3CC[C@@H](C(=O)[O-])C[C@@H]3C)c(C)cc2c1 ZINC000814899413 1136521945 /nfs/dbraw/zinc/52/19/45/1136521945.db2.gz VIBQVFNQXLMMAJ-WCQYABFASA-N -1 0 341.411 3.841 20 30 EHEDRM CC(=NNCC1CCCC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814933523 1136526586 /nfs/dbraw/zinc/52/65/86/1136526586.db2.gz QRRRRRVPCVATBQ-UHFFFAOYSA-N -1 0 328.412 3.872 20 30 EHEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748042191 1136667849 /nfs/dbraw/zinc/66/78/49/1136667849.db2.gz GOEBFZGJVFSGPJ-UHFFFAOYSA-N -1 0 335.737 3.599 20 30 EHEDRM C=CCC1(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)CCC1 ZINC000816110218 1136677698 /nfs/dbraw/zinc/67/76/98/1136677698.db2.gz VRAPSHACTVZLTP-INIZCTEOSA-N -1 0 335.469 3.576 20 30 EHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)C(F)(F)F ZINC000860451539 1137060559 /nfs/dbraw/zinc/06/05/59/1137060559.db2.gz FDSWBLJTMOGXMK-CABZTGNLSA-N -1 0 336.313 3.956 20 30 EHEDRM CCC[C@@H](OCC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000860451535 1137060684 /nfs/dbraw/zinc/06/06/84/1137060684.db2.gz FCLVHTMDLRGWKP-GOEBONIOSA-N -1 0 326.396 3.573 20 30 EHEDRM C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000864182577 1137218149 /nfs/dbraw/zinc/21/81/49/1137218149.db2.gz AQDKEWLPEYPPLP-ZACQAIPSSA-N -1 0 343.810 3.655 20 30 EHEDRM C=C(Cl)C[C@H](NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC000864185669 1137218507 /nfs/dbraw/zinc/21/85/07/1137218507.db2.gz 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HSLYEFWCJRDEBV-UHFFFAOYSA-N -1 0 332.400 3.677 20 30 EHEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)ccc2OC2CCCC2)CC1 ZINC001190815405 1134754127 /nfs/dbraw/zinc/75/41/27/1134754127.db2.gz KMGOUGBBTHYRLZ-UHFFFAOYSA-N -1 0 339.432 3.998 20 30 EHEDRM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC001190971753 1134773201 /nfs/dbraw/zinc/77/32/01/1134773201.db2.gz RILUSWSXWAXUFJ-NSHDSACASA-N -1 0 345.811 3.640 20 30 EHEDRM O=C(/C=C\c1cnnn1Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000792883423 1134812464 /nfs/dbraw/zinc/81/24/64/1134812464.db2.gz DKRCKUMSHKTBHC-CLFYSBASSA-N -1 0 339.782 3.582 20 30 EHEDRM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC001191249028 1134837055 /nfs/dbraw/zinc/83/70/55/1134837055.db2.gz LIERVRSIQCYKNQ-UHFFFAOYSA-N -1 0 332.400 3.841 20 30 EHEDRM CC[C@@H](NN=Cc1c2ccccc2n(C)c1-c1ccccc1)C(=O)[O-] ZINC000793055241 1134842618 /nfs/dbraw/zinc/84/26/18/1134842618.db2.gz KMRRZXAOXYHAFR-QGZVFWFLSA-N -1 0 335.407 3.632 20 30 EHEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C#N)cnc1Cl ZINC001192570715 1135031696 /nfs/dbraw/zinc/03/16/96/1135031696.db2.gz UDACZXJBGHFZFD-UHFFFAOYSA-N -1 0 349.843 3.839 20 30 EHEDRM N#Cc1cc(C(=O)Nc2ccc(-c3ccc(N)cc3)cc2)ccc1[O-] ZINC001193504973 1135147970 /nfs/dbraw/zinc/14/79/70/1135147970.db2.gz IDDDSLJNKHYOTG-UHFFFAOYSA-N -1 0 329.359 3.765 20 30 EHEDRM Cc1nc2cc(Cl)c(NC(=O)c3ccc([O-])c(C#N)c3)cc2o1 ZINC001193506764 1135148280 /nfs/dbraw/zinc/14/82/80/1135148280.db2.gz XJVDPKWFYBTPSC-UHFFFAOYSA-N -1 0 327.727 3.619 20 30 EHEDRM N#Cc1cc(C(=O)NCc2cccc(-c3cccs3)c2)ccc1[O-] ZINC001193515884 1135150401 /nfs/dbraw/zinc/15/04/01/1135150401.db2.gz UWRBBNOIRBMQSS-UHFFFAOYSA-N -1 0 334.400 3.922 20 30 EHEDRM CCCCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)cc1 ZINC001193680805 1135170578 /nfs/dbraw/zinc/17/05/78/1135170578.db2.gz HJEAPLMQDIJFAZ-UHFFFAOYSA-N -1 0 344.436 3.710 20 30 EHEDRM COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3O)c[nH]2)c1 ZINC001193853314 1135196083 /nfs/dbraw/zinc/19/60/83/1135196083.db2.gz BPSIIZZCZINBJB-UHFFFAOYSA-N -1 0 333.347 3.520 20 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CC(C)(C)c1nc(C(=O)[N-]c2c(C#N)cccc2C(F)(F)F)no1 ZINC001196987351 1135637213 /nfs/dbraw/zinc/63/72/13/1135637213.db2.gz BFSXRABNKGIWTK-UHFFFAOYSA-N -1 0 338.289 3.510 20 30 EHEDRM N#Cc1ccsc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197502268 1135701330 /nfs/dbraw/zinc/70/13/30/1135701330.db2.gz GTWUEWAATYDWNZ-UHFFFAOYSA-N -1 0 347.248 3.868 20 30 EHEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=S)Nc1cccc(C#N)c1 ZINC001197748341 1135734041 /nfs/dbraw/zinc/73/40/41/1135734041.db2.gz GAHRYPSSWPWEGK-UHFFFAOYSA-N -1 0 349.419 3.567 20 30 EHEDRM COCCOCc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1 ZINC000809158582 1135792579 /nfs/dbraw/zinc/79/25/79/1135792579.db2.gz UKCYLWJHQQYJQU-TWGQIWQCSA-N -1 0 330.355 3.590 20 30 EHEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198863394 1135862905 /nfs/dbraw/zinc/86/29/05/1135862905.db2.gz ZTWLSWIVFSGCQT-UHFFFAOYSA-N -1 0 332.768 3.759 20 30 EHEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Cl ZINC000810527162 1135969952 /nfs/dbraw/zinc/96/99/52/1135969952.db2.gz IZNBAIGPPHSYNB-CYBMUJFWSA-N -1 0 332.831 3.582 20 30 EHEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Cl ZINC000810527164 1135970040 /nfs/dbraw/zinc/97/00/40/1135970040.db2.gz IZNBAIGPPHSYNB-ZDUSSCGKSA-N -1 0 332.831 3.582 20 30 EHEDRM COc1ccc2c(c1)C(=NNc1ccc(Cl)c(C(=O)[O-])c1)CC2 ZINC000747624062 1135992305 /nfs/dbraw/zinc/99/23/05/1135992305.db2.gz ITWVMSQGUIBJIO-UHFFFAOYSA-N -1 0 330.771 3.809 20 30 EHEDRM O=C([O-])CCOc1ccc(/C=C2/CCc3ccc(F)cc3C2=O)cc1 ZINC000776193586 1136037168 /nfs/dbraw/zinc/03/71/68/1136037168.db2.gz RRAFDGJEVCSELN-PTNGSMBKSA-N -1 0 340.350 3.892 20 30 EHEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1 ZINC000747694409 1136073975 /nfs/dbraw/zinc/07/39/75/1136073975.db2.gz XBMAGZBDDSXPRZ-UTCJRWHESA-N -1 0 347.317 3.534 20 30 EHEDRM O=C([O-])CCOc1ccc(/C=C2/Oc3cccc(Cl)c3C2=O)cc1 ZINC000811699873 1136127462 /nfs/dbraw/zinc/12/74/62/1136127462.db2.gz YNSGRNWJKLBYES-XNTDXEJSSA-N -1 0 344.750 3.810 20 30 EHEDRM CSc1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(C)o1 ZINC000851107480 1136337699 /nfs/dbraw/zinc/33/76/99/1136337699.db2.gz KAJCBXZTVLSJNR-HNNXBMFYSA-N -1 0 339.416 3.933 20 30 EHEDRM O=c1[n-][nH]c(=O)n1N=Cc1c2ccccc2c(Cl)c2ccccc12 ZINC000814232107 1136426839 /nfs/dbraw/zinc/42/68/39/1136426839.db2.gz MIUSIEDPJIAHFU-UHFFFAOYSA-N -1 0 338.754 3.531 20 30 EHEDRM C[C@H]1C(N=Nc2nncc3ccccc32)CC[C@H](C(=O)[O-])C1(C)C ZINC000814705647 1136493735 /nfs/dbraw/zinc/49/37/35/1136493735.db2.gz IONQBUFWJNSLAA-SMDDNHRTSA-N -1 0 326.400 3.555 20 30 EHEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)Nc1cc(C)ccc1C ZINC000814707806 1136494474 /nfs/dbraw/zinc/49/44/74/1136494474.db2.gz XAVHLDWTYDHCDN-UHFFFAOYSA-N -1 0 333.457 3.611 20 30 EHEDRM O=C([O-])c1cc(NN=C2COc3ccc(Cl)cc32)ccc1Cl ZINC000814690176 1136494877 /nfs/dbraw/zinc/49/48/77/1136494877.db2.gz WZLYLYZQHLTVNO-UHFFFAOYSA-N -1 0 337.162 3.900 20 30 EHEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ccc(C(F)(F)F)cn1 ZINC000814711170 1136496567 /nfs/dbraw/zinc/49/65/67/1136496567.db2.gz DPSHVAYCMDXAAV-UHFFFAOYSA-N -1 0 349.312 3.951 20 30 EHEDRM Cc1c(NN=Cc2cccc(C(=O)[O-])c2Cl)cccc1[N+](=O)[O-] ZINC000814834555 1136513196 /nfs/dbraw/zinc/51/31/96/1136513196.db2.gz LFSBLGBWHNVUPV-UHFFFAOYSA-N -1 0 333.731 3.701 20 30 EHEDRM Cn1ncc2c1nc(N=NC1CCCC[C@@H]1C1CCCCC1)[n-]c2=O ZINC000814848582 1136515195 /nfs/dbraw/zinc/51/51/95/1136515195.db2.gz XLRSOOKKDOCNOU-CYBMUJFWSA-N -1 0 342.447 3.607 20 30 EHEDRM CCC(N=Nc1ccc(C(=O)[O-])cc1OC)c1ccc(Cl)c(N)c1 ZINC000814888023 1136520923 /nfs/dbraw/zinc/52/09/23/1136520923.db2.gz VYHFWIWUJBLKMP-UHFFFAOYSA-N -1 0 347.802 3.855 20 30 EHEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@H](C)C(C)(C)C ZINC000814937873 1136527184 /nfs/dbraw/zinc/52/71/84/1136527184.db2.gz RAOMIRUMDNEECY-OAHLLOKOSA-N -1 0 334.460 3.873 20 30 EHEDRM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776772211 1136659379 /nfs/dbraw/zinc/65/93/79/1136659379.db2.gz NGKQRXXZEFTJJO-UHFFFAOYSA-N -1 0 341.264 3.774 20 30 EHEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc3ncccc32)s1 ZINC000820799415 1137006592 /nfs/dbraw/zinc/00/65/92/1137006592.db2.gz OOKSWPKMYSUTNM-UHFFFAOYSA-N -1 0 343.433 3.531 20 30 EHEDRM C#Cc1cccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC000821139717 1137018236 /nfs/dbraw/zinc/01/82/36/1137018236.db2.gz FBXBIZKFETTWLX-UHFFFAOYSA-N -1 0 340.429 3.592 20 30 EHEDRM C=C(Cl)C[C@H](NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC000864183072 1137218093 /nfs/dbraw/zinc/21/80/93/1137218093.db2.gz CGPKHBGXVNDEMO-HNNXBMFYSA-N -1 0 334.803 3.617 20 30 EHEDRM CCN(CC)c1ccc(C=C2CCc3c(C#N)c(=O)[n-]cc3C2=O)cc1 ZINC000844554912 1137234497 /nfs/dbraw/zinc/23/44/97/1137234497.db2.gz WYBQPHWKUXQHTG-PTNGSMBKSA-N -1 0 347.418 3.718 20 30 EHEDRM C=C(Cl)C[C@H](NC(=O)Nc1cccc(C(C)(F)F)c1)C(=O)[O-] ZINC000864583075 1137235721 /nfs/dbraw/zinc/23/57/21/1137235721.db2.gz NEDOCLJMIYNGML-NSHDSACASA-N -1 0 332.734 3.516 20 30 EHEDRM CC(=NNc1cccc(C(=O)[O-])c1C)c1ccc2c(c1)OCCCO2 ZINC000844628150 1137240699 /nfs/dbraw/zinc/24/06/99/1137240699.db2.gz ZAMAOEKASPINOK-UHFFFAOYSA-N -1 0 340.379 3.691 20 30 EHEDRM CCCCCCCCCS(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000844825389 1137257414 /nfs/dbraw/zinc/25/74/14/1137257414.db2.gz KCKCKMMQAWILFL-UHFFFAOYSA-N -1 0 346.518 3.708 20 30 EHEDRM N#CC(C(=O)[C@H]1CC12CCC2)=C([O-])c1sccc1Br ZINC000845843275 1137311770 /nfs/dbraw/zinc/31/17/70/1137311770.db2.gz BHGKANKTCOSKFE-RKDXNWHRSA-N -1 0 338.226 3.592 20 30 EHEDRM COCc1ccsc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845126 1137312314 /nfs/dbraw/zinc/31/23/14/1137312314.db2.gz MNOCXYJNXWETTQ-HNNXBMFYSA-N -1 0 339.416 3.518 20 30 EHEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845846480 1137312380 /nfs/dbraw/zinc/31/23/80/1137312380.db2.gz UAMSUPQBWXIJMG-MRXNPFEDSA-N -1 0 349.434 3.570 20 30 EHEDRM CC[C@@H](SC)C(=O)C(C#N)=C([O-])c1sccc1Br ZINC000845846077 1137313419 /nfs/dbraw/zinc/31/34/19/1137313419.db2.gz UEQVLCRLXSCTFQ-IONNQARKSA-N -1 0 346.271 3.544 20 30 EHEDRM CC[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)CCO1 ZINC000845834832 1137314147 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C[C@](C#N)(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CCCCC1 ZINC000738596048 603333361 /nfs/dbraw/zinc/33/33/61/603333361.db2.gz FKZOVVWNKSLTCE-QGZVFWFLSA-N -1 0 333.363 3.508 20 30 EHEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)[O-])c3)nc21 ZINC000830177436 603453056 /nfs/dbraw/zinc/45/30/56/603453056.db2.gz ZRGIAJJOPJSDOM-ZDUSSCGKSA-N -1 0 348.362 3.760 20 30 EHEDRM CCc1ccc([C@H](C)C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833670926 604583050 /nfs/dbraw/zinc/58/30/50/604583050.db2.gz PNCJPFHCWBNWMP-ZDUSSCGKSA-N -1 0 337.375 3.666 20 30 EHEDRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1cccc(Cl)c1 ZINC000833409416 604583863 /nfs/dbraw/zinc/58/38/63/604583863.db2.gz LGYOBRXMELNERA-NSHDSACASA-N -1 0 343.766 3.757 20 30 EHEDRM Cc1nc(C)c([C@@H](C)N(C)Cc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833755050 604608380 /nfs/dbraw/zinc/60/83/80/604608380.db2.gz XFFPQWOXBRXFCS-LLVKDONJSA-N -1 0 329.425 3.523 20 30 EHEDRM Cc1cc(Cl)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832886731 604612966 /nfs/dbraw/zinc/61/29/66/604612966.db2.gz UCMKPPMXSPYGTC-HNNXBMFYSA-N -1 0 329.739 3.503 20 30 EHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)cc1 ZINC000833310056 604628076 /nfs/dbraw/zinc/62/80/76/604628076.db2.gz LYGPZKARTTUOPT-IZZDOVSWSA-N -1 0 330.343 3.738 20 30 EHEDRM C[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)c1cccc(Br)c1 ZINC000763372498 604669365 /nfs/dbraw/zinc/66/93/65/604669365.db2.gz ZAZWODVAIYIHAJ-JTQLQIEISA-N -1 0 348.200 3.744 20 30 EHEDRM O=C([O-])Nc1ccc(C(=O)OCC#Cc2cccc(Cl)c2)cc1 ZINC000833282628 604836609 /nfs/dbraw/zinc/83/66/09/604836609.db2.gz LDFSLUZWTKNFKN-UHFFFAOYSA-N -1 0 329.739 3.638 20 30 EHEDRM C[C@H](C(=O)[O-])n1cccc1C=NNc1cc(Cl)ccc1Cl ZINC000833408541 605041028 /nfs/dbraw/zinc/04/10/28/605041028.db2.gz ZSDMRKQHWQSDSL-SECBINFHSA-N -1 0 326.183 3.887 20 30 EHEDRM C=CCn1c(S[C@@H](CC(C)(C)C)C(=O)[O-])nc2ccccc2c1=O ZINC000833380920 605147445 /nfs/dbraw/zinc/14/74/45/605147445.db2.gz SVGOJUWDVZAFKB-AWEZNQCLSA-N -1 0 346.452 3.564 20 30 EHEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000782220158 605153502 /nfs/dbraw/zinc/15/35/02/605153502.db2.gz ZDGWDAMYKTZMIF-UHFFFAOYSA-N -1 0 333.731 3.783 20 30 EHEDRM C#CC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccccc1 ZINC000833361255 605283562 /nfs/dbraw/zinc/28/35/62/605283562.db2.gz ZLGGQMLLRIVBCX-HNNXBMFYSA-N -1 0 341.342 3.802 20 30 EHEDRM N#Cc1ccc(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000833973763 605588693 /nfs/dbraw/zinc/58/86/93/605588693.db2.gz CMXDDZRTGNVZFC-HNNXBMFYSA-N -1 0 343.770 3.549 20 30 EHEDRM CC(C)C[C@H](C)CC(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000824390480 609516384 /nfs/dbraw/zinc/51/63/84/609516384.db2.gz AKVWBWJVWMTNFN-NSHDSACASA-N -1 0 333.440 3.838 20 30 EHEDRM C#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000797736911 939199355 /nfs/dbraw/zinc/19/93/55/939199355.db2.gz JSZXGCGETUAFHC-IBGZPJMESA-N -1 0 344.370 3.769 20 30 EHEDRM Cc1nc(CCC(=O)Nc2cc(C#N)ccc2[O-])oc1-c1ccccc1 ZINC000176815382 1032058382 /nfs/dbraw/zinc/05/83/82/1032058382.db2.gz PYGGGKSBCUNORJ-UHFFFAOYSA-N -1 0 347.374 3.799 20 30 EHEDRM CCCCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000324266359 971103390 /nfs/dbraw/zinc/10/33/90/971103390.db2.gz KJWJRBGBULJXDY-JKSUJKDBSA-N -1 0 326.481 3.879 20 30 EHEDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000621620454 953795536 /nfs/dbraw/zinc/79/55/36/953795536.db2.gz OBPAFZHDQPXNLY-FQEVSTJZSA-N -1 0 347.414 3.556 20 30 EHEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001603026120 972087174 /nfs/dbraw/zinc/08/71/74/972087174.db2.gz YKEOUURJUOVZHD-UHFFFAOYSA-N -1 0 336.391 3.555 20 30 EHEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)n1 ZINC000080451609 1032064587 /nfs/dbraw/zinc/06/45/87/1032064587.db2.gz UZIIEVQYYGFONB-AWEZNQCLSA-N -1 0 336.420 3.942 20 30 EHEDRM CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1C#N ZINC001603081680 972156621 /nfs/dbraw/zinc/15/66/21/972156621.db2.gz HIMJPDODGRDWLP-UHFFFAOYSA-N -1 0 344.411 3.709 20 30 EHEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001594632229 956350929 /nfs/dbraw/zinc/35/09/29/956350929.db2.gz SWGIWCWQXZRRES-UHFFFAOYSA-N -1 0 346.342 3.696 20 30 EHEDRM Cc1ccc(-c2csc(C(C#N)C(=O)CCCC(=O)[O-])n2)cc1 ZINC001594335604 958262493 /nfs/dbraw/zinc/26/24/93/958262493.db2.gz HDWSTOSNQSGVHF-CYBMUJFWSA-N -1 0 328.393 3.550 20 30 EHEDRM C=CCC1(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001588458673 958465772 /nfs/dbraw/zinc/46/57/72/958465772.db2.gz XTVJUEPUVCEBPN-IAGOWNOFSA-N -1 0 342.439 3.735 20 30 EHEDRM C=CCCN(OCc1ccccc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588459879 958469805 /nfs/dbraw/zinc/46/98/05/958469805.db2.gz JCXJFHVMTIIPAR-MDZDMXLPSA-N -1 0 341.363 3.528 20 30 EHEDRM N#Cc1cc(Br)ccc1NCc1ccc(C(=O)[O-])cc1 ZINC000127170549 958609653 /nfs/dbraw/zinc/60/96/53/958609653.db2.gz QAQGZJMJDUKXQA-UHFFFAOYSA-N -1 0 331.169 3.631 20 30 EHEDRM Cc1ncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C(C)C)n1 ZINC000080457249 1032068971 /nfs/dbraw/zinc/06/89/71/1032068971.db2.gz XZUQOQVMMHOYME-GFCCVEGCSA-N -1 0 328.441 3.978 20 30 EHEDRM Cn1ncc2c1CC/C(=C\c1ccc(-c3ccc(C(=O)[O-])cc3)o1)C2=O ZINC001251682792 960639137 /nfs/dbraw/zinc/63/91/37/960639137.db2.gz GSLDVPKSWYPFTE-GXDHUFHOSA-N -1 0 348.358 3.591 20 30 EHEDRM C#CCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CCCCC1 ZINC001573301495 962628050 /nfs/dbraw/zinc/62/80/50/962628050.db2.gz DYVJOQOVGPUGNR-UHFFFAOYSA-N -1 0 334.803 3.838 20 30 EHEDRM C[C@H]1C(N=Nc2cc(Cl)nc3ncccc23)CC[C@H]1CC(=O)[O-] ZINC001353100634 962650715 /nfs/dbraw/zinc/65/07/15/962650715.db2.gz ASHOZVRXJZTJHD-ZJUUUORDSA-N -1 0 332.791 3.572 20 30 EHEDRM C#CCSc1ccc(COC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001573311793 962713428 /nfs/dbraw/zinc/71/34/28/962713428.db2.gz GYPJPTKBLRUEOG-UHFFFAOYSA-N -1 0 340.400 3.776 20 30 EHEDRM C#CC[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001573317420 962745862 /nfs/dbraw/zinc/74/58/62/962745862.db2.gz ANBSWTILKKJJSK-GOSISDBHSA-N -1 0 336.391 3.590 20 30 EHEDRM C=C(C)C[C@H](NC(=O)CCCn1ccc2cc(Cl)ccc21)C(=O)[O-] ZINC001573321868 962762513 /nfs/dbraw/zinc/76/25/13/962762513.db2.gz RYFPVZGBMLJSAW-HNNXBMFYSA-N -1 0 348.830 3.611 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccco1)Cc1ccc(C)s1 ZINC001573332120 962825926 /nfs/dbraw/zinc/82/59/26/962825926.db2.gz IUJKNEXLSPZUNU-UHFFFAOYSA-N -1 0 333.409 3.599 20 30 EHEDRM C=C[C@H](CC)CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001573347509 962949017 /nfs/dbraw/zinc/94/90/17/962949017.db2.gz LFBGGBSWPDJYLI-SECBINFHSA-N -1 0 326.190 3.688 20 30 EHEDRM C=CC[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001573350919 962973377 /nfs/dbraw/zinc/97/33/77/962973377.db2.gz NRTUUKKVAGLCLK-LJQANCHMSA-N -1 0 335.403 3.629 20 30 EHEDRM C=CCCC[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC001573357611 963017224 /nfs/dbraw/zinc/01/72/24/963017224.db2.gz PDVWXKASSPNIJQ-ZDUSSCGKSA-N -1 0 341.860 3.748 20 30 EHEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001573358246 963024554 /nfs/dbraw/zinc/02/45/54/963024554.db2.gz XEBOSPKGWHCBQP-QAPCUYQASA-N -1 0 347.455 3.811 20 30 EHEDRM C=CCCCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666542820 968841548 /nfs/dbraw/zinc/84/15/48/968841548.db2.gz PBCJCNDFBMPVDW-UHFFFAOYSA-N -1 0 330.428 3.630 20 30 EHEDRM C[C@H](CC#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001592210198 977253463 /nfs/dbraw/zinc/25/34/63/977253463.db2.gz BMJANBUMNKDSGJ-KDOFPFPSSA-N -1 0 336.391 3.535 20 30 EHEDRM CCN(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000748440830 978687901 /nfs/dbraw/zinc/68/79/01/978687901.db2.gz GZICSFSSHWBFMJ-AWNIVKPZSA-N -1 0 339.391 3.502 20 30 EHEDRM O=C([O-])c1cccc(C=NNc2ccc(OCC(F)(F)F)cc2)c1 ZINC000814830287 978889898 /nfs/dbraw/zinc/88/98/98/978889898.db2.gz GDAHLKYPSZUEKE-UHFFFAOYSA-N -1 0 338.285 3.772 20 30 EHEDRM CC(N=Nc1nnc(-c2ccccn2)s1)[C@@H](C)CCCCC(=O)[O-] ZINC000814911193 978898095 /nfs/dbraw/zinc/89/80/95/978898095.db2.gz WRDBYEYFWCPTLD-NSHDSACASA-N -1 0 347.444 3.669 20 30 EHEDRM C[C@H](Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)C(=O)[O-] ZINC001592871919 979726334 /nfs/dbraw/zinc/72/63/34/979726334.db2.gz CANLYFIJNUIKRM-LLVKDONJSA-N -1 0 342.782 3.727 20 30 EHEDRM CC[C@](NCC#Cc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595284629 980359276 /nfs/dbraw/zinc/35/92/76/980359276.db2.gz ZJTKYEAAPTUKOO-LJQANCHMSA-N -1 0 327.811 3.671 20 30 EHEDRM CCCCC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC001595680472 982154334 /nfs/dbraw/zinc/15/43/34/982154334.db2.gz DUKVHZCIAFBQSN-AWEZNQCLSA-N -1 0 344.436 3.845 20 30 EHEDRM CCCCCCC[C@H](C)CNC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001595704773 982279746 /nfs/dbraw/zinc/27/97/46/982279746.db2.gz GXFTUJPLADINDL-MPGHIAIKSA-N -1 0 326.481 3.735 20 30 EHEDRM CCCCCCCCCC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595705254 982283633 /nfs/dbraw/zinc/28/36/33/982283633.db2.gz STUKWHAKCOXLLB-AWEZNQCLSA-N -1 0 335.448 3.673 20 30 EHEDRM C#C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588376875 983354644 /nfs/dbraw/zinc/35/46/44/983354644.db2.gz ZEIHXMHDYCOUQJ-OZVSCIAHSA-N -1 0 340.310 3.618 20 30 EHEDRM C#C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC001588377682 983358633 /nfs/dbraw/zinc/35/86/33/983358633.db2.gz PPIKDQNWTNEOIP-IQIBNGDESA-N -1 0 333.746 3.634 20 30 EHEDRM C#CCN(Cc1ccc(F)cc1)Cc1cccc(C(=O)[O-])c1Cl ZINC001588469304 983501395 /nfs/dbraw/zinc/50/13/95/983501395.db2.gz CNAOMKONWXMAST-UHFFFAOYSA-N -1 0 331.774 3.813 20 30 EHEDRM C=C(C)[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(F)c(F)c1 ZINC001588534009 983585117 /nfs/dbraw/zinc/58/51/17/983585117.db2.gz DEQPPVUCEIYSJS-AWEZNQCLSA-N -1 0 335.306 3.612 20 30 EHEDRM C=C(C)C[C@H](NC(=O)CCC[C@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC001588540861 983605351 /nfs/dbraw/zinc/60/53/51/983605351.db2.gz NUWBMNNTSGTFBC-YOEHRIQHSA-N -1 0 333.428 3.505 20 30 EHEDRM C=C(C)C[C@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001588541412 983607505 /nfs/dbraw/zinc/60/75/05/983607505.db2.gz YQNSOOQOHMFKMF-LENZSSGSSA-N -1 0 343.423 3.557 20 30 EHEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001588573515 983653225 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348.296 3.800 20 30 EHEDRM Cc1csc([C@H](C#N)C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)n1 ZINC000338188466 1138780546 /nfs/dbraw/zinc/78/05/46/1138780546.db2.gz GNEHZCJGZOHVRU-VCTAVGKDSA-N -1 0 339.420 3.536 20 30 EHEDRM CCCCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)c2ccccc21 ZINC000777303873 1139534355 /nfs/dbraw/zinc/53/43/55/1139534355.db2.gz HXRPOHBVHUJCBT-MRXNPFEDSA-N -1 0 339.439 3.679 20 30 EHEDRM CC(=NOCCC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000777459179 1140389198 /nfs/dbraw/zinc/38/91/98/1140389198.db2.gz HPGQUMHNZNKBCB-UHFFFAOYSA-N -1 0 344.102 3.987 20 30 EHEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1csc(Br)c1 ZINC000357572615 1140720760 /nfs/dbraw/zinc/72/07/60/1140720760.db2.gz WYRFOVZXMQWQJI-IWQZZHSRSA-N -1 0 335.182 3.646 20 30 EHEDRM C=CCOc1ccc(CNc2cc(C(=O)[O-])ccc2OC)cc1OC ZINC000020879519 212181778 /nfs/dbraw/zinc/18/17/78/212181778.db2.gz AKILMECBMJGURU-UHFFFAOYSA-N -1 0 343.379 3.579 20 30 EHEDRM O=C([O-])c1occc1/C=C/C(=O)c1cccc(OC(F)(F)F)c1 ZINC000739215455 599805529 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Cc1cc(/C=C2\Cc3cc(F)ccc3C2=O)cc(C)c1OCC(=O)[O-] ZINC000738379607 600567299 /nfs/dbraw/zinc/56/72/99/600567299.db2.gz SBFQRAHPJOSBGR-VIZOYTHASA-N -1 0 340.350 3.728 20 30 EHEDRM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000825967704 600971500 /nfs/dbraw/zinc/97/15/00/600971500.db2.gz ZDFJNSDUHYNELS-JTQLQIEISA-N -1 0 344.754 3.929 20 30 EHEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cnn1-c1cc(C)ccc1C ZINC000832925244 601332461 /nfs/dbraw/zinc/33/24/61/601332461.db2.gz UCDMCWQQPVXEIH-VQHVLOKHSA-N -1 0 349.390 3.720 20 30 EHEDRM N#Cc1cccc([C@H](OC(=O)c2cccc3ccccc32)C(=O)[O-])c1 ZINC000833077489 601345637 /nfs/dbraw/zinc/34/56/37/601345637.db2.gz UMBBFAALFRGMFS-SFHVURJKSA-N -1 0 331.327 3.694 20 30 EHEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C(=O)[O-])c1 ZINC000833077205 601353025 /nfs/dbraw/zinc/35/30/25/601353025.db2.gz NFFSEMULMIKHTO-SFHVURJKSA-N -1 0 346.342 3.536 20 30 EHEDRM Cc1ccc(/C=C/CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000832927858 601567458 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C=CCn1c(S[C@@H](CC)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000825711339 602238977 /nfs/dbraw/zinc/23/89/77/602238977.db2.gz ZPCRQRQKECGEPD-LBPRGKRZSA-N -1 0 337.832 3.740 20 30 EHEDRM N#Cc1cc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)ccc1Cl ZINC000740312149 602482641 /nfs/dbraw/zinc/48/26/41/602482641.db2.gz AWZJUTCSDDTEKM-UHFFFAOYSA-N -1 0 333.706 3.693 20 30 EHEDRM C[C@@H](C#N)Oc1ccc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000823647087 603178586 /nfs/dbraw/zinc/17/85/86/603178586.db2.gz IUDFJFRERWEJPI-KBPBESRZSA-N -1 0 339.395 3.918 20 30 EHEDRM N#CCc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000740310356 603207078 /nfs/dbraw/zinc/20/70/78/603207078.db2.gz ITOLIFQCBTZZAX-UHFFFAOYSA-N -1 0 329.743 3.748 20 30 EHEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739092950 603317281 /nfs/dbraw/zinc/31/72/81/603317281.db2.gz OZSGNQIVXVYIHT-QLJPJBMISA-N -1 0 335.791 3.632 20 30 EHEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)[C@H](C)CCCCC(=O)[O-] ZINC000814887415 604501235 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EHEDRM C=CCCN(C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588805696 984255202 /nfs/dbraw/zinc/25/52/02/984255202.db2.gz LUNJJEDRWOEEBN-UHFFFAOYSA-N -1 0 342.848 3.947 20 30 EHEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001588829354 984314015 /nfs/dbraw/zinc/31/40/15/984314015.db2.gz VIFLEJZRVYVOSF-AWEZNQCLSA-N -1 0 342.395 3.730 20 30 EHEDRM C=CCN(Cc1ccccc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588832375 984322324 /nfs/dbraw/zinc/32/23/24/984322324.db2.gz GRPGDGIRHLUTJV-HNNXBMFYSA-N -1 0 340.423 3.589 20 30 EHEDRM C=CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001588874070 984447636 /nfs/dbraw/zinc/44/76/36/984447636.db2.gz UTFCOASOCZWUOA-UHFFFAOYSA-N -1 0 345.782 3.784 20 30 EHEDRM C=CCOc1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC001588874566 984448617 /nfs/dbraw/zinc/44/86/17/984448617.db2.gz BIDBHOSORXDEFU-UHFFFAOYSA-N -1 0 341.363 3.519 20 30 EHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@H](C)SC ZINC001588881621 984460633 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CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC001597457093 987869155 /nfs/dbraw/zinc/86/91/55/987869155.db2.gz GVCLNVXUGCFVPG-SFHVURJKSA-N -1 0 349.390 3.628 20 30 EHEDRM CC(C)(C)c1csc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1C#N ZINC001590537377 990153806 /nfs/dbraw/zinc/15/38/06/990153806.db2.gz UQFOOJOSQNNQCW-UHFFFAOYSA-N -1 0 342.420 3.797 20 30 EHEDRM CC(C)CCN(CCC#N)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001591245189 992132767 /nfs/dbraw/zinc/13/27/67/992132767.db2.gz DEDMYPRUCJQQDC-UHFFFAOYSA-N -1 0 342.399 3.660 20 30 EHEDRM COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)CC3 ZINC001599623863 994121169 /nfs/dbraw/zinc/12/11/69/994121169.db2.gz VENRHSZCZTTZQI-NTMALXAHSA-N -1 0 337.331 3.680 20 30 EHEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cn1 ZINC000183118274 1032134137 /nfs/dbraw/zinc/13/41/37/1032134137.db2.gz IZHYAZYJVQYHPY-CQSZACIVSA-N -1 0 328.441 3.573 20 30 EHEDRM CC1(C)CN(c2ccc(C(=O)[O-])nc2C#N)c2cccc(Cl)c21 ZINC001593946352 996994437 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C=CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000485149709 1032352981 /nfs/dbraw/zinc/35/29/81/1032352981.db2.gz MPPZGNPDQMLIIE-UHFFFAOYSA-N -1 0 341.791 3.845 20 30 EHEDRM CCCc1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000076767899 1032645420 /nfs/dbraw/zinc/64/54/20/1032645420.db2.gz IWDDFWAPODAVAY-SNVBAGLBSA-N -1 0 339.342 3.999 20 30 EHEDRM C=CCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1OCCC ZINC000472795768 1017975340 /nfs/dbraw/zinc/97/53/40/1017975340.db2.gz VVIZMGJLLUCLET-UHFFFAOYSA-N -1 0 337.363 3.812 20 30 EHEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000683689314 1018020736 /nfs/dbraw/zinc/02/07/36/1018020736.db2.gz AICBMQURBKBYJP-JTQLQIEISA-N -1 0 328.324 3.721 20 30 EHEDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000076766567 1018586358 /nfs/dbraw/zinc/58/63/58/1018586358.db2.gz FQIZQSGLLBOSOG-VIFPVBQESA-N -1 0 334.235 3.531 20 30 EHEDRM CC(C)c1ccc2ncc(C#N)c(N3CCC[C@H](CC(=O)[O-])C3)c2c1 ZINC000581179960 1020508134 /nfs/dbraw/zinc/50/81/34/1020508134.db2.gz 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328.441 3.533 20 30 EHEDRM O=C([O-])CCOc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 ZINC000728442027 1024525748 /nfs/dbraw/zinc/52/57/48/1024525748.db2.gz UANBCHXVZXNGGT-FYWRMAATSA-N -1 0 338.359 3.589 20 30 EHEDRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000435142694 1024657233 /nfs/dbraw/zinc/65/72/33/1024657233.db2.gz XFIJVJMRMFVRRP-UHFFFAOYSA-N -1 0 336.438 3.516 20 30 EHEDRM C=CCCCS(=O)(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000427753416 1024765048 /nfs/dbraw/zinc/76/50/48/1024765048.db2.gz DPYYIJIOHMKUQP-UHFFFAOYSA-N -1 0 343.861 3.566 20 30 EHEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000507939436 1024774893 /nfs/dbraw/zinc/77/48/93/1024774893.db2.gz QNFFIGDUDSYYMC-UHFFFAOYSA-N -1 0 349.481 3.760 20 30 EHEDRM C=C(C)[C@@H]1OCC[C@H]1CN=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000435592608 1025022325 /nfs/dbraw/zinc/02/23/25/1025022325.db2.gz MEIUZPXCRVTAMC-FZMZJTMJSA-N -1 0 335.860 3.674 20 30 EHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnnc3ccccc32)s1 ZINC000529010009 1033258061 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3.502 20 30 EHEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000741848251 1131656736 /nfs/dbraw/zinc/65/67/36/1131656736.db2.gz OGHUJWFYNVGVMR-MDWZMJQESA-N -1 0 325.320 3.522 20 30 EHEDRM CC(C)CNC(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001174078864 1132237549 /nfs/dbraw/zinc/23/75/49/1132237549.db2.gz MTDDPCXOIJXGSL-UHFFFAOYSA-N -1 0 327.359 3.532 20 30 EHEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2Br)c1 ZINC000745624979 1132283667 /nfs/dbraw/zinc/28/36/67/1132283667.db2.gz QVCKIYFFANAKHS-SXGWCWSVSA-N -1 0 335.157 3.682 20 30 EHEDRM Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1Cl ZINC001174505745 1132392854 /nfs/dbraw/zinc/39/28/54/1132392854.db2.gz LJSQOACNRPACGX-UHFFFAOYSA-N -1 0 331.715 3.870 20 30 EHEDRM N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(Br)c1 ZINC001175218400 1132598193 /nfs/dbraw/zinc/59/81/93/1132598193.db2.gz BAPKQRUIZMGBJI-UHFFFAOYSA-N -1 0 335.132 3.902 20 30 EHEDRM N#Cc1ccc(Br)c(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175221623 1132599093 /nfs/dbraw/zinc/59/90/93/1132599093.db2.gz JUGXWANRTHQFLN-UHFFFAOYSA-N -1 0 335.132 3.902 20 30 EHEDRM N#Cc1cc(F)cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001175684265 1132737948 /nfs/dbraw/zinc/73/79/48/1132737948.db2.gz HVYGYGBAWGZRLR-UHFFFAOYSA-N -1 0 342.351 3.841 20 30 EHEDRM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1Cl ZINC000766868849 1132886742 /nfs/dbraw/zinc/88/67/42/1132886742.db2.gz IDMPWBMQIUPUOF-SECBINFHSA-N -1 0 335.816 3.814 20 30 EHEDRM CCc1nc2ccccc2n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000767363668 1132989452 /nfs/dbraw/zinc/98/94/52/1132989452.db2.gz UDLJOPZDEMJRLK-UHFFFAOYSA-N -1 0 344.758 3.748 20 30 EHEDRM O=C(/C=C\c1ccccc1-n1cncn1)c1ccc([O-])c(Cl)c1 ZINC000768757637 1133178276 /nfs/dbraw/zinc/17/82/76/1133178276.db2.gz PQLMCVPHHMTSGV-ALCCZGGFSA-N -1 0 325.755 3.522 20 30 EHEDRM C=CCC[C@H]1CCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001179840350 1133288507 /nfs/dbraw/zinc/28/85/07/1133288507.db2.gz BDRWWGJOSNBRHO-JTQLQIEISA-N -1 0 342.208 3.865 20 30 EHEDRM COc1ccc(C(=O)/C=C/c2cscc2Cl)cc1CC(=O)[O-] ZINC000771852287 1133607676 /nfs/dbraw/zinc/60/76/76/1133607676.db2.gz ZHIPHMKNGFJJIS-DUXPYHPUSA-N -1 0 336.796 3.933 20 30 EHEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)cc2C)c1 ZINC000786549169 1133872904 /nfs/dbraw/zinc/87/29/04/1133872904.db2.gz GEQKVMZTVABABJ-KRWDZBQOSA-N -1 0 340.810 3.596 20 30 EHEDRM CSc1cc(C)nc(SC)c1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184241589 1133914905 /nfs/dbraw/zinc/91/49/05/1133914905.db2.gz QGMMHTNYVBOAMI-UHFFFAOYSA-N -1 0 347.485 3.822 20 30 EHEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cccc(C(F)F)c1 ZINC000787065726 1133944167 /nfs/dbraw/zinc/94/41/67/1133944167.db2.gz AMXHPAQYTTWJBM-MRXNPFEDSA-N -1 0 342.345 3.605 20 30 EHEDRM CC(/C=C\C(=O)c1ccc(O)cc1[O-])=C/c1cccc([N+](=O)[O-])c1 ZINC000787172531 1133966686 /nfs/dbraw/zinc/96/66/86/1133966686.db2.gz XADSIBTYPVMFCG-CVNCVQKXSA-N -1 0 325.320 3.848 20 30 EHEDRM O=C([O-])c1cc(/C=C2/CSc3ccc(F)cc3C2=O)ccc1O ZINC000787476924 1134012576 /nfs/dbraw/zinc/01/25/76/1134012576.db2.gz WDKXTUOCPDABMG-YHYXMXQVSA-N -1 0 330.336 3.602 20 30 EHEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185421151 1134081874 /nfs/dbraw/zinc/08/18/74/1134081874.db2.gz JTOSIOJEQSJORT-UHFFFAOYSA-N -1 0 328.418 3.882 20 30 EHEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1F ZINC001185533119 1134104460 /nfs/dbraw/zinc/10/44/60/1134104460.db2.gz YKUPUTNZMDAMJN-UHFFFAOYSA-N -1 0 338.791 3.768 20 30 EHEDRM N#Cc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c(Cl)c1 ZINC000788359084 1134116016 /nfs/dbraw/zinc/11/60/16/1134116016.db2.gz NDHSOXVSHDFOLY-QHHAFSJGSA-N -1 0 328.711 3.722 20 30 EHEDRM O=C1c2cc([N+](=O)[O-])ccc2OC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000788360472 1134116849 /nfs/dbraw/zinc/11/68/49/1134116849.db2.gz YDYQQVBCJWUIII-YHYXMXQVSA-N -1 0 331.711 3.613 20 30 EHEDRM C#C[C@H]([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)[C@H]1CCCO1 ZINC001186183691 1134178980 /nfs/dbraw/zinc/17/89/80/1134178980.db2.gz GPHIPPLFPOCRNA-QWHCGFSZSA-N -1 0 338.194 3.636 20 30 EHEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1C#N ZINC001187219853 1134316718 /nfs/dbraw/zinc/31/67/18/1134316718.db2.gz SWVCLKUDKWGMCX-UHFFFAOYSA-N -1 0 346.477 3.916 20 30 EHEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(Cl)cnc1C#N ZINC001188001935 1134411499 /nfs/dbraw/zinc/41/14/99/1134411499.db2.gz UURFHYNZWMVWMJ-UHFFFAOYSA-N -1 0 329.853 3.709 20 30 EHEDRM CCCCCCCCS(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC001188012604 1134415703 /nfs/dbraw/zinc/41/57/03/1134415703.db2.gz DIZYQKIFUOJWNF-UHFFFAOYSA-N -1 0 327.446 3.575 20 30 EHEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189109225 1134540693 /nfs/dbraw/zinc/54/06/93/1134540693.db2.gz VWSQCKHLSYUGIR-UHFFFAOYSA-N -1 0 334.828 3.505 20 30 EHEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791956102 1134638326 /nfs/dbraw/zinc/63/83/26/1134638326.db2.gz UYSQDKGZKAGBRT-UHFFFAOYSA-N -1 0 348.468 3.790 20 30 EHEDRM CC(=NNc1ncccc1C)c1cc(Br)cc(F)c1[O-] ZINC000790186745 1134639281 /nfs/dbraw/zinc/63/92/81/1134639281.db2.gz REMOIJKGTQZNNH-UHFFFAOYSA-N -1 0 338.180 3.833 20 30 EHEDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000792275423 1134676577 /nfs/dbraw/zinc/67/65/77/1134676577.db2.gz HHRZBYWYDVQMMZ-ZDUSSCGKSA-N -1 0 332.359 3.823 20 30 EHEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC001190650375 1134731456 /nfs/dbraw/zinc/73/14/56/1134731456.db2.gz DYBAVCMPTOSCNC-UHFFFAOYSA-N -1 0 345.182 3.805 20 30 EHEDRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190651042 1134732847 /nfs/dbraw/zinc/73/28/47/1134732847.db2.gz UVEMAGIDBTZRGI-UHFFFAOYSA-N -1 0 338.791 3.714 20 30 EHEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)s2)c1 ZINC001190938979 1134767610 /nfs/dbraw/zinc/76/76/10/1134767610.db2.gz JBRGPWXRPCGAAA-UHFFFAOYSA-N -1 0 333.221 3.727 20 30 EHEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC001190981347 1134774412 /nfs/dbraw/zinc/77/44/12/1134774412.db2.gz GWHPGUMWNGIYSL-UHFFFAOYSA-N -1 0 348.811 3.524 20 30 EHEDRM Cc1cc(C#N)cc(Cl)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192032068 1134958332 /nfs/dbraw/zinc/95/83/32/1134958332.db2.gz LAILNBZYMPNGTB-UHFFFAOYSA-N -1 0 348.038 3.590 20 30 EHEDRM COc1cc(C#N)ccc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001192263917 1134991217 /nfs/dbraw/zinc/99/12/17/1134991217.db2.gz RVLOBJDOLUPBPD-UHFFFAOYSA-N -1 0 337.162 3.832 20 30 EHEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N ZINC001192356090 1135004556 /nfs/dbraw/zinc/00/45/56/1135004556.db2.gz ORLFFJSSHYUHFF-UHFFFAOYSA-N -1 0 349.843 3.839 20 30 EHEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2cccc(Cl)c2[O-])cc1 ZINC001129491290 1135078739 /nfs/dbraw/zinc/07/87/39/1135078739.db2.gz DLUJQFBEKQAJLB-MRXNPFEDSA-N -1 0 328.799 3.945 20 30 EHEDRM CCc1cc(Br)cc(NC(=O)c2ccc([O-])c(C#N)c2)c1 ZINC001193505742 1135148119 /nfs/dbraw/zinc/14/81/19/1135148119.db2.gz MRYAAVYPXHUWGF-UHFFFAOYSA-N -1 0 345.196 3.841 20 30 EHEDRM CSc1cc(C)nc(SC)c1NC(=O)c1cccc(C#N)c1[O-] ZINC001193635193 1135162400 /nfs/dbraw/zinc/16/24/00/1135162400.db2.gz QDKXVGVXIAANNJ-UHFFFAOYSA-N -1 0 345.449 3.663 20 30 EHEDRM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193635962 1135163140 /nfs/dbraw/zinc/16/31/40/1135163140.db2.gz HTSRWBMNDHJRPE-ZDUSSCGKSA-N -1 0 344.436 3.881 20 30 EHEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc3ccccc3s2)c1 ZINC001193640065 1135164014 /nfs/dbraw/zinc/16/40/14/1135164014.db2.gz HWPSSZWTAVJYKL-UHFFFAOYSA-N -1 0 344.417 3.582 20 30 EHEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2csc3ccccc23)c1 ZINC001193644285 1135164870 /nfs/dbraw/zinc/16/48/70/1135164870.db2.gz DLWNVTWQKZYCEV-UHFFFAOYSA-N -1 0 344.417 3.582 20 30 EHEDRM N#Cc1cccc(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)c1[O-] ZINC001193659286 1135168345 /nfs/dbraw/zinc/16/83/45/1135168345.db2.gz KUEHMHYCHIAFHA-OAHLLOKOSA-N -1 0 346.308 3.700 20 30 EHEDRM COc1cc(F)c(C(=O)[N-]c2c(C#N)oc3ccccc32)cc1F ZINC001193958021 1135205961 /nfs/dbraw/zinc/20/59/61/1135205961.db2.gz XWLNWKIKRLUWOE-UHFFFAOYSA-N -1 0 328.274 3.844 20 30 EHEDRM N#Cc1cncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194410547 1135265664 /nfs/dbraw/zinc/26/56/64/1135265664.db2.gz DIJSLLQUPNTAIY-UHFFFAOYSA-N -1 0 343.795 3.561 20 30 EHEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194498648 1135279055 /nfs/dbraw/zinc/27/90/55/1135279055.db2.gz NMNGGTBVQWKRAG-UHFFFAOYSA-N -1 0 342.807 3.670 20 30 EHEDRM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000805857997 1135339661 /nfs/dbraw/zinc/33/96/61/1135339661.db2.gz LXKBFDRWCQFXTM-AWEZNQCLSA-N -1 0 344.411 3.730 20 30 EHEDRM O=C([O-])[C@@H]1C/C(=C\c2cccc(-n3cccn3)c2)C(=O)c2ccccc21 ZINC000806562553 1135460063 /nfs/dbraw/zinc/46/00/63/1135460063.db2.gz MAOQOFFHXHGXHP-FERCGXDMSA-N -1 0 344.370 3.711 20 30 EHEDRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195757450 1135461364 /nfs/dbraw/zinc/46/13/64/1135461364.db2.gz BPIZUFPNQHQMOG-UHFFFAOYSA-N -1 0 335.285 3.577 20 30 EHEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1[O-] ZINC000775680455 1135504653 /nfs/dbraw/zinc/50/46/53/1135504653.db2.gz CZLFZPOLUMPWJM-UHFFFAOYSA-N -1 0 346.770 3.782 20 30 EHEDRM C=C(C)[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])OCC ZINC000807838949 1135575525 /nfs/dbraw/zinc/57/55/25/1135575525.db2.gz DGPZBVMLOXQABR-CYBMUJFWSA-N -1 0 332.227 3.687 20 30 EHEDRM Cc1cc(C)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001197120131 1135652172 /nfs/dbraw/zinc/65/21/72/1135652172.db2.gz ANFHWRGJEKKPCA-UHFFFAOYSA-N -1 0 325.393 3.682 20 30 EHEDRM N#Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c(Cl)c1 ZINC000809157754 1135792654 /nfs/dbraw/zinc/79/26/54/1135792654.db2.gz SFBDHKORWZTVGH-DJWKRKHSSA-N -1 0 327.723 3.512 20 30 EHEDRM Cc1ccc(S(=O)(=O)Nc2c([S-])cccc2Cl)cc1C#N ZINC001201322571 1136007229 /nfs/dbraw/zinc/00/72/29/1136007229.db2.gz OWAFYVNSIVWNHI-UHFFFAOYSA-N -1 0 338.841 3.610 20 30 EHEDRM CC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201322989 1136007792 /nfs/dbraw/zinc/00/77/92/1136007792.db2.gz WBHIJXWEWGIZFT-UHFFFAOYSA-N -1 0 348.811 3.524 20 30 EHEDRM O=C([O-])CCOc1ccc(/C=C2\CCc3ccc(F)cc3C2=O)cc1 ZINC000776193587 1136037171 /nfs/dbraw/zinc/03/71/71/1136037171.db2.gz 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Cc1csc(C(C#N)=C([O-])COC(=O)C2CCCCCCC2)n1 ZINC000745126164 1132203066 /nfs/dbraw/zinc/20/30/66/1132203066.db2.gz LTWODYXRZMFASD-CQSZACIVSA-N -1 0 334.441 3.532 20 30 EHEDRM CC(=NN=C(C)c1cnccn1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000745203567 1132216428 /nfs/dbraw/zinc/21/64/28/1132216428.db2.gz KAQGEWUFJGOZTG-UHFFFAOYSA-N -1 0 348.362 3.668 20 30 EHEDRM N#Cc1c([O-])csc1Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC001174072996 1132235263 /nfs/dbraw/zinc/23/52/63/1132235263.db2.gz NJBJAKXRYSZJMX-UHFFFAOYSA-N -1 0 327.409 3.695 20 30 EHEDRM N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC001174505274 1132391931 /nfs/dbraw/zinc/39/19/31/1132391931.db2.gz SPDHSWSUPAJQOB-UHFFFAOYSA-N -1 0 335.678 3.701 20 30 EHEDRM N#Cc1cc(Nc2ccc(C(=O)[O-])s2)c(Br)cc1F ZINC001174806449 1132478273 /nfs/dbraw/zinc/47/82/73/1132478273.db2.gz BTNBQTRGYMDRMA-UHFFFAOYSA-N -1 0 341.161 3.963 20 30 EHEDRM CCN(CC)C(=O)c1ccc(F)c(Nc2scc([O-])c2C#N)c1 ZINC001176069539 1132828184 /nfs/dbraw/zinc/82/81/84/1132828184.db2.gz 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1133874590 /nfs/dbraw/zinc/87/45/90/1133874590.db2.gz WVQCWKWGWJLXOO-HXUWFJFHSA-N -1 0 346.430 3.513 20 30 EHEDRM Cc1nc2cc(Cl)c(NC(=O)CCC(=O)C3=CC=C[CH]3)cc2o1 ZINC001184245719 1133914836 /nfs/dbraw/zinc/91/48/36/1133914836.db2.gz YAAAWWCDDOAOSY-UHFFFAOYSA-N -1 0 329.763 3.778 20 30 EHEDRM Cc1cc(Cl)cc(Cl)c1CNC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184243679 1133915074 /nfs/dbraw/zinc/91/50/74/1133915074.db2.gz ICXZCWZKEDSOBB-UHFFFAOYSA-N -1 0 337.226 3.968 20 30 EHEDRM O=C(CCC(=O)N(Cc1ccccn1)C1CCCCC1)C1=CC=C[CH]1 ZINC001184244235 1133915082 /nfs/dbraw/zinc/91/50/82/1133915082.db2.gz RWZVUNSIYVMGSG-UHFFFAOYSA-N -1 0 337.443 3.793 20 30 EHEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1csc2ccccc12 ZINC000787077783 1133946502 /nfs/dbraw/zinc/94/65/02/1133946502.db2.gz JXTHRKVUQTZGNU-MRXNPFEDSA-N -1 0 348.427 3.882 20 30 EHEDRM CC(=NOC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000788034446 1134069375 /nfs/dbraw/zinc/06/93/75/1134069375.db2.gz SCPKWUGSOSWHCE-SECBINFHSA-N -1 0 348.624 3.585 20 30 EHEDRM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)ccc1Cl ZINC001185524548 1134103183 /nfs/dbraw/zinc/10/31/83/1134103183.db2.gz JDGIBIHARYFVQU-UHFFFAOYSA-N -1 0 345.811 3.501 20 30 EHEDRM Cc1cc(S(=O)(=O)[N-]c2c(F)c(F)ccc2C#N)ccc1Cl ZINC001185532404 1134104816 /nfs/dbraw/zinc/10/48/16/1134104816.db2.gz NLFCBEWPTYIYJW-UHFFFAOYSA-N -1 0 342.754 3.599 20 30 EHEDRM Cc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001186269594 1134191099 /nfs/dbraw/zinc/19/10/99/1134191099.db2.gz UGECZEMTZRXQDB-UHFFFAOYSA-N -1 0 338.260 3.983 20 30 EHEDRM O=c1[nH]ccc2cc(NN=Cc3cc(Cl)c([O-])cc3Cl)ccc12 ZINC000789085970 1134223552 /nfs/dbraw/zinc/22/35/52/1134223552.db2.gz OSUAYTGENXIVDX-UHFFFAOYSA-N -1 0 348.189 3.987 20 30 EHEDRM N#CC(=C([O-])c1nc(Cl)cs1)c1nc(-c2ccncc2)cs1 ZINC000789408129 1134271385 /nfs/dbraw/zinc/27/13/85/1134271385.db2.gz LANHZNSYGDLKGJ-SECBINFHSA-N -1 0 346.824 3.805 20 30 EHEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001187993290 1134409754 /nfs/dbraw/zinc/40/97/54/1134409754.db2.gz 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CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190981548 1134774648 /nfs/dbraw/zinc/77/46/48/1134774648.db2.gz MKVMAWFUDUQMBV-UHFFFAOYSA-N -1 0 348.811 3.524 20 30 EHEDRM CNc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000793119213 1134857822 /nfs/dbraw/zinc/85/78/22/1134857822.db2.gz HZBNAFVJBKUGGK-CQSZACIVSA-N -1 0 346.346 3.675 20 30 EHEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCC=C3)c1 ZINC000793278715 1134900905 /nfs/dbraw/zinc/90/09/05/1134900905.db2.gz FXMSJQHEFSLCGA-FQEVSTJZSA-N -1 0 344.414 3.593 20 30 EHEDRM Cc1coc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1C#N ZINC001191735912 1134914605 /nfs/dbraw/zinc/91/46/05/1134914605.db2.gz IWGXACQMZDVPGK-UHFFFAOYSA-N -1 0 345.207 3.876 20 30 EHEDRM C[C@H](C#N)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])cc1 ZINC001193089676 1135098636 /nfs/dbraw/zinc/09/86/36/1135098636.db2.gz MHYZWKNZDUBKPQ-MRVPVSSYSA-N -1 0 336.178 3.973 20 30 EHEDRM CCCCCCCC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1 ZINC001193158362 1135110433 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Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001195308481 1135410969 /nfs/dbraw/zinc/41/09/69/1135410969.db2.gz PDDRKKRQMBJJPL-UHFFFAOYSA-N -1 0 334.828 3.938 20 30 EHEDRM C=CC[C@@H](NC(=O)c1c([O-])c(F)c(F)c(F)c1F)c1ccccc1 ZINC001195311247 1135411949 /nfs/dbraw/zinc/41/19/49/1135411949.db2.gz ANJPKDNKXJSURH-SNVBAGLBSA-N -1 0 339.288 3.996 20 30 EHEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1C#N ZINC001195316626 1135412776 /nfs/dbraw/zinc/41/27/76/1135412776.db2.gz QWDRMKKKSAPHBM-UHFFFAOYSA-N -1 0 342.754 3.599 20 30 EHEDRM C[C@@H](CCOCc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000806552770 1135456663 /nfs/dbraw/zinc/45/66/63/1135456663.db2.gz YJRVHPFRUFGHFD-YQNUULROSA-N -1 0 328.368 3.715 20 30 EHEDRM O=C([O-])c1cccc(C(=O)/C=C\c2cnc3ccc(Cl)cn23)c1 ZINC000806558994 1135458980 /nfs/dbraw/zinc/45/89/80/1135458980.db2.gz RHPNLZVLOBXDLP-WAYWQWQTSA-N -1 0 326.739 3.582 20 30 EHEDRM O=C([O-])[C@H]1C/C(=C/c2cc(F)c(F)cc2F)C(=O)c2ccccc21 ZINC000806563320 1135460828 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CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(SC)cc2)s1 ZINC000590592666 1036961796 /nfs/dbraw/zinc/96/17/96/1036961796.db2.gz JKVUBLQDWSBZHS-UHFFFAOYSA-N -1 0 338.479 3.705 20 30 EHEDRM CC(C)c1ccc(CC=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000760251161 1036963677 /nfs/dbraw/zinc/96/36/77/1036963677.db2.gz VUZRQCPWLHCOSP-UHFFFAOYSA-N -1 0 337.448 3.885 20 30 EHEDRM N#CC(=C([O-])c1ncnc2ccsc21)c1nc(C2CC2)cs1 ZINC000659116524 1037273104 /nfs/dbraw/zinc/27/31/04/1037273104.db2.gz ZUMXEMXZFNAWFD-VIFPVBQESA-N -1 0 326.406 3.515 20 30 EHEDRM COc1cc(F)c(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1OC ZINC000760264988 1038021735 /nfs/dbraw/zinc/02/17/35/1038021735.db2.gz OYXCGSIXYQQIRI-ARJAWSKDSA-N -1 0 338.281 3.723 20 30 EHEDRM N#CC(=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1)c1nc2ccccc2o1 ZINC000041539306 1038118473 /nfs/dbraw/zinc/11/84/73/1038118473.db2.gz XZHOTHPONCKSOY-ZDUSSCGKSA-N -1 0 346.321 3.847 20 30 EHEDRM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000108241583 1038520978 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C=CC1(CC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000907630486 1040111124 /nfs/dbraw/zinc/11/11/24/1040111124.db2.gz XXOWNRVXAIMQPQ-UHFFFAOYSA-N -1 0 345.439 3.635 20 30 EHEDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000078323420 1040359391 /nfs/dbraw/zinc/35/93/91/1040359391.db2.gz LILCTLZCFDPNAF-VIFPVBQESA-N -1 0 334.235 3.531 20 30 EHEDRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000899762301 1041091242 /nfs/dbraw/zinc/09/12/42/1041091242.db2.gz QLMWJXLKTBSAPR-NSHDSACASA-N -1 0 334.441 3.574 20 30 EHEDRM O=C(/C=C/c1cccc(Br)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000220374979 1041093821 /nfs/dbraw/zinc/09/38/21/1041093821.db2.gz MDXXDNOZCDFXTN-GQCTYLIASA-N -1 0 348.152 3.959 20 30 EHEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000511681181 1041455657 /nfs/dbraw/zinc/45/56/57/1041455657.db2.gz LATHIZXNDPUPPD-UHFFFAOYSA-N -1 0 341.791 3.845 20 30 EHEDRM CCOc1ccccc1/C=C/C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000007353218 1042891648 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COc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)c(F)c1 ZINC000915983714 1122008408 /nfs/dbraw/zinc/00/84/08/1122008408.db2.gz GFBKDOHBVYHVMV-WTKPLQERSA-N -1 0 344.338 3.584 20 30 EHEDRM COc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000915988451 1122012192 /nfs/dbraw/zinc/01/21/92/1122012192.db2.gz WRMCMCLXMBIWIA-VQHVLOKHSA-N -1 0 330.767 3.872 20 30 EHEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2c(F)cccc2Cl)c1 ZINC000916157004 1122075632 /nfs/dbraw/zinc/07/56/32/1122075632.db2.gz KTBGTUYNGTXXDP-FPLPWBNLSA-N -1 0 334.730 3.839 20 30 EHEDRM C#CCOc1ccc2ccccc2c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000916240375 1122100805 /nfs/dbraw/zinc/10/08/05/1122100805.db2.gz AJESLFVYKPANOW-UHFFFAOYSA-N -1 0 344.370 3.996 20 30 EHEDRM C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000130521729 1122602781 /nfs/dbraw/zinc/60/27/81/1122602781.db2.gz OLPLYBDUVPWVJN-YGRLFVJLSA-N -1 0 347.267 3.744 20 30 EHEDRM O=C([O-])c1cc(NN=Cc2cccc3c2OCCCO3)ccc1Cl ZINC000917532965 1122630155 /nfs/dbraw/zinc/63/01/55/1122630155.db2.gz ZHRLHPWDQYPJBY-UHFFFAOYSA-N -1 0 346.770 3.646 20 30 EHEDRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000064374073 1123586284 /nfs/dbraw/zinc/58/62/84/1123586284.db2.gz DNYNZOQEOITKRE-UHFFFAOYSA-N -1 0 344.436 3.784 20 30 EHEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(SC(F)F)cc1 ZINC000734979394 1131297946 /nfs/dbraw/zinc/29/79/46/1131297946.db2.gz GPAZCOSUPSYEED-UHFFFAOYSA-N -1 0 334.355 3.504 20 30 EHEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000069613547 1124944707 /nfs/dbraw/zinc/94/47/07/1124944707.db2.gz QBMGPKDGXMHBBO-UHFFFAOYSA-N -1 0 347.436 3.641 20 30 EHEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c(F)c1 ZINC000618635660 1125141714 /nfs/dbraw/zinc/14/17/14/1125141714.db2.gz INORRYHCGBNVLR-UHFFFAOYSA-N -1 0 330.384 3.766 20 30 EHEDRM CNc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(Cl)n1 ZINC000735912066 1131390540 /nfs/dbraw/zinc/39/05/40/1131390540.db2.gz PZSDILWLLYWVIF-SNVBAGLBSA-N -1 0 342.811 3.876 20 30 EHEDRM Cc1c2cccc(F)c2oc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000674299347 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C[C@@H](CC#N)OC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000736540596 600243022 /nfs/dbraw/zinc/24/30/22/600243022.db2.gz JVFUGPGSAIMPHR-NSHDSACASA-N -1 0 345.376 3.729 20 30 EHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)c1cccs1 ZINC000736114752 600372483 /nfs/dbraw/zinc/37/24/83/600372483.db2.gz QBUIKKRSFWZXOC-LLVKDONJSA-N -1 0 346.404 3.893 20 30 EHEDRM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736108417 600390872 /nfs/dbraw/zinc/39/08/72/600390872.db2.gz DUXRDJCWDOVLLP-UHFFFAOYSA-N -1 0 342.370 3.787 20 30 EHEDRM C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC000736096257 600391599 /nfs/dbraw/zinc/39/15/99/600391599.db2.gz JOJQOOBHWGRPEV-UHFFFAOYSA-N -1 0 332.400 3.602 20 30 EHEDRM N#Cc1ccc([C@H](N[C@H](c2nccs2)c2ccccc2)C(=O)[O-])cc1 ZINC000739106240 600566683 /nfs/dbraw/zinc/56/66/83/600566683.db2.gz LBRMQZWCRIHQSZ-IRXDYDNUSA-N -1 0 349.415 3.520 20 30 EHEDRM Cc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000738627145 600599311 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3.761 20 30 EHEDRM C[C@@](C#N)(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CCCCC1 ZINC000738596046 603333477 /nfs/dbraw/zinc/33/34/77/603333477.db2.gz FKZOVVWNKSLTCE-KRWDZBQOSA-N -1 0 333.363 3.508 20 30 EHEDRM O=C([O-])c1cccc(C#Cc2cccc(NC[C@H]3CCCOC3)c2)c1 ZINC000833327761 604401481 /nfs/dbraw/zinc/40/14/81/604401481.db2.gz YULVIBCLSHBPQE-GOSISDBHSA-N -1 0 335.403 3.623 20 30 EHEDRM Cc1c2cc(C(=O)/C=C\c3cncs3)cnc2sc1C(=O)[O-] ZINC000832853467 604626945 /nfs/dbraw/zinc/62/69/45/604626945.db2.gz HWVQBYGDRIRTJE-IHWYPQMZSA-N -1 0 330.390 3.656 20 30 EHEDRM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1OC(F)F ZINC000832280979 604626974 /nfs/dbraw/zinc/62/69/74/604626974.db2.gz HCBIBNIZZMVEQM-WAPJZHGLSA-N -1 0 348.301 3.891 20 30 EHEDRM COc1ccc(OC(F)F)c(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000832431305 604627340 /nfs/dbraw/zinc/62/73/40/604627340.db2.gz MVZCNLKNWABPSN-SOFGYWHQSA-N -1 0 348.301 3.891 20 30 EHEDRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000833213173 604636905 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C=CCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C(C)C ZINC000162350276 605131936 /nfs/dbraw/zinc/13/19/36/605131936.db2.gz JFNMCDGOUHKSAC-UHFFFAOYSA-N -1 0 341.205 3.576 20 30 EHEDRM CN(C(=O)[O-])c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000833685290 605264007 /nfs/dbraw/zinc/26/40/07/605264007.db2.gz JQLXZPMHWVCGPY-UHFFFAOYSA-N -1 0 329.743 3.578 20 30 EHEDRM C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000575074403 939731559 /nfs/dbraw/zinc/73/15/59/939731559.db2.gz AFIFFOZEWDFNDS-IINYFYTJSA-N -1 0 342.798 3.649 20 30 EHEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc2c(c1)oc1ccccc12 ZINC001593676366 953930765 /nfs/dbraw/zinc/93/07/65/953930765.db2.gz MKXMXCJAFZIGLR-IBGZPJMESA-N -1 0 336.347 3.553 20 30 EHEDRM N#CCCC[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1 ZINC001594608861 956187535 /nfs/dbraw/zinc/18/75/35/956187535.db2.gz DBUUFSJWTBOPOI-OAGJVSPASA-N -1 0 338.363 3.542 20 30 EHEDRM N#Cc1cc2ccccc2cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594617032 956244833 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348.790 3.679 20 30 EHEDRM CC(=NNc1ccc(F)cc1C)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814885142 1136520091 /nfs/dbraw/zinc/52/00/91/1136520091.db2.gz OOSQOJAYVSBZII-CYBMUJFWSA-N -1 0 330.359 3.822 20 30 EHEDRM C[C@H]1C(N=Nc2cc(C#N)cc(Cl)n2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814891199 1136520600 /nfs/dbraw/zinc/52/06/00/1136520600.db2.gz PPCARMMLQPTBOJ-GXSJLCMTSA-N -1 0 334.807 3.531 20 30 EHEDRM CCc1nc(C)c(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)o1 ZINC000815899354 1136648806 /nfs/dbraw/zinc/64/88/06/1136648806.db2.gz NSCDFLFIFNMQIO-ZDUSSCGKSA-N -1 0 335.363 3.541 20 30 EHEDRM CCC[C@@H](OCC)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000860853166 1137081333 /nfs/dbraw/zinc/08/13/33/1137081333.db2.gz FHMFLJNMUSKLCN-UONOGXRCSA-N -1 0 333.453 3.724 20 30 EHEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001136666923 1137085970 /nfs/dbraw/zinc/08/59/70/1137085970.db2.gz JQPJEZNUFZEXLW-MRXNPFEDSA-N -1 0 344.361 3.963 20 30 EHEDRM CCCn1ccc2ccc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)cc21 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C=CCCC[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)C(=O)[O-] ZINC001573365323 963053547 /nfs/dbraw/zinc/05/35/47/963053547.db2.gz FHPJRPLJHUGRRH-CYBMUJFWSA-N -1 0 348.786 3.534 20 30 EHEDRM N#CC(=C([O-])c1csc(Cc2ccccc2F)n1)c1ccccn1 ZINC000118142162 1032080532 /nfs/dbraw/zinc/08/05/32/1032080532.db2.gz SGUVHFRIGAVNBE-CYBMUJFWSA-N -1 0 337.379 3.758 20 30 EHEDRM CCCCCCC[C@H](C)CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001603641251 973988823 /nfs/dbraw/zinc/98/88/23/973988823.db2.gz XPPHQIKVAXEYMU-JYJNAYRXSA-N -1 0 326.481 3.735 20 30 EHEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000630326757 975253437 /nfs/dbraw/zinc/25/34/37/975253437.db2.gz SOXSLZFBHVIFFF-BXUZGUMPSA-N -1 0 343.345 3.735 20 30 EHEDRM CC(CCc1n[nH]c2ccccc21)N=Nc1ccc(CC(=O)[O-])cc1 ZINC001592552276 978438353 /nfs/dbraw/zinc/43/83/53/978438353.db2.gz SVLBUPINYORMJZ-UHFFFAOYSA-N -1 0 336.395 3.611 20 30 EHEDRM O=C([O-])c1cccc(NN=C(COC(F)(F)F)c2ccccc2)c1 ZINC000794451771 978812945 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3.936 20 30 EHEDRM CC(C)(C)c1ncc(C=C2CCc3c(C#N)c(=O)[n-]cc3C2=O)s1 ZINC000844554031 1137234356 /nfs/dbraw/zinc/23/43/56/1137234356.db2.gz BZEJKHGRTHSRHM-POHAHGRESA-N -1 0 339.420 3.625 20 30 EHEDRM O=C([O-])c1ccc(F)c(/C=C\C(=O)c2cnn(C3CCCC3)c2)c1 ZINC000865223900 1137269179 /nfs/dbraw/zinc/26/91/79/1137269179.db2.gz MRFRXIXBQJWEDF-VURMDHGXSA-N -1 0 328.343 3.732 20 30 EHEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc[nH]c1C1CCC1)c1ccccc1 ZINC000845528838 1137297067 /nfs/dbraw/zinc/29/70/67/1137297067.db2.gz NJXXBXTWYXMBCG-MSOLQXFVSA-N -1 0 349.434 3.872 20 30 EHEDRM N#CC(C(=O)C1(CCF)CC1)=C([O-])c1sccc1Br ZINC000845843931 1137312164 /nfs/dbraw/zinc/31/21/64/1137312164.db2.gz DZVRSDGPABJXIH-QMMMGPOBSA-N -1 0 344.205 3.542 20 30 EHEDRM COC1CCC(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)CC1 ZINC000845834144 1137314086 /nfs/dbraw/zinc/31/40/86/1137314086.db2.gz MJZRGMCVMGFTBD-PESDSKBTSA-N -1 0 345.464 3.724 20 30 EHEDRM N#CC(C(=O)c1occ2c1CCC2)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833773 1137314103 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CC(C)(C)OC(=O)n1cc(-c2csc(CC#N)c2)cc1C(=O)[O-] ZINC001590369643 989858970 /nfs/dbraw/zinc/85/89/70/989858970.db2.gz QPYZZFMCZZWSMQ-UHFFFAOYSA-N -1 0 332.381 3.764 20 30 EHEDRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1cc(Cl)ccc1C#N ZINC001598078813 990388399 /nfs/dbraw/zinc/38/83/99/990388399.db2.gz BBIMJPOMHKNGID-UHFFFAOYSA-N -1 0 349.173 3.840 20 30 EHEDRM C[C@@H](Oc1cccc(/C=C2/CCc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000255008599 1015613666 /nfs/dbraw/zinc/61/36/66/1015613666.db2.gz ZQPQZSPKVIJZEX-CDCQXCROSA-N -1 0 340.350 3.890 20 30 EHEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1nc2ccccc2s1 ZINC001593304684 994753224 /nfs/dbraw/zinc/75/32/24/994753224.db2.gz PCWBANUKHZBFBM-NSHDSACASA-N -1 0 337.404 3.717 20 30 EHEDRM COc1cc(C#N)ccc1CNc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599348472 998051379 /nfs/dbraw/zinc/05/13/79/998051379.db2.gz YOCIFXXCPZFRGY-UHFFFAOYSA-N -1 0 334.734 3.670 20 30 EHEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCC3)cc1 ZINC000782889613 1016538557 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C=CCN(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000325549423 1017661395 /nfs/dbraw/zinc/66/13/95/1017661395.db2.gz KKRPLPMPRVQPJH-UHFFFAOYSA-N -1 0 326.352 3.583 20 30 EHEDRM COc1csc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000177589916 1017699189 /nfs/dbraw/zinc/69/91/89/1017699189.db2.gz IPHZWKPDQVBUTE-ZDUSSCGKSA-N -1 0 338.388 3.752 20 30 EHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C(C)C)nn1C ZINC000177589883 1017699363 /nfs/dbraw/zinc/69/93/63/1017699363.db2.gz LNNVFVUNMMMAKP-AWEZNQCLSA-N -1 0 348.406 3.539 20 30 EHEDRM O=C([N-]S(=O)(=O)C1CCCCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000076905553 1018016263 /nfs/dbraw/zinc/01/62/63/1018016263.db2.gz HBHIVZLFNPDCFG-OCCSQVGLSA-N -1 0 343.395 3.687 20 30 EHEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)sc1C ZINC000683689689 1018022774 /nfs/dbraw/zinc/02/27/74/1018022774.db2.gz IGQOIODWCAJOMO-GFCCVEGCSA-N -1 0 340.433 3.769 20 30 EHEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000083791679 1018522394 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C=CCOc1cccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000514906561 1024875835 /nfs/dbraw/zinc/87/58/35/1024875835.db2.gz JAOZHQZYPIZRIZ-QGZVFWFLSA-N -1 0 340.379 3.541 20 30 EHEDRM COc1cc(C=CC(=O)c2sccc2[O-])ccc1OC(F)F ZINC000588495739 1025049390 /nfs/dbraw/zinc/04/93/90/1025049390.db2.gz HJQAIXSOTDBFNY-RQOWECAXSA-N -1 0 326.320 3.960 20 30 EHEDRM Cc1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1C ZINC000342373291 1025104528 /nfs/dbraw/zinc/10/45/28/1025104528.db2.gz LIMAMXHMQFPYKU-GFCCVEGCSA-N -1 0 328.441 3.646 20 30 EHEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1CC(C)C ZINC000346922187 1025299142 /nfs/dbraw/zinc/29/91/42/1025299142.db2.gz SZDCFZOAYJYLQR-ZDUSSCGKSA-N -1 0 338.436 3.947 20 30 EHEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091127405 1025306171 /nfs/dbraw/zinc/30/61/71/1025306171.db2.gz HRTZSXBBWRNGHV-UHFFFAOYSA-N -1 0 339.438 3.537 20 30 EHEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2ccoc2)n1 ZINC000342424275 1025368778 /nfs/dbraw/zinc/36/87/78/1025368778.db2.gz 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/nfs/dbraw/zinc/65/98/68/962659868.db2.gz FEJIIJIDNYSDPC-UHFFFAOYSA-N -1 0 349.434 3.656 20 30 EHEDRM C#CCC(C)(C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001573303460 962677168 /nfs/dbraw/zinc/67/71/68/962677168.db2.gz XQIVKARJKTXWGE-UHFFFAOYSA-N -1 0 339.844 3.895 20 30 EHEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001573325755 962799535 /nfs/dbraw/zinc/79/95/35/962799535.db2.gz NLAMGUWGGRBTQK-ZANVPECISA-N -1 0 344.194 3.611 20 30 EHEDRM C=CCC1(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)CCCC1 ZINC001573352818 962993254 /nfs/dbraw/zinc/99/32/54/962993254.db2.gz KQFZTQYXTPYJRT-UHFFFAOYSA-N -1 0 345.424 3.773 20 30 EHEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573353534 963003391 /nfs/dbraw/zinc/00/33/91/963003391.db2.gz YDAWRTIYXLPWJY-DOTOQJQBSA-N -1 0 330.428 3.960 20 30 EHEDRM C=CCCC[C@H](NC(=O)/C=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001573357528 963017888 /nfs/dbraw/zinc/01/78/88/963017888.db2.gz OHDABWXNNDBLTR-BMSUMIBZSA-N -1 0 341.329 3.644 20 30 EHEDRM C=CCCOCCCCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001573360261 963035685 /nfs/dbraw/zinc/03/56/85/963035685.db2.gz LDQYVUABMZAOBU-UHFFFAOYSA-N -1 0 343.782 3.879 20 30 EHEDRM C=CCCC[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)C(=O)[O-] ZINC001573365335 963053514 /nfs/dbraw/zinc/05/35/14/963053514.db2.gz FHPJRPLJHUGRRH-ZDUSSCGKSA-N -1 0 348.786 3.534 20 30 EHEDRM N#Cc1cc(NC(=O)C2(C(=O)[O-])CCC2)ccc1Oc1ccccc1 ZINC001605592133 973894750 /nfs/dbraw/zinc/89/47/50/973894750.db2.gz WYNQRQRCNPDICN-UHFFFAOYSA-N -1 0 336.347 3.544 20 30 EHEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C)sc1Br ZINC000084852127 1014191372 /nfs/dbraw/zinc/19/13/72/1014191372.db2.gz NTNGSZFPFKYLJL-UHFFFAOYSA-N -1 0 340.264 3.510 20 30 EHEDRM CC(C)Oc1cc(Cl)ccc1CNc1ccc(C(=O)[O-])nc1C#N ZINC001591755914 975823395 /nfs/dbraw/zinc/82/33/95/975823395.db2.gz WISGIQODCORUIV-UHFFFAOYSA-N -1 0 345.786 3.704 20 30 EHEDRM C[C@@H](CC#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001592210196 977253114 /nfs/dbraw/zinc/25/31/14/977253114.db2.gz BMJANBUMNKDSGJ-KBXCAEBGSA-N -1 0 336.391 3.535 20 30 EHEDRM C[C@](CC(=O)[O-])(NCc1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC001592327725 977741784 /nfs/dbraw/zinc/74/17/84/977741784.db2.gz DCGUUUSXIBASQG-GOSISDBHSA-N -1 0 346.789 3.830 20 30 EHEDRM C[C@@H](CCN=Nc1ncnc2sc(-c3ccccc3)cc21)C(=O)[O-] ZINC001592471966 978235603 /nfs/dbraw/zinc/23/56/03/978235603.db2.gz XUPMJANOQYDYGF-NSHDSACASA-N -1 0 340.408 3.867 20 30 EHEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000579781119 1014477755 /nfs/dbraw/zinc/47/77/55/1014477755.db2.gz DTCFARHSCWMXKP-GFCCVEGCSA-N -1 0 348.328 3.678 20 30 EHEDRM COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000787176488 978795819 /nfs/dbraw/zinc/79/58/19/978795819.db2.gz BYYGPJPKHXJJFM-RUDMXATFSA-N -1 0 344.750 3.721 20 30 EHEDRM COc1ccc(C(C)=NNc2ccccc2C(=O)[O-])c(C)c1OC ZINC000794888555 978826379 /nfs/dbraw/zinc/82/63/79/978826379.db2.gz RCRUYGNMDGYGMY-UHFFFAOYSA-N -1 0 328.368 3.547 20 30 EHEDRM C[C@@H]1C(N=Nc2ncnc3c4ccccc4oc32)CC[C@H]1CC(=O)[O-] ZINC000814774351 978883824 /nfs/dbraw/zinc/88/38/24/978883824.db2.gz WGOLOACIOMJTMJ-QWRGUYRKSA-N -1 0 338.367 3.665 20 30 EHEDRM C[C@@H](COc1ccccc1)NN=C1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001592782831 979420044 /nfs/dbraw/zinc/42/00/44/979420044.db2.gz MNYVNNVQPCYRJT-HOTGVXAUSA-N -1 0 332.444 3.845 20 30 EHEDRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001594759872 981689739 /nfs/dbraw/zinc/68/97/39/981689739.db2.gz SLOXBOVFFWEDAN-HNNXBMFYSA-N -1 0 340.404 3.759 20 30 EHEDRM C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910256214 981832583 /nfs/dbraw/zinc/83/25/83/981832583.db2.gz VIEJKFHHULPDHX-UHFFFAOYSA-N -1 0 340.217 3.997 20 30 EHEDRM CCCCCCCCC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001595704817 982279876 /nfs/dbraw/zinc/27/98/76/982279876.db2.gz HZSINXBKUVDMQF-UHFFFAOYSA-N -1 0 336.432 3.829 20 30 EHEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC001588523204 983571619 /nfs/dbraw/zinc/57/16/19/983571619.db2.gz ABVLQVAVYHPQLP-INIZCTEOSA-N -1 0 335.403 3.702 20 30 EHEDRM C=C(C)C[C@H](NC(=O)CCCc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001588540809 983605403 /nfs/dbraw/zinc/60/54/03/983605403.db2.gz MXKPDQIHOHDMMB-SFHVURJKSA-N -1 0 331.456 3.743 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC001588621338 983718782 /nfs/dbraw/zinc/71/87/82/983718782.db2.gz CEVRNEOZCPATSH-INIZCTEOSA-N -1 0 333.384 3.514 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(SC)c(Br)c1 ZINC001588633186 983748039 /nfs/dbraw/zinc/74/80/39/983748039.db2.gz DLYUZHUNOZJODV-UHFFFAOYSA-N -1 0 344.230 3.531 20 30 EHEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001588634100 983752073 /nfs/dbraw/zinc/75/20/73/983752073.db2.gz RHPRFPOZEFGALJ-UHFFFAOYSA-N -1 0 346.770 3.887 20 30 EHEDRM C=C1CC(C)(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)C1 ZINC001588644316 983769014 /nfs/dbraw/zinc/76/90/14/983769014.db2.gz OPCMJGCXMHBIEU-UHFFFAOYSA-N -1 0 342.164 3.581 20 30 EHEDRM C=CC1(CC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC001588714368 983951309 /nfs/dbraw/zinc/95/13/09/983951309.db2.gz GCPCKKYXNQHSRM-NRFANRHFSA-N -1 0 341.451 3.768 20 30 EHEDRM C=CC1(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)CCCCC1 ZINC001588714983 983954016 /nfs/dbraw/zinc/95/40/16/983954016.db2.gz QNVMSVUTHNRSPV-MRXNPFEDSA-N -1 0 337.366 3.733 20 30 EHEDRM C=CC1(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC001588715490 983955927 /nfs/dbraw/zinc/95/59/27/983955927.db2.gz YGMCCZJVKSAGAT-ZWKOTPCHSA-N -1 0 341.451 3.840 20 30 EHEDRM C=CC1(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])CCCCC1 ZINC001588719434 983960266 /nfs/dbraw/zinc/96/02/66/983960266.db2.gz ROKRXQMLMXCACR-UHFFFAOYSA-N -1 0 347.411 3.867 20 30 EHEDRM C=CC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588731365 984008179 /nfs/dbraw/zinc/00/81/79/984008179.db2.gz HOKBXZNOGRZSHH-IRXDYDNUSA-N -1 0 328.339 3.855 20 30 EHEDRM C=CC[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC001588757499 984103309 /nfs/dbraw/zinc/10/33/09/984103309.db2.gz ADSDSJXWHLEEON-SNVBAGLBSA-N -1 0 328.315 3.770 20 30 EHEDRM C=CCC1(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)CCCC1 ZINC001588762710 984116704 /nfs/dbraw/zinc/11/67/04/984116704.db2.gz LPOCOENHYAMXOF-FQEVSTJZSA-N -1 0 329.440 3.672 20 30 EHEDRM C=CCCC(C)(C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001588777750 984157525 /nfs/dbraw/zinc/15/75/25/984157525.db2.gz IUEKPVYVGADKTN-UHFFFAOYSA-N -1 0 340.807 3.670 20 30 EHEDRM C=CCCC[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001588793711 984221128 /nfs/dbraw/zinc/22/11/28/984221128.db2.gz XXLTWFGYUJSISO-GFCCVEGCSA-N -1 0 347.358 3.838 20 30 EHEDRM C=CCCC[C@H](NC(=O)c1sc(-c2ccccc2)nc1C)C(=O)[O-] ZINC001588797692 984230612 /nfs/dbraw/zinc/23/06/12/984230612.db2.gz JLFNTHKWRFNEFB-AWEZNQCLSA-N -1 0 344.436 3.658 20 30 EHEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001588807808 984261630 /nfs/dbraw/zinc/26/16/30/984261630.db2.gz YYOBPWQOOBKXDQ-UHFFFAOYSA-N -1 0 325.364 3.535 20 30 EHEDRM C=CCCO[C@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588808714 984262886 /nfs/dbraw/zinc/26/28/86/984262886.db2.gz LXTBLVDDOCBBEY-MFKMUULPSA-N -1 0 346.301 3.513 20 30 EHEDRM C=CCCOCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001588810495 984267450 /nfs/dbraw/zinc/26/74/50/984267450.db2.gz UCDMCGGTJJOMOP-UHFFFAOYSA-N -1 0 331.393 3.645 20 30 EHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001588881841 984461126 /nfs/dbraw/zinc/46/11/26/984461126.db2.gz FRHZCZCQVOGJAA-LIRRHRJNSA-N -1 0 332.396 3.710 20 30 EHEDRM C=CCc1ccc(OC(=O)CC2(CC(=O)[O-])CCCC2)c(OC)c1 ZINC001588885906 984470342 /nfs/dbraw/zinc/47/03/42/984470342.db2.gz ZGEQGZKCMNJIJJ-UHFFFAOYSA-N -1 0 332.396 3.754 20 30 EHEDRM C=CCn1c(S[C@@H](CC(C)C)C(=O)[O-])nnc1-c1ccccc1F ZINC001588904872 984533805 /nfs/dbraw/zinc/53/38/05/984533805.db2.gz GXHUTLGPDWEJRW-AWEZNQCLSA-N -1 0 349.431 3.862 20 30 EHEDRM C=CCn1c(SCc2ccoc2C(=O)[O-])nnc1-c1ccccc1 ZINC001588907691 984539974 /nfs/dbraw/zinc/53/99/74/984539974.db2.gz UNRWCHGTJMNATD-UHFFFAOYSA-N -1 0 341.392 3.715 20 30 EHEDRM C=CCn1c2ccccc2nc1SCc1cccc(C(=O)[O-])n1 ZINC001588907791 984540394 /nfs/dbraw/zinc/54/03/94/984540394.db2.gz XOMRULQNWWZEIL-UHFFFAOYSA-N -1 0 325.393 3.608 20 30 EHEDRM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cnn(C(C)C)c1C ZINC001589016516 984995383 /nfs/dbraw/zinc/99/53/83/984995383.db2.gz SXBSFELDYXBRKR-UHFFFAOYSA-N -1 0 334.807 3.960 20 30 EHEDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1cccc(C#N)c1Cl ZINC001599962063 985801628 /nfs/dbraw/zinc/80/16/28/985801628.db2.gz YHKIFJYZZBIEDY-UHFFFAOYSA-N -1 0 334.784 3.521 20 30 EHEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001599973388 986047263 /nfs/dbraw/zinc/04/72/63/986047263.db2.gz QNZQULAVHLFMRB-LJQANCHMSA-N -1 0 344.370 3.576 20 30 EHEDRM Cc1c(C#N)cccc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001599973387 986047898 /nfs/dbraw/zinc/04/78/98/986047898.db2.gz QNZQULAVHLFMRB-IBGZPJMESA-N -1 0 344.370 3.576 20 30 EHEDRM CCc1ccc(C(=O)[O-])c(OC(=O)c2cc3ccccc3n2CC#N)c1 ZINC001597506604 988077351 /nfs/dbraw/zinc/07/73/51/988077351.db2.gz 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EHEDRM C[C@@]1(C#N)CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000612365520 1034844805 /nfs/dbraw/zinc/84/48/05/1034844805.db2.gz JIRMSBVUMVGAGH-SFHVURJKSA-N -1 0 328.799 3.965 20 30 EHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C(C)C)n(C)n1 ZINC000177590005 1035251370 /nfs/dbraw/zinc/25/13/70/1035251370.db2.gz LHMGAFHSBVBGGK-CQSZACIVSA-N -1 0 348.406 3.539 20 30 EHEDRM CC(=O)c1cc(C#N)ccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000414086520 1035469222 /nfs/dbraw/zinc/46/92/22/1035469222.db2.gz HSVBFUPPWYBAGD-UHFFFAOYSA-N -1 0 342.395 3.515 20 30 EHEDRM C=C[C@H](CC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1 ZINC000534784453 1035594777 /nfs/dbraw/zinc/59/47/77/1035594777.db2.gz DCMDQZUOFXKOJY-MRXNPFEDSA-N -1 0 329.403 3.864 20 30 EHEDRM C=CCCO[C@H](C)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534940929 1035815085 /nfs/dbraw/zinc/81/50/85/1035815085.db2.gz GVXLZFMXQPAHJL-MRVPVSSYSA-N -1 0 348.624 3.728 20 30 EHEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c1 ZINC000045098979 1035845579 /nfs/dbraw/zinc/84/55/79/1035845579.db2.gz MAWPHWIUPPCCDJ-CYBMUJFWSA-N -1 0 330.409 3.545 20 30 EHEDRM Cc1csc(C(C#N)=C([O-])c2cn(C)nc2C2CCCCC2)n1 ZINC000588739165 1035982299 /nfs/dbraw/zinc/98/22/99/1035982299.db2.gz XWRGGCIOSTUTHY-CYBMUJFWSA-N -1 0 328.441 3.723 20 30 EHEDRM N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1cnc2ccccc2n1 ZINC000190975799 1036314780 /nfs/dbraw/zinc/31/47/80/1036314780.db2.gz HUNWHNOAYVULOZ-LBPRGKRZSA-N -1 0 346.371 3.836 20 30 EHEDRM C=C(C)C[C@@H](C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000263284511 1036751422 /nfs/dbraw/zinc/75/14/22/1036751422.db2.gz PEWFVHIEHOZMPI-DNVCBOLYSA-N -1 0 339.435 3.802 20 30 EHEDRM N#Cc1ncc(-c2ccc(F)c(C(=O)[O-])c2F)cc1C(F)(F)F ZINC001205095978 1037138367 /nfs/dbraw/zinc/13/83/67/1037138367.db2.gz ULOLKXVBVAAWRV-UHFFFAOYSA-N -1 0 328.196 3.615 20 30 EHEDRM N#Cc1cc(F)c(N2CCC(c3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC000591327137 1037326744 /nfs/dbraw/zinc/32/67/44/1037326744.db2.gz NOPLWPVNEBNKPF-UHFFFAOYSA-N -1 0 342.345 3.919 20 30 EHEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(F)c(F)c1 ZINC000058034125 1037386022 /nfs/dbraw/zinc/38/60/22/1037386022.db2.gz QFGYPPCOTIGWMJ-UHFFFAOYSA-N -1 0 349.358 3.587 20 30 EHEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1Cl ZINC000538700552 1038475273 /nfs/dbraw/zinc/47/52/73/1038475273.db2.gz JQUZSFMPCWPLHP-UHFFFAOYSA-N -1 0 332.768 3.759 20 30 EHEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000028260557 1039005261 /nfs/dbraw/zinc/00/52/61/1039005261.db2.gz RNOFKNNBLLAVMA-UHFFFAOYSA-N -1 0 342.420 3.680 20 30 EHEDRM C=CCC(CC=C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910725859 1039033677 /nfs/dbraw/zinc/03/36/77/1039033677.db2.gz ASRPDKZPQVPXFU-ZDUSSCGKSA-N -1 0 334.441 3.582 20 30 EHEDRM COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1OC(F)F ZINC000149040263 1039168782 /nfs/dbraw/zinc/16/87/82/1039168782.db2.gz PWRCESLLTVGGLA-QHHAFSJGSA-N -1 0 336.290 3.604 20 30 EHEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2cccc(C)c2C)nc1 ZINC000416944064 1039243257 /nfs/dbraw/zinc/24/32/57/1039243257.db2.gz CVQSZAYKCTWGJV-OAHLLOKOSA-N -1 0 345.424 3.535 20 30 EHEDRM CC[C@H](C#N)S(=O)(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000416934890 1039247418 /nfs/dbraw/zinc/24/74/18/1039247418.db2.gz FGGPPFOVUSYEMC-QGZVFWFLSA-N -1 0 336.457 3.580 20 30 EHEDRM N#Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])ccc1F ZINC000552384267 1039250201 /nfs/dbraw/zinc/25/02/01/1039250201.db2.gz WEBSCBPYOMYHLR-UHFFFAOYSA-N -1 0 325.126 3.962 20 30 EHEDRM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ccc(F)cc3)o2)nc(C)n1 ZINC000041573879 1039280237 /nfs/dbraw/zinc/28/02/37/1039280237.db2.gz YITHZARFDBNFBB-OAHLLOKOSA-N -1 0 335.338 3.983 20 30 EHEDRM COc1ccc(C)cc1CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000027079985 1039833201 /nfs/dbraw/zinc/83/32/01/1039833201.db2.gz AGVZNWPJBYEKIK-VXLYETTFSA-N -1 0 348.786 3.932 20 30 EHEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000129414781 1039880758 /nfs/dbraw/zinc/88/07/58/1039880758.db2.gz GBBZNZDYKYZAFT-CYBMUJFWSA-N -1 0 344.823 3.670 20 30 EHEDRM C=CCN(CC1CCCCC1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000486354308 1040080908 /nfs/dbraw/zinc/08/09/08/1040080908.db2.gz NVFYFPMHUQRCAK-UHFFFAOYSA-N -1 0 339.439 3.786 20 30 EHEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCC2(CCOCC2)O1 ZINC000899227314 1040190762 /nfs/dbraw/zinc/19/07/62/1040190762.db2.gz JEGSTZDZWKIVSN-ATDWHHCWSA-N -1 0 344.238 3.846 20 30 EHEDRM O=C([O-])c1cc(/C=C\C(=O)c2cn3c(n2)CCCC3)sc1Cl ZINC000899372919 1040408997 /nfs/dbraw/zinc/40/89/97/1040408997.db2.gz DYNYANHVIKTBGX-PLNGDYQASA-N -1 0 336.800 3.529 20 30 EHEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)nc1C ZINC000486994331 1040636477 /nfs/dbraw/zinc/63/64/77/1040636477.db2.gz GAWVNSTXTUNIIT-OAHLLOKOSA-N -1 0 333.347 3.532 20 30 EHEDRM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)co1 ZINC000123667951 1040914957 /nfs/dbraw/zinc/91/49/57/1040914957.db2.gz DDOMYRRBZJCQKL-IUODEOHRSA-N -1 0 339.395 3.712 20 30 EHEDRM Cc1sc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c(C#N)c1C ZINC000899761963 1041088145 /nfs/dbraw/zinc/08/81/45/1041088145.db2.gz LXGLMAKWVVYRBP-CQSZACIVSA-N 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1044737756 /nfs/dbraw/zinc/73/77/56/1044737756.db2.gz OOTJSGAGDIDZQQ-OAHLLOKOSA-N -1 0 330.343 3.837 20 30 EHEDRM [O-]c1c(Br)cc(C=NOC2CCC2)cc1Br ZINC000812237384 1136187418 /nfs/dbraw/zinc/18/74/18/1136187418.db2.gz XLWJUFYJNXHWBH-UHFFFAOYSA-N -1 0 349.022 3.820 20 30 EHEDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000073290739 1127236129 /nfs/dbraw/zinc/23/61/29/1127236129.db2.gz AQSZEYJGXNPQCT-JKSUJKDBSA-N -1 0 345.505 3.838 20 30 EHEDRM COc1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1F ZINC000765615664 1127709510 /nfs/dbraw/zinc/70/95/10/1127709510.db2.gz HUUHOETVFDYFRR-LZGFCCKTSA-N -1 0 344.338 3.582 20 30 EHEDRM Cc1csc(C(C#N)=C([O-])c2sc([C@H]3CCCO3)nc2C)n1 ZINC000347519971 1128033111 /nfs/dbraw/zinc/03/31/11/1128033111.db2.gz OITKYJKLKGTYEW-GHMZBOCLSA-N -1 0 333.438 3.558 20 30 EHEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000054735792 1128485251 /nfs/dbraw/zinc/48/52/51/1128485251.db2.gz XKBYJENFNWWOHJ-AWEZNQCLSA-N -1 0 333.347 3.666 20 30 EHEDRM O=C([O-])c1csc(/C=C\C(=O)c2c(Cl)nc3sccn32)c1 ZINC000765827981 1128526819 /nfs/dbraw/zinc/52/68/19/1128526819.db2.gz ZQXKSKVXAUKHOW-UPHRSURJSA-N -1 0 338.797 3.705 20 30 EHEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185215453 1120404515 /nfs/dbraw/zinc/40/45/15/1120404515.db2.gz XLTMLZUGXSLKCY-UHFFFAOYSA-N -1 0 346.383 3.673 20 30 EHEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc21 ZINC000193258375 1120767643 /nfs/dbraw/zinc/76/76/43/1120767643.db2.gz PGXDKSGQPNLPPN-ZDUSSCGKSA-N -1 0 345.362 3.713 20 30 EHEDRM COCc1ccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000914773543 1120981967 /nfs/dbraw/zinc/98/19/67/1120981967.db2.gz NAKIKNGRXXLVLF-NVMNQCDNSA-N -1 0 334.759 3.719 20 30 EHEDRM C#CCOc1ccccc1-c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000761995752 1121042388 /nfs/dbraw/zinc/04/23/88/1121042388.db2.gz FFACZUJRSJTEBX-UHFFFAOYSA-N -1 0 326.739 3.775 20 30 EHEDRM Cc1csc(C(C#N)=C([O-])c2cnc3onc(C(C)C)c3c2)n1 ZINC000193269224 1121048795 /nfs/dbraw/zinc/04/87/95/1121048795.db2.gz SYWRPUVWQUORQO-GFCCVEGCSA-N -1 0 326.381 3.601 20 30 EHEDRM CC(=Cc1cc(C(F)(F)F)ccc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193609616 1121491772 /nfs/dbraw/zinc/49/17/72/1121491772.db2.gz SIBUGTNWYVPJSK-VMPITWQZSA-N -1 0 337.276 3.668 20 30 EHEDRM N#Cc1ccc(CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C2CC2)cc1 ZINC000194391364 1121876561 /nfs/dbraw/zinc/87/65/61/1121876561.db2.gz NKOSFTAOICWRHG-UHFFFAOYSA-N -1 0 344.773 3.861 20 30 EHEDRM O=C([O-])COc1cccc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c1 ZINC000763287693 1121943616 /nfs/dbraw/zinc/94/36/16/1121943616.db2.gz DLEFRPGQYGDLGN-CJMVGXJBSA-N -1 0 334.371 3.850 20 30 EHEDRM Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000915988058 1122012414 /nfs/dbraw/zinc/01/24/14/1122012414.db2.gz OHSWQRCDRPJCKA-BQYQJAHWSA-N -1 0 336.347 3.881 20 30 EHEDRM Cc1nc2sccn2c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000916259954 1122105697 /nfs/dbraw/zinc/10/56/97/1122105697.db2.gz WGELAIZKYVBJEQ-UHFFFAOYSA-N -1 0 334.788 3.502 20 30 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/nfs/dbraw/zinc/94/21/01/602942101.db2.gz PHXGTGDGQRVXMF-SFHVURJKSA-N -1 0 329.400 3.677 20 30 EHEDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1 ZINC000825416449 603178635 /nfs/dbraw/zinc/17/86/35/603178635.db2.gz KQMUCFCPHFDTCV-YKWSONSWSA-N -1 0 335.363 3.539 20 30 EHEDRM CCc1c(C)sc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1C#N ZINC000830209589 604390047 /nfs/dbraw/zinc/39/00/47/604390047.db2.gz NQUMALIBJADYRV-UHFFFAOYSA-N -1 0 332.356 3.580 20 30 EHEDRM C=C(C)[C@H](CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)OCC ZINC000833368789 604606619 /nfs/dbraw/zinc/60/66/19/604606619.db2.gz UWYYKVPVALUEKH-INIZCTEOSA-N -1 0 328.364 3.815 20 30 EHEDRM COc1cc2c(c(/C=C\C(=O)c3ccc(C(=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000831977967 604629941 /nfs/dbraw/zinc/62/99/41/604629941.db2.gz WHPQFPSSLOMTPI-QDZRJHCZSA-N -1 0 338.359 3.613 20 30 EHEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)cc1 ZINC000833310069 604630898 /nfs/dbraw/zinc/63/08/98/604630898.db2.gz MHEBBNCSXKAWRL-KMKOMSMNSA-N -1 0 346.342 3.863 20 30 EHEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)[C@@H](C)CCCCC(=O)[O-] ZINC000814821682 604638023 /nfs/dbraw/zinc/63/80/23/604638023.db2.gz FWDLHIXRUYCULC-NSHDSACASA-N -1 0 334.420 3.913 20 30 EHEDRM C=C[C@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000833370869 604771282 /nfs/dbraw/zinc/77/12/82/604771282.db2.gz IBFDUFRCZDLTMY-CQSZACIVSA-N -1 0 327.355 3.603 20 30 EHEDRM N#Cc1c(Cl)nsc1Nc1cccc(CSCC(=O)[O-])c1 ZINC000833761101 604827019 /nfs/dbraw/zinc/82/70/19/604827019.db2.gz NVXOSHNIFBJXAD-UHFFFAOYSA-N -1 0 339.829 3.730 20 30 EHEDRM C#CCCCCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000833363006 605007199 /nfs/dbraw/zinc/00/71/99/605007199.db2.gz WIRFSQYVRWOZSF-UHFFFAOYSA-N -1 0 342.420 3.569 20 30 EHEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNCc1ccc(Cl)cc1Cl ZINC000833406505 605039077 /nfs/dbraw/zinc/03/90/77/605039077.db2.gz NBFMCKAVJOUPJW-JTQLQIEISA-N -1 0 340.210 3.564 20 30 EHEDRM CC(=NN=c1[nH]c2ccccc2s1)c1ccccc1OCC(=O)[O-] ZINC000833387183 605323543 /nfs/dbraw/zinc/32/35/43/605323543.db2.gz SLCAQYBDXOUMCJ-UHFFFAOYSA-N -1 0 341.392 3.596 20 30 EHEDRM C#CCOc1cccc(N[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833367195 605357036 /nfs/dbraw/zinc/35/70/36/605357036.db2.gz SFENHNVRUVOGCK-INIZCTEOSA-N -1 0 333.746 3.729 20 30 EHEDRM CCN(Cc1ccccc1NCc1ccc(C#N)cc1F)C(=O)[O-] ZINC000827187271 605514270 /nfs/dbraw/zinc/51/42/70/605514270.db2.gz WBHDCQULTRTVMY-UHFFFAOYSA-N -1 0 327.359 3.809 20 30 EHEDRM N#Cc1cc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)ccn1 ZINC000833970491 605642541 /nfs/dbraw/zinc/64/25/41/605642541.db2.gz OENGFSIEPVXXPD-UHFFFAOYSA-N -1 0 336.273 3.674 20 30 EHEDRM C=CCN(CCc1ccccc1)C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833787762 606052861 /nfs/dbraw/zinc/05/28/61/606052861.db2.gz AKWBLRUZASRUHC-UHFFFAOYSA-N -1 0 338.407 3.576 20 30 EHEDRM O=C([O-])Nc1ccccc1CC(=O)OCC#Cc1cccc(Cl)c1 ZINC000834275338 606088726 /nfs/dbraw/zinc/08/87/26/606088726.db2.gz YTZJICUPXAWFRZ-UHFFFAOYSA-N -1 0 343.766 3.567 20 30 EHEDRM