smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000570577348 823056875 /nfs/dbraw/zinc/05/68/75/823056875.db2.gz XUTSZLQHFZXSKW-IWEFOYFVSA-N -1 3 392.908 4.061 20 0 GIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000056099505 823084004 /nfs/dbraw/zinc/08/40/04/823084004.db2.gz PSHPIMMYKZBMHZ-SFHVURJKSA-N -1 3 397.272 4.268 20 0 GIADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056222007 823106148 /nfs/dbraw/zinc/10/61/48/823106148.db2.gz UGZNSUZTVIDOSR-ZDUSSCGKSA-N -1 3 389.480 4.451 20 0 GIADHM O=c1cc(CS(=O)(=O)Cc2ccc(C3CCCCC3)cc2)nc(C2CC2)[n-]1 ZINC000570934263 823109487 /nfs/dbraw/zinc/10/94/87/823109487.db2.gz AFOADRQKJARJJW-UHFFFAOYSA-N -1 3 386.517 4.222 20 0 GIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC000176081793 823114568 /nfs/dbraw/zinc/11/45/68/823114568.db2.gz CLDHASDBVBNNON-UHFFFAOYSA-N -1 3 395.484 4.462 20 0 GIADHM Cc1ccc(-n2nc(-c3ccco3)cc2NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000121162585 823130178 /nfs/dbraw/zinc/13/01/78/823130178.db2.gz QWGUYGPEVILEIJ-IBGZPJMESA-N -1 3 382.420 4.020 20 0 GIADHM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000056365349 823137552 /nfs/dbraw/zinc/13/75/52/823137552.db2.gz OMLYBCQXTDZFJE-UHFFFAOYSA-N -1 3 380.875 4.423 20 0 GIADHM CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459377786 823177195 /nfs/dbraw/zinc/17/71/95/823177195.db2.gz VHELXOMQYGLGFY-UHFFFAOYSA-N -1 3 399.882 4.174 20 0 GIADHM C[C@@H]1CN(c2ccccc2NCc2cccc([O-])c2Br)C[C@H](C)O1 ZINC000459366049 823173780 /nfs/dbraw/zinc/17/37/80/823173780.db2.gz TWLOCYHUQPKUGK-OKILXGFUSA-N -1 3 391.309 4.380 20 0 GIADHM CC(C)c1ccc(-c2nc(CN(CCC(=O)[O-])C3CCOCC3)cs2)cc1 ZINC000571402849 823178220 /nfs/dbraw/zinc/17/82/20/823178220.db2.gz HOPQXOXRJMUIGB-UHFFFAOYSA-N -1 3 388.533 4.389 20 0 GIADHM C[C@@H](NCc1cccc([O-])c1Br)c1ccc(NC(=O)C2CC2)cc1 ZINC000459386620 823179913 /nfs/dbraw/zinc/17/99/13/823179913.db2.gz JMVXELXHUMZDDU-GFCCVEGCSA-N -1 3 389.293 4.354 20 0 GIADHM [O-]c1cccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1Br ZINC000459379416 823177661 /nfs/dbraw/zinc/17/76/61/823177661.db2.gz XZHJVNPVEUOIPC-IBGZPJMESA-N -1 3 390.277 4.167 20 0 GIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000571452482 823185047 /nfs/dbraw/zinc/18/50/47/823185047.db2.gz IGQMKPGLJDTHFU-SFHVURJKSA-N -1 3 377.488 4.209 20 0 GIADHM O=c1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc(C2CC2)[n-]1 ZINC000459408629 823186406 /nfs/dbraw/zinc/18/64/06/823186406.db2.gz XFUPCYMUCGPXRD-AWEZNQCLSA-N -1 3 391.315 4.472 20 0 GIADHM O=C([N-]c1cc(Br)c(F)cc1F)c1cc(-c2cccnc2)on1 ZINC000188144435 823193346 /nfs/dbraw/zinc/19/33/46/823193346.db2.gz WNFVAPZNPMCXJH-UHFFFAOYSA-N -1 3 380.148 4.030 20 0 GIADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000571511338 823194247 /nfs/dbraw/zinc/19/42/47/823194247.db2.gz ZNVNBWMNUIFWLD-CYBMUJFWSA-N -1 3 390.411 4.192 20 0 GIADHM O=C([O-])C[C@H](NCc1c[nH]nc1-c1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000571543321 823198300 /nfs/dbraw/zinc/19/83/00/823198300.db2.gz ABDQGAHMXFAVNX-HNNXBMFYSA-N -1 3 395.406 4.463 20 0 GIADHM CCOc1cc(CN[C@H](C(=O)OC)c2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000459498481 823204817 /nfs/dbraw/zinc/20/48/17/823204817.db2.gz LHJDOQVQKJJLHY-SFHVURJKSA-N -1 3 377.868 4.065 20 0 GIADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1C ZINC000121557747 823205373 /nfs/dbraw/zinc/20/53/73/823205373.db2.gz CMZYQPVFOLYJPY-UHFFFAOYSA-N -1 3 388.489 4.076 20 0 GIADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(OCc2cccnc2)c1 ZINC000176434584 823207145 /nfs/dbraw/zinc/20/71/45/823207145.db2.gz QRULILPQMKWUMS-UHFFFAOYSA-N -1 3 399.244 4.381 20 0 GIADHM Cc1cccc(CC2(O)CCN(Cc3cccc([O-])c3Br)CC2)c1 ZINC000459522561 823210773 /nfs/dbraw/zinc/21/07/73/823210773.db2.gz INEGUVULEMAZTN-UHFFFAOYSA-N -1 3 390.321 4.033 20 0 GIADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccc(Br)cc1Cl ZINC000188298311 823216204 /nfs/dbraw/zinc/21/62/04/823216204.db2.gz APJQKDCPZQGVLO-NTUHNPAUSA-N -1 3 391.652 4.031 20 0 GIADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1C ZINC000176628112 823252435 /nfs/dbraw/zinc/25/24/35/823252435.db2.gz TXLQSKRQBAQSRL-UHFFFAOYSA-N -1 3 386.879 4.153 20 0 GIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OCC)cc2)cc1 ZINC000057122490 823251301 /nfs/dbraw/zinc/25/13/01/823251301.db2.gz KKZRRYGQHZQDAG-UHFFFAOYSA-N -1 3 376.478 4.033 20 0 GIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc4c(c3)nc(C(F)F)n4C)[nH][n-]2)c1 ZINC000409622351 823264368 /nfs/dbraw/zinc/26/43/68/823264368.db2.gz DRJATXBPCGEUDL-UHFFFAOYSA-N -1 3 395.413 4.192 20 0 GIADHM Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3ccc([O-])cc3)cs2)c1 ZINC000003534764 817480500 /nfs/dbraw/zinc/48/05/00/817480500.db2.gz PAMGJOYYJYQYAY-UHFFFAOYSA-N -1 3 396.468 4.004 20 0 GIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000004274803 817515596 /nfs/dbraw/zinc/51/55/96/817515596.db2.gz KHHGPWNWCYRBAF-VIFPVBQESA-N -1 3 394.399 4.121 20 0 GIADHM CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176702440 823271589 /nfs/dbraw/zinc/27/15/89/823271589.db2.gz NFCDLVRXQXUGRG-VAWYXSNFSA-N -1 3 380.466 4.012 20 0 GIADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccccc3Cl)nc(=O)c2c1C ZINC000005983467 817636417 /nfs/dbraw/zinc/63/64/17/817636417.db2.gz KNAYBZJOEJZFCE-JTQLQIEISA-N -1 3 376.865 4.102 20 0 GIADHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cnc2ccccc2n1 ZINC000007213563 817795133 /nfs/dbraw/zinc/79/51/33/817795133.db2.gz NMQFEWLKWUXABT-UHFFFAOYSA-N -1 3 397.460 4.165 20 0 GIADHM CCc1nnc([N-]C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)s1 ZINC000007346827 817822001 /nfs/dbraw/zinc/82/20/01/817822001.db2.gz RAXIXVZDIPLCNM-UHFFFAOYSA-N -1 3 383.502 4.121 20 0 GIADHM O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000176786252 823292402 /nfs/dbraw/zinc/29/24/02/823292402.db2.gz SIBMPLSXACRRJY-UHFFFAOYSA-N -1 3 399.450 4.006 20 0 GIADHM COc1cccc(Cc2nnc([N-]C(=O)c3scnc3C(C)(C)C)s2)c1 ZINC000176787691 823292625 /nfs/dbraw/zinc/29/26/25/823292625.db2.gz ATOSOBSZPFODFK-UHFFFAOYSA-N -1 3 388.518 4.144 20 0 GIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000176803735 823296777 /nfs/dbraw/zinc/29/67/77/823296777.db2.gz QNVOOTRSKLETMH-RTBURBONSA-N -1 3 384.501 4.089 20 0 GIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000176803781 823297075 /nfs/dbraw/zinc/29/70/75/823297075.db2.gz QNVOOTRSKLETMH-OALUTQOASA-N -1 3 384.501 4.089 20 0 GIADHM CCc1cc2c(CN(Cc3cccs3)C[C@H]3CCCO3)cc(=O)oc2cc1[O-] ZINC000007927426 817961794 /nfs/dbraw/zinc/96/17/94/817961794.db2.gz UGLOIEKAWGQQPH-QGZVFWFLSA-N -1 3 399.512 4.304 20 0 GIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(F)cc3Cl)nc(=O)c2c1C ZINC000011455570 818083400 /nfs/dbraw/zinc/08/34/00/818083400.db2.gz OIJCGSUNCCFOAA-QMMMGPOBSA-N -1 3 380.828 4.312 20 0 GIADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000011901734 818127840 /nfs/dbraw/zinc/12/78/40/818127840.db2.gz BRAMNAQMHREJRA-UHFFFAOYSA-N -1 3 386.300 4.012 20 0 GIADHM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)S1 ZINC000015055845 818287049 /nfs/dbraw/zinc/28/70/49/818287049.db2.gz SUMSYVBJVINGRU-DHDCSXOGSA-N -1 3 390.258 4.352 20 0 GIADHM Cc1nc(-c2ccc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2)cs1 ZINC000015365979 818317818 /nfs/dbraw/zinc/31/78/18/818317818.db2.gz JNXLRDQCLXOHDQ-UHFFFAOYSA-N -1 3 398.962 4.354 20 0 GIADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 ZINC000015557323 818338440 /nfs/dbraw/zinc/33/84/40/818338440.db2.gz GGVURVPLVKTBAW-JTQLQIEISA-N -1 3 394.949 4.323 20 0 GIADHM COC(=O)CCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000188949905 823332275 /nfs/dbraw/zinc/33/22/75/823332275.db2.gz UJSWDNWINYOQPW-UHFFFAOYSA-N -1 3 384.457 4.341 20 0 GIADHM CCc1cccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[O-] ZINC000122295684 823333929 /nfs/dbraw/zinc/33/39/29/823333929.db2.gz RVMYOUHEQHSNHH-GFCCVEGCSA-N -1 3 384.423 4.450 20 0 GIADHM Cc1nnc([N-]C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)s1 ZINC000016707385 818467060 /nfs/dbraw/zinc/46/70/60/818467060.db2.gz QMUCCBWENQWMRC-UHFFFAOYSA-N -1 3 380.882 4.096 20 0 GIADHM O[C@H](COCc1cccs1)CSc1nnc([N-]c2ccccc2F)s1 ZINC000058007424 823354220 /nfs/dbraw/zinc/35/42/20/823354220.db2.gz NWHCHZUIQYGKTO-LLVKDONJSA-N -1 3 397.522 4.152 20 0 GIADHM C[C@@H]1CC[C@@H](CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000177056095 823360737 /nfs/dbraw/zinc/36/07/37/823360737.db2.gz XSPCGRXEYHBRAQ-ZIAGYGMSSA-N -1 3 378.900 4.049 20 0 GIADHM CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000122502064 823363977 /nfs/dbraw/zinc/36/39/77/823363977.db2.gz AGMSHUQTYVNKCK-UHFFFAOYSA-N -1 3 399.410 4.114 20 0 GIADHM CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000122502064 823363983 /nfs/dbraw/zinc/36/39/83/823363983.db2.gz AGMSHUQTYVNKCK-UHFFFAOYSA-N -1 3 399.410 4.114 20 0 GIADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022475148 818812767 /nfs/dbraw/zinc/81/27/67/818812767.db2.gz IYOJYTWNZZARRY-OAHLLOKOSA-N -1 3 377.396 4.369 20 0 GIADHM CN1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)[C@@H](c2ccccc2)C1 ZINC000058205863 823368816 /nfs/dbraw/zinc/36/88/16/823368816.db2.gz GJWUYZJBGPWHKR-LJQANCHMSA-N -1 3 385.581 4.010 20 0 GIADHM Cc1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c([O-])ccc34)o2)cc1 ZINC000023896055 818991336 /nfs/dbraw/zinc/99/13/36/818991336.db2.gz NCECQGKRKGQSCR-UHFFFAOYSA-N -1 3 380.425 4.458 20 0 GIADHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000024427233 819056041 /nfs/dbraw/zinc/05/60/41/819056041.db2.gz FAOPUBZQZMXPEC-UHFFFAOYSA-N -1 3 389.521 4.315 20 0 GIADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000573008894 823433034 /nfs/dbraw/zinc/43/30/34/823433034.db2.gz GKUZZTVFZFMITP-DIFFPNOSSA-N -1 3 383.370 4.003 20 0 GIADHM COc1ccc(-c2cc3[n-]c(CN4CCCCCCC4)nc(=O)c3s2)cc1 ZINC000024716532 819868353 /nfs/dbraw/zinc/86/83/53/819868353.db2.gz ZRGLJAKNVVXVGV-UHFFFAOYSA-N -1 3 383.517 4.426 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)Cc3cccc(Cl)c3)cc2)n1 ZINC000122992109 823444874 /nfs/dbraw/zinc/44/48/74/823444874.db2.gz JSGZCBXTDXVEGJ-ZDUSSCGKSA-N -1 3 381.863 4.216 20 0 GIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccccc1F ZINC000058786242 823451690 /nfs/dbraw/zinc/45/16/90/823451690.db2.gz GTJLAXIIIHSBDA-OAQYLSRUSA-N -1 3 393.414 4.136 20 0 GIADHM CN(Cc1ccc(Br)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000026841167 820152364 /nfs/dbraw/zinc/15/23/64/820152364.db2.gz DQMDCDWWVPAMKI-UHFFFAOYSA-N -1 3 398.260 4.476 20 0 GIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)CC)ccc2C)cc1 ZINC000028403583 820333236 /nfs/dbraw/zinc/33/32/36/820333236.db2.gz BMPOQDJMGPJKPL-AWEZNQCLSA-N -1 3 390.505 4.179 20 0 GIADHM COc1ccc(-c2ccc(/C=C/C(=O)c3ccc([O-])c(OC)c3)o2)c([N+](=O)[O-])c1 ZINC000028913244 820372066 /nfs/dbraw/zinc/37/20/66/820372066.db2.gz HUNAOYRLRWHYFL-WEVVVXLNSA-N -1 3 395.367 4.474 20 0 GIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000029048350 820386997 /nfs/dbraw/zinc/38/69/97/820386997.db2.gz ZJDPUXQMZSPBSV-UHFFFAOYSA-N -1 3 390.505 4.117 20 0 GIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000029388600 820448273 /nfs/dbraw/zinc/44/82/73/820448273.db2.gz HXXGPRQDHGTURO-UHFFFAOYSA-N -1 3 383.333 4.291 20 0 GIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000029388600 820448276 /nfs/dbraw/zinc/44/82/76/820448276.db2.gz HXXGPRQDHGTURO-UHFFFAOYSA-N -1 3 383.333 4.291 20 0 GIADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000030004436 820566735 /nfs/dbraw/zinc/56/67/35/820566735.db2.gz WLLZQZNKUBPPMU-QGZVFWFLSA-N -1 3 399.343 4.109 20 0 GIADHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000030418989 820615235 /nfs/dbraw/zinc/61/52/35/820615235.db2.gz GZCIFYSSRRMAHN-UHFFFAOYSA-N -1 3 385.316 4.072 20 0 GIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1C ZINC000410423878 823493440 /nfs/dbraw/zinc/49/34/40/823493440.db2.gz ZUAKQVKAPYAUKJ-UHFFFAOYSA-N -1 3 391.251 4.200 20 0 GIADHM CC(=O)Nc1ccc2nc([N-]C(=O)c3cc(-c4ccc(C)cc4)no3)sc2c1 ZINC000031271976 820784434 /nfs/dbraw/zinc/78/44/34/820784434.db2.gz CKCXEXXQVCEQII-UHFFFAOYSA-N -1 3 392.440 4.470 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC(C)(C)C ZINC000031759743 820856076 /nfs/dbraw/zinc/85/60/76/820856076.db2.gz CMPDQMQRBXAVFU-UHFFFAOYSA-N -1 3 392.496 4.101 20 0 GIADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(OC)cc1 ZINC000032552161 820967494 /nfs/dbraw/zinc/96/74/94/820967494.db2.gz HBWHCMRSJCPZHJ-NSHDSACASA-N -1 3 380.318 4.493 20 0 GIADHM CCCc1cccc(C(C)C)c1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000189965657 823518741 /nfs/dbraw/zinc/51/87/41/823518741.db2.gz FHZCCHMOQHRWOV-UHFFFAOYSA-N -1 3 383.492 4.020 20 0 GIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1 ZINC000032592414 820974548 /nfs/dbraw/zinc/97/45/48/820974548.db2.gz YJEGMUVGLQXSIU-UHFFFAOYSA-N -1 3 383.473 4.042 20 0 GIADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cc(Cl)ccc1Cl ZINC000032632507 820980931 /nfs/dbraw/zinc/98/09/31/820980931.db2.gz KGQWTQJZXPCNMJ-UHFFFAOYSA-N -1 3 394.663 4.219 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CC)OC3CCCCC3)c2)n1 ZINC000123555770 823520993 /nfs/dbraw/zinc/52/09/93/823520993.db2.gz NAYLCNSQJWOBEV-LJQANCHMSA-N -1 3 383.492 4.066 20 0 GIADHM C[C@@H](SCCOCC(F)F)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000190007662 823525045 /nfs/dbraw/zinc/52/50/45/823525045.db2.gz TVVQEUPHQYRRPX-SECBINFHSA-N -1 3 386.445 4.321 20 0 GIADHM CCCCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042993575 821353146 /nfs/dbraw/zinc/35/31/46/821353146.db2.gz LLJOUPPSSXOQIH-AWEZNQCLSA-N -1 3 395.931 4.375 20 0 GIADHM COCc1ccsc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000180765051 821442038 /nfs/dbraw/zinc/44/20/38/821442038.db2.gz CZLDTTWCRUTXQR-UHFFFAOYSA-N -1 3 377.516 4.291 20 0 GIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)c(C)s1 ZINC000180974068 821566693 /nfs/dbraw/zinc/56/66/93/821566693.db2.gz MMTXTLAYSQPEPH-UHFFFAOYSA-N -1 3 396.603 4.023 20 0 GIADHM 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GIADHM Cc1nc(C)c(C(=O)[N-]c2nnc(Cc3ccc(C(F)(F)F)cc3)s2)o1 ZINC000412605279 823666400 /nfs/dbraw/zinc/66/64/00/823666400.db2.gz UMSPWRDGEXYYEU-UHFFFAOYSA-N -1 3 382.367 4.005 20 0 GIADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000125397879 823673184 /nfs/dbraw/zinc/67/31/84/823673184.db2.gz GZDVIIWYAOXTMP-LLVKDONJSA-N -1 3 385.370 4.122 20 0 GIADHM COc1ccc(OCc2nc(=O)c3c(-c4ccc(OC)cc4)csc3[n-]2)cc1 ZINC000063579780 823680911 /nfs/dbraw/zinc/68/09/11/823680911.db2.gz KUERGGQIDFJTEC-UHFFFAOYSA-N -1 3 394.452 4.248 20 0 GIADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000125694371 823697506 /nfs/dbraw/zinc/69/75/06/823697506.db2.gz BICOSPBPSQZGHK-UHFFFAOYSA-N -1 3 393.512 4.207 20 0 GIADHM O=c1[n-]c(Cn2c3ccccc3nc2C(F)(F)F)nc2c3ccccc3oc21 ZINC000125696798 823697636 /nfs/dbraw/zinc/69/76/36/823697636.db2.gz VRMCRNFZJMFCNY-UHFFFAOYSA-N -1 3 384.317 4.086 20 0 GIADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000163778232 823748112 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CC[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)CC(F)(F)F ZINC000413909974 823864632 /nfs/dbraw/zinc/86/46/32/823864632.db2.gz NLAJYGPCJPWGTA-LBPRGKRZSA-N -1 3 382.386 4.258 20 0 GIADHM Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000462198100 823865643 /nfs/dbraw/zinc/86/56/43/823865643.db2.gz XLZHTQQHZAKVAF-UHFFFAOYSA-N -1 3 381.173 4.191 20 0 GIADHM CSc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Cl ZINC000413958750 823877901 /nfs/dbraw/zinc/87/79/01/823877901.db2.gz OXKCQZXEFQQLMQ-OAHLLOKOSA-N -1 3 390.892 4.011 20 0 GIADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(-c2ccccc2)cs1 ZINC000462281898 823911697 /nfs/dbraw/zinc/91/16/97/823911697.db2.gz UMCQVGFVHITGDU-SNVBAGLBSA-N -1 3 398.431 4.267 20 0 GIADHM COc1ccc(CCC/N=C/c2cc(Br)ccc2[O-])cc1OC ZINC000064925442 823912971 /nfs/dbraw/zinc/91/29/71/823912971.db2.gz JROSTVKOIDKZJM-UDWIEESQSA-N -1 3 378.266 4.224 20 0 GIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(C)c1 ZINC000064938248 823916017 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COc1ccc(-c2csc(CNC(=O)NCc3ccc([O-])c(F)c3)c2)cc1 ZINC000176390056 823196598 /nfs/dbraw/zinc/19/65/98/823196598.db2.gz PRTYXZMGPPYUHT-UHFFFAOYSA-N -1 3 386.448 4.268 20 0 GIADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496146 823204208 /nfs/dbraw/zinc/20/42/08/823204208.db2.gz WRGUNJIMDCJAHC-YVEFUNNKSA-N -1 3 393.409 4.040 20 0 GIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)CSc3ccc(F)cc3)c2)n1 ZINC000121612408 823215899 /nfs/dbraw/zinc/21/58/99/823215899.db2.gz RYTYLYQGKHQQQJ-CYBMUJFWSA-N -1 3 398.459 4.218 20 0 GIADHM CCOc1cc(CNc2ccc(F)c(N3CCCNC3=O)c2)cc(Cl)c1[O-] ZINC000459559553 823220053 /nfs/dbraw/zinc/22/00/53/823220053.db2.gz KUASFXFHNWMDPY-UHFFFAOYSA-N -1 3 393.846 4.115 20 0 GIADHM CCOc1cc(CNCc2nc(C)c(Br)s2)cc(Cl)c1[O-] ZINC000459561510 823220483 /nfs/dbraw/zinc/22/04/83/823220483.db2.gz DYFDFFNEGAJUBR-UHFFFAOYSA-N -1 3 391.718 4.262 20 0 GIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(C2CCC(C)CC2)no1 ZINC000571697415 823220968 /nfs/dbraw/zinc/22/09/68/823220968.db2.gz ZEUNILBAORSUSN-OTTFEQOBSA-N -1 3 383.901 4.056 20 0 GIADHM [O-]c1cccc(CN[C@H](c2ccccc2)C2(CO)CCC2)c1Br ZINC000459580552 823224701 /nfs/dbraw/zinc/22/47/01/823224701.db2.gz BHFUACQNDXCBAR-GOSISDBHSA-N -1 3 376.294 4.148 20 0 GIADHM CC[C@H](C)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000176644443 823256106 /nfs/dbraw/zinc/25/61/06/823256106.db2.gz OTSOAPJHAZVWMY-HNNXBMFYSA-N -1 3 392.496 4.135 20 0 GIADHM COc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000003469346 817462284 /nfs/dbraw/zinc/46/22/84/817462284.db2.gz AODRKOABPYIWAX-UHFFFAOYSA-N -1 3 390.465 4.160 20 0 GIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CSc3ccccc3C)nc(=O)c2c1C ZINC000004252159 817513862 /nfs/dbraw/zinc/51/38/62/817513862.db2.gz LFDZHZIRTFEWOG-GFCCVEGCSA-N -1 3 388.514 4.306 20 0 GIADHM COc1ccc(Cl)cc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000004274886 817515527 /nfs/dbraw/zinc/51/55/27/817515527.db2.gz IHDPPKDBYKZDQQ-VIFPVBQESA-N -1 3 392.864 4.181 20 0 GIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccccc3Cl)nc(=O)c2c1C ZINC000005983466 817636530 /nfs/dbraw/zinc/63/65/30/817636530.db2.gz KNAYBZJOEJZFCE-SNVBAGLBSA-N -1 3 376.865 4.102 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000057289336 823276270 /nfs/dbraw/zinc/27/62/70/823276270.db2.gz CKMITXHDPJGJOF-CYBMUJFWSA-N -1 3 393.270 4.190 20 0 GIADHM C[C@H](Sc1nncs1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000006465616 817695310 /nfs/dbraw/zinc/69/53/10/817695310.db2.gz GZJBBPXNQQMHOH-ZETCQYMHSA-N -1 3 378.529 4.418 20 0 GIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCc3ccccc3)nc(=O)c2c1C ZINC000007049955 817747148 /nfs/dbraw/zinc/74/71/48/817747148.db2.gz JHSDMIGLKOWFJP-GFCCVEGCSA-N -1 3 388.514 4.464 20 0 GIADHM CCCN(CCC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000057379344 823285143 /nfs/dbraw/zinc/28/51/43/823285143.db2.gz IAAMRGTVAMCNHT-UHFFFAOYSA-N -1 3 388.533 4.366 20 0 GIADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2cccc(Br)c2)CC1 ZINC000572168965 823293747 /nfs/dbraw/zinc/29/37/47/823293747.db2.gz SBHWWLMCXJYSKM-UHFFFAOYSA-N -1 3 378.266 4.428 20 0 GIADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000008286990 818029907 /nfs/dbraw/zinc/02/99/07/818029907.db2.gz LLOXQMNTBPXVKN-UHFFFAOYSA-N -1 3 384.432 4.187 20 0 GIADHM C[C@H]1CCN(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c2ccccc2S1 ZINC000011810148 818121712 /nfs/dbraw/zinc/12/17/12/818121712.db2.gz CWUSNGOHGJSJEL-JTQLQIEISA-N -1 3 399.299 4.396 20 0 GIADHM CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810337 818121969 /nfs/dbraw/zinc/12/19/69/818121969.db2.gz WJXPVOFJVIBCPN-UHFFFAOYSA-N -1 3 383.275 4.226 20 0 GIADHM Cc1cccc2nc(C3CCN(C(=O)NCc4ccc([O-])c(F)c4)CC3)oc21 ZINC000188883640 823322511 /nfs/dbraw/zinc/32/25/11/823322511.db2.gz YDIKRPKLWOZUOQ-UHFFFAOYSA-N -1 3 383.423 4.070 20 0 GIADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)nc21 ZINC000409847271 823324078 /nfs/dbraw/zinc/32/40/78/823324078.db2.gz WNZAFWOKWIVAOW-JTQLQIEISA-N -1 3 391.349 4.111 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)cc1 ZINC000409870050 823331152 /nfs/dbraw/zinc/33/11/52/823331152.db2.gz LZRIWZPDAZGYQD-UHFFFAOYSA-N -1 3 381.881 4.471 20 0 GIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000016122664 818395978 /nfs/dbraw/zinc/39/59/78/818395978.db2.gz KUNGANBHGBYUDH-UHFFFAOYSA-N -1 3 384.423 4.415 20 0 GIADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000176968607 823337813 /nfs/dbraw/zinc/33/78/13/823337813.db2.gz JHLCWGHNVAMNPG-UHFFFAOYSA-N -1 3 399.863 4.257 20 0 GIADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)[n-]1 ZINC000057814840 823336135 /nfs/dbraw/zinc/33/61/35/823336135.db2.gz UUBLIPZLKQJHEW-JOCHJYFZSA-N -1 3 383.536 4.031 20 0 GIADHM CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C(C)C)cc1 ZINC000057815120 823336184 /nfs/dbraw/zinc/33/61/84/823336184.db2.gz UVKVFJTWSDJXPL-QRQCRPRQSA-N -1 3 383.536 4.346 20 0 GIADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000058059550 823358331 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GIADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1[C@H](C)c1ccccc1 ZINC000122618689 823382467 /nfs/dbraw/zinc/38/24/67/823382467.db2.gz NKLLGIVUHHFDFW-OAHLLOKOSA-N -1 3 386.459 4.147 20 0 GIADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)n1[C@H](C)c1ccccc1 ZINC000122618689 823382470 /nfs/dbraw/zinc/38/24/70/823382470.db2.gz NKLLGIVUHHFDFW-OAHLLOKOSA-N -1 3 386.459 4.147 20 0 GIADHM CCCCOc1ccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000058418231 823388179 /nfs/dbraw/zinc/38/81/79/823388179.db2.gz UHASEHOPFJBQLL-HNNXBMFYSA-N -1 3 394.471 4.207 20 0 GIADHM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000189556030 823443002 /nfs/dbraw/zinc/44/30/02/823443002.db2.gz NIKCRIRWNIKQBV-UHFFFAOYSA-N -1 3 394.324 4.444 20 0 GIADHM CC(C)(C)C(=O)N1CCC(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000573074881 823444340 /nfs/dbraw/zinc/44/43/40/823444340.db2.gz HRVXZDJUMSWRKK-UHFFFAOYSA-N -1 3 399.560 4.367 20 0 GIADHM Cc1ccccc1COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000058786282 823451699 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COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1F ZINC000031072759 820734385 /nfs/dbraw/zinc/73/43/85/820734385.db2.gz NHAKJLQOGSUKDC-ZETCQYMHSA-N -1 3 384.281 4.242 20 0 GIADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1F ZINC000032408868 820936400 /nfs/dbraw/zinc/93/64/00/820936400.db2.gz SDKWHMQEQIZZMS-LBPRGKRZSA-N -1 3 375.849 4.134 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1C ZINC000032631474 820981112 /nfs/dbraw/zinc/98/11/12/820981112.db2.gz NZNHXXYBWGEQFU-NRFANRHFSA-N -1 3 392.480 4.460 20 0 GIADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1 ZINC000460826561 823523687 /nfs/dbraw/zinc/52/36/87/823523687.db2.gz AXUCIIUSAMMUEX-UHFFFAOYSA-N -1 3 389.517 4.416 20 0 GIADHM O=C(N[N-]C(=O)c1ccc(Cl)cc1Cl)c1cc2cc(Cl)ccc2[nH]1 ZINC000038446319 821096506 /nfs/dbraw/zinc/09/65/06/821096506.db2.gz UKMDVDAVNURLQT-UHFFFAOYSA-N -1 3 382.634 4.203 20 0 GIADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)c1nnnn1-c1ccccc1 ZINC000041575075 821212514 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CSc1ccc(Cl)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000178022166 822287087 /nfs/dbraw/zinc/28/70/87/822287087.db2.gz QPEGDOUPRNMNLT-UHFFFAOYSA-N -1 3 386.698 4.460 20 0 GIADHM CCc1oc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1C ZINC000178024319 822287445 /nfs/dbraw/zinc/28/74/45/822287445.db2.gz RQFZWYGFPFNNLQ-UHFFFAOYSA-N -1 3 390.867 4.000 20 0 GIADHM CCCOc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182731968 822359216 /nfs/dbraw/zinc/35/92/16/822359216.db2.gz ZHMPWRNMPWEKGT-CQSZACIVSA-N -1 3 378.494 4.029 20 0 GIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000178469991 822382429 /nfs/dbraw/zinc/38/24/29/822382429.db2.gz ZRTJERCJFLRKAU-KRWDZBQOSA-N -1 3 375.266 4.105 20 0 GIADHM CC[C@@H]1CCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182999330 822408560 /nfs/dbraw/zinc/40/85/60/822408560.db2.gz GCSXHMWMYMOCEV-TZIWHRDSSA-N -1 3 380.488 4.045 20 0 GIADHM C[C@H](c1ccco1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183186856 822437848 /nfs/dbraw/zinc/43/78/48/822437848.db2.gz HCLXLLOUQYLFSF-UZLBHIALSA-N -1 3 392.455 4.066 20 0 GIADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)C(c2ccccc2)c2ccccc2)[n-]1 ZINC000179101284 822438129 /nfs/dbraw/zinc/43/81/29/822438129.db2.gz OCDFCLVIFAPPIE-MHZLTWQESA-N -1 3 392.402 4.239 20 0 GIADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)C(c2ccccc2)c2ccccc2)[n-]1 ZINC000179101298 822438272 /nfs/dbraw/zinc/43/82/72/822438272.db2.gz OCDFCLVIFAPPIE-HHHXNRCGSA-N -1 3 392.402 4.239 20 0 GIADHM COC(=O)c1cccc2[n-]c(NC(=O)CC3CCC(C(F)(F)F)CC3)nc21 ZINC000183469848 822479889 /nfs/dbraw/zinc/47/98/89/822479889.db2.gz GWMMRAXPVNHRFR-UHFFFAOYSA-N -1 3 383.370 4.047 20 0 GIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC000179459042 822486148 /nfs/dbraw/zinc/48/61/48/822486148.db2.gz HWFCJCILKRAGIM-UHFFFAOYSA-N -1 3 397.475 4.124 20 0 GIADHM C[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC000183550359 822493596 /nfs/dbraw/zinc/49/35/96/822493596.db2.gz JROAOMMPNCEISG-CQSZACIVSA-N -1 3 386.879 4.026 20 0 GIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(F)cccc1I ZINC000179640114 822517932 /nfs/dbraw/zinc/51/79/32/822517932.db2.gz QHDYGZQOKDZOAE-UHFFFAOYSA-N -1 3 391.567 4.042 20 0 GIADHM O=C([O-])c1ccccc1OCCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000183928770 822548744 /nfs/dbraw/zinc/54/87/44/822548744.db2.gz ZLKSJAIWARRQNM-AWEZNQCLSA-N -1 3 396.270 4.224 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000047324125 822566119 /nfs/dbraw/zinc/56/61/19/822566119.db2.gz UQDHJSLNQVLJGP-UHFFFAOYSA-N -1 3 391.830 4.067 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N(CC)CC)cc3)c2)n1 ZINC000179939252 822581211 /nfs/dbraw/zinc/58/12/11/822581211.db2.gz UUWUCQZGFSVEDO-UHFFFAOYSA-N -1 3 390.487 4.098 20 0 GIADHM CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000184180506 822591875 /nfs/dbraw/zinc/59/18/75/822591875.db2.gz NDRJARQEUOTAIZ-NRFANRHFSA-N -1 3 380.488 4.045 20 0 GIADHM O=C([N-]c1c(F)cc(Br)cc1F)c1ncccc1C(F)(F)F ZINC000180179413 822633548 /nfs/dbraw/zinc/63/35/48/822633548.db2.gz LDJZSCPKGYTMRE-UHFFFAOYSA-N -1 3 381.098 4.393 20 0 GIADHM O=c1cc(CNC2(c3ccc(Br)cc3)CC2)c2ccc([O-])cc2o1 ZINC000180244654 822647262 /nfs/dbraw/zinc/64/72/62/822647262.db2.gz LIBIKMHVHNDAHP-UHFFFAOYSA-N -1 3 386.245 4.040 20 0 GIADHM CCOc1cc(-c2nc3ccccc3n2CCOC)cc(Br)c1[O-] ZINC000048880372 822687673 /nfs/dbraw/zinc/68/76/73/822687673.db2.gz LTYDLYOTDXDJSU-UHFFFAOYSA-N -1 3 391.265 4.217 20 0 GIADHM O=c1nc(-c2cc(OCC(F)F)ccn2)[n-]c2scc(-c3ccccc3)c21 ZINC000180487317 822689914 /nfs/dbraw/zinc/68/99/14/822689914.db2.gz UWEDZPIAYUJEOE-UHFFFAOYSA-N -1 3 385.395 4.358 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCSc3ccc(F)cc3)c2)n1 ZINC000049304175 822697851 /nfs/dbraw/zinc/69/78/51/822697851.db2.gz YCFOGZNUSFYCJK-UHFFFAOYSA-N -1 3 397.475 4.259 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)n1 ZINC000049303753 822697855 /nfs/dbraw/zinc/69/78/55/822697855.db2.gz JESDZBCCJRUMEG-UHFFFAOYSA-N -1 3 391.446 4.199 20 0 GIADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000184961228 822718905 /nfs/dbraw/zinc/71/89/05/822718905.db2.gz HGACGWBNNDBMJX-HNNXBMFYSA-N -1 3 386.517 4.050 20 0 GIADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1 ZINC000184961205 822719039 /nfs/dbraw/zinc/71/90/39/822719039.db2.gz HGACGWBNNDBMJX-OAHLLOKOSA-N -1 3 386.517 4.050 20 0 GIADHM C[C@@H](N[C@@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(F)cc1[O-] ZINC000185180198 822746152 /nfs/dbraw/zinc/74/61/52/822746152.db2.gz HTUHLDJKHKCSON-MNOVXSKESA-N -1 3 396.256 4.477 20 0 GIADHM CC(C)(NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCC1 ZINC000456166934 822785728 /nfs/dbraw/zinc/78/57/28/822785728.db2.gz MPUWEVLAYCCLAM-UHFFFAOYSA-N -1 3 397.700 4.253 20 0 GIADHM Cc1ccc(Sc2nsc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000174556541 822804734 /nfs/dbraw/zinc/80/47/34/822804734.db2.gz YNPBJSIMKQIDJL-UHFFFAOYSA-N -1 3 394.481 4.092 20 0 GIADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000052948812 822816534 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Cc1nnc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000018325710 818564410 /nfs/dbraw/zinc/56/44/10/818564410.db2.gz IKUSHXBMXQDDKU-SSDOTTSWSA-N -1 3 376.488 4.258 20 0 GIADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)sc1C ZINC000122425714 823352160 /nfs/dbraw/zinc/35/21/60/823352160.db2.gz WBFMZYNTADFDCF-UHFFFAOYSA-N -1 3 379.334 4.280 20 0 GIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)sc2C)c1 ZINC000122428439 823352473 /nfs/dbraw/zinc/35/24/73/823352473.db2.gz YOZORBFIQQXPIZ-UHFFFAOYSA-N -1 3 396.715 4.282 20 0 GIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c(C)c1 ZINC000021087114 818652237 /nfs/dbraw/zinc/65/22/37/818652237.db2.gz IMAMZWJKQVIZFY-UHFFFAOYSA-N -1 3 392.484 4.122 20 0 GIADHM O=C(c1cc(Cl)ccc1[O-])N1CCN(Cc2cccc3ccccc32)CC1 ZINC000021935533 818757226 /nfs/dbraw/zinc/75/72/26/818757226.db2.gz HUWZTVNDUKRPCG-UHFFFAOYSA-N -1 3 380.875 4.157 20 0 GIADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022475150 818812746 /nfs/dbraw/zinc/81/27/46/818812746.db2.gz 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ZINC000122774000 823409894 /nfs/dbraw/zinc/40/98/94/823409894.db2.gz FAUJNTXPVDCFOB-UHFFFAOYSA-N -1 3 395.455 4.196 20 0 GIADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(F)c1Br ZINC000572939042 823423996 /nfs/dbraw/zinc/42/39/96/823423996.db2.gz UCRCQCWVZGGZRZ-UHFFFAOYSA-N -1 3 389.018 4.309 20 0 GIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000024890220 819889447 /nfs/dbraw/zinc/88/94/47/819889447.db2.gz VNWXYOHRNVLPNB-UHFFFAOYSA-N -1 3 380.878 4.179 20 0 GIADHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024890406 819890046 /nfs/dbraw/zinc/89/00/46/819890046.db2.gz NLODABREUFKJSV-UHFFFAOYSA-N -1 3 378.837 4.018 20 0 GIADHM O=C(OCc1c(Cl)cccc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000058721338 823438801 /nfs/dbraw/zinc/43/88/01/823438801.db2.gz VBZPXNPUAQMPBX-MRXNPFEDSA-N -1 3 394.254 4.047 20 0 GIADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000573052752 823440768 /nfs/dbraw/zinc/44/07/68/823440768.db2.gz RKVJMRXQXOQWPD-UHFFFAOYSA-N -1 3 391.436 4.382 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCCC(C)C ZINC000025328165 819963173 /nfs/dbraw/zinc/96/31/73/819963173.db2.gz FVPPYXATTQPKMI-UHFFFAOYSA-N -1 3 392.496 4.101 20 0 GIADHM C[C@@H]1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000573090224 823445851 /nfs/dbraw/zinc/44/58/51/823445851.db2.gz XMRROVYOOSIWFJ-QFIXIFRTSA-N -1 3 376.456 4.135 20 0 GIADHM COc1ccc(-c2ccc(CNC(=O)c3c[n-]c4ccccc4c3=O)s2)cc1 ZINC000177374900 823448643 /nfs/dbraw/zinc/44/86/43/823448643.db2.gz PJSCUGZZVHUVAS-UHFFFAOYSA-N -1 3 390.464 4.195 20 0 GIADHM O=c1nc(CN2CCC[C@H](C(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000026228796 820071952 /nfs/dbraw/zinc/07/19/52/820071952.db2.gz ZHTFXCGCUHYTES-JTQLQIEISA-N -1 3 383.395 4.019 20 0 GIADHM CC(C)c1nnc([N-]C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 ZINC000026602088 820119914 /nfs/dbraw/zinc/11/99/14/820119914.db2.gz MJJLGOKZVUKGLT-UHFFFAOYSA-N -1 3 399.373 4.257 20 0 GIADHM COC(=O)c1sc2[n-]c(CSc3ccc(C(C)C)cc3)nc(=O)c2c1C ZINC000027682378 820274652 /nfs/dbraw/zinc/27/46/52/820274652.db2.gz PDOBKNVCVVUEJV-UHFFFAOYSA-N -1 3 388.514 4.495 20 0 GIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)CC)ccc2C)cc1 ZINC000028403588 820333257 /nfs/dbraw/zinc/33/32/57/820333257.db2.gz BMPOQDJMGPJKPL-CQSZACIVSA-N -1 3 390.505 4.179 20 0 GIADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000028686581 820351281 /nfs/dbraw/zinc/35/12/81/820351281.db2.gz QFNUSFBHSSNSCX-HNNXBMFYSA-N -1 3 386.517 4.128 20 0 GIADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c(Cl)c1 ZINC000028752551 820355362 /nfs/dbraw/zinc/35/53/62/820355362.db2.gz SDXPDLLQLRCXSL-MRVPVSSYSA-N -1 3 375.639 4.467 20 0 GIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000029047260 820386697 /nfs/dbraw/zinc/38/66/97/820386697.db2.gz NSELZYPHFVWJKS-UHFFFAOYSA-N -1 3 390.505 4.117 20 0 GIADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000460685371 823478926 /nfs/dbraw/zinc/47/89/26/823478926.db2.gz BUYLDDLABPQLEE-FQEVSTJZSA-N -1 3 383.455 4.222 20 0 GIADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000460685371 823478930 /nfs/dbraw/zinc/47/89/30/823478930.db2.gz BUYLDDLABPQLEE-FQEVSTJZSA-N -1 3 383.455 4.222 20 0 GIADHM COc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000030016768 820570354 /nfs/dbraw/zinc/57/03/54/820570354.db2.gz VZWJRNRULMFZET-RKDXNWHRSA-N -1 3 385.304 4.040 20 0 GIADHM COCCOc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000059779334 823498548 /nfs/dbraw/zinc/49/85/48/823498548.db2.gz YBKNXFOGETZQSK-UHFFFAOYSA-N -1 3 377.506 4.055 20 0 GIADHM Cc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1[O-] ZINC000123343362 823499191 /nfs/dbraw/zinc/49/91/91/823499191.db2.gz XMEVXMVKCQDFBL-UHFFFAOYSA-N -1 3 380.423 4.077 20 0 GIADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000032084875 820894845 /nfs/dbraw/zinc/89/48/45/820894845.db2.gz GOVBZUVDAFSEDA-UHFFFAOYSA-N -1 3 389.521 4.216 20 0 GIADHM COc1cc[n-]c(=NNC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)n1 ZINC000032432923 820942702 /nfs/dbraw/zinc/94/27/02/820942702.db2.gz NTTUARZGDRVGSQ-UHFFFAOYSA-N -1 3 399.454 4.074 20 0 GIADHM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1F ZINC000032435962 820943621 /nfs/dbraw/zinc/94/36/21/820943621.db2.gz CTCXVAVTCWQFOK-LBPRGKRZSA-N -1 3 375.849 4.134 20 0 GIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000177718258 823516370 /nfs/dbraw/zinc/51/63/70/823516370.db2.gz HHXONAAPQFSVPW-UHFFFAOYSA-N -1 3 393.770 4.242 20 0 GIADHM N#C[C@H](c1ccccc1)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000032585036 820972306 /nfs/dbraw/zinc/97/23/06/820972306.db2.gz PYHVHFMPZJKFDZ-ODAUKNCYSA-N -1 3 379.419 4.065 20 0 GIADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000032586633 820972885 /nfs/dbraw/zinc/97/28/85/820972885.db2.gz CPOBRRUNKNOHBK-UHFFFAOYSA-N -1 3 399.749 4.344 20 0 GIADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000032592363 820974679 /nfs/dbraw/zinc/97/46/79/820974679.db2.gz VGMBTVVHHDEIHU-UHFFFAOYSA-N -1 3 398.532 4.042 20 0 GIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc(C)c1F ZINC000460826275 823523521 /nfs/dbraw/zinc/52/35/21/823523521.db2.gz GFUFIXKEWZUESD-UHFFFAOYSA-N -1 3 379.844 4.082 20 0 GIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1ccccc1F ZINC000033919400 821061211 /nfs/dbraw/zinc/06/12/11/821061211.db2.gz JSMWAYOGZVZDIC-UHFFFAOYSA-N -1 3 398.175 4.408 20 0 GIADHM CCCCOc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)c([O-])c1 ZINC000190040602 823529716 /nfs/dbraw/zinc/52/97/16/823529716.db2.gz FMMGMNMGCICWHD-UHFFFAOYSA-N -1 3 383.488 4.393 20 0 GIADHM Cc1nc(C)c(CC(=O)Nc2ccccc2Oc2ccccc2Cl)c(=O)[n-]1 ZINC000041614935 821214686 /nfs/dbraw/zinc/21/46/86/821214686.db2.gz IEPUAEPZMCJHNC-UHFFFAOYSA-N -1 3 383.835 4.014 20 0 GIADHM Cc1ccc(F)c(-c2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)n[nH]2)c1 ZINC000190105775 823537830 /nfs/dbraw/zinc/53/78/30/823537830.db2.gz VIQABXQMAGNDSG-UHFFFAOYSA-N -1 3 394.381 4.066 20 0 GIADHM CC(C)[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)N1CCCC1 ZINC000042942175 821347911 /nfs/dbraw/zinc/34/79/11/821347911.db2.gz KGOWRPVIYJZTFK-AWEZNQCLSA-N -1 3 380.514 4.160 20 0 GIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000043319104 821391858 /nfs/dbraw/zinc/39/18/58/821391858.db2.gz BJRLUNWNDDXWFO-UHFFFAOYSA-N -1 3 394.649 4.051 20 0 GIADHM CCc1nnc([N-]C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)s1 ZINC000180743129 821429631 /nfs/dbraw/zinc/42/96/31/821429631.db2.gz RJLKEXMYBANIFC-UHFFFAOYSA-N -1 3 382.367 4.335 20 0 GIADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3n[nH]c(Cc4cccc(F)c4)n3)s2)o1 ZINC000180877176 821508189 /nfs/dbraw/zinc/50/81/89/821508189.db2.gz GJSPFKUDILHPRB-UHFFFAOYSA-N -1 3 397.435 4.120 20 0 GIADHM CSc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccn1 ZINC000181417720 821815445 /nfs/dbraw/zinc/81/54/45/821815445.db2.gz IESUVBDAABSANM-LLVKDONJSA-N -1 3 380.256 4.071 20 0 GIADHM CSc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccn1 ZINC000181419733 821817062 /nfs/dbraw/zinc/81/70/62/821817062.db2.gz KIPJQAPYZBIEIH-ZDUSSCGKSA-N -1 3 380.256 4.071 20 0 GIADHM Brc1cccc(-c2c[nH]c(C[N-]c3nnc(-c4ccco4)o3)n2)c1 ZINC000181484893 821846905 /nfs/dbraw/zinc/84/69/05/821846905.db2.gz XSGLLMXJIUWGMO-UHFFFAOYSA-N -1 3 386.209 4.094 20 0 GIADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C)o2)s1 ZINC000181517587 821863533 /nfs/dbraw/zinc/86/35/33/821863533.db2.gz WDQWFOUMGZEQMP-ZDUSSCGKSA-N -1 3 380.425 4.286 20 0 GIADHM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccc(OCC2CC2)c(F)c1 ZINC000181580109 821887541 /nfs/dbraw/zinc/88/75/41/821887541.db2.gz JFLDTJBUFGAMGU-CYBMUJFWSA-N -1 3 383.419 4.277 20 0 GIADHM O=C([N-]c1ccncc1F)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000181823448 822007084 /nfs/dbraw/zinc/00/70/84/822007084.db2.gz LELCLJVIXGSZIP-UHFFFAOYSA-N -1 3 382.178 4.347 20 0 GIADHM c1cc(-c2nc(C[N-]c3nnc([C@H]4COc5ccccc5O4)o3)cs2)cs1 ZINC000182209834 822148720 /nfs/dbraw/zinc/14/87/20/822148720.db2.gz ZOWBELWNZCHHQZ-OAHLLOKOSA-N -1 3 398.469 4.379 20 0 GIADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000182345948 822209440 /nfs/dbraw/zinc/20/94/40/822209440.db2.gz PFWAVFWTSQCYLN-UHFFFAOYSA-N -1 3 378.375 4.171 20 0 GIADHM COc1c(C)ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000178066652 822307420 /nfs/dbraw/zinc/30/74/20/822307420.db2.gz RDVQVOJBUNOAKE-UHFFFAOYSA-N -1 3 379.254 4.102 20 0 GIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(Cc4ccccc4)cs3)c[n-]c12 ZINC000182826749 822373928 /nfs/dbraw/zinc/37/39/28/822373928.db2.gz SDEYQRAOPYRVCF-UHFFFAOYSA-N -1 3 393.443 4.275 20 0 GIADHM Cc1ccc(Cc2cnc(NC(=O)[N-]OCc3cccnc3)s2)cc1Cl ZINC000183106946 822425418 /nfs/dbraw/zinc/42/54/18/822425418.db2.gz BRWQBKTWGNTRLT-UHFFFAOYSA-N -1 3 388.880 4.344 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cc2)n1 ZINC000183204676 822441306 /nfs/dbraw/zinc/44/13/06/822441306.db2.gz XEPDHAWAPODHEW-UHFFFAOYSA-N -1 3 393.409 4.443 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccsc3)cc2)cc1 ZINC000046462709 822475404 /nfs/dbraw/zinc/47/54/04/822475404.db2.gz GCHDYRGDAFJZGW-UHFFFAOYSA-N -1 3 386.498 4.039 20 0 GIADHM O=C(Nc1ccc(OC(=O)c2cc(-c3ccco3)[n-]n2)cc1)c1cccs1 ZINC000046570959 822487134 /nfs/dbraw/zinc/48/71/34/822487134.db2.gz OEYICLLWGHSMOM-UHFFFAOYSA-N -1 3 379.397 4.203 20 0 GIADHM O=C(Nc1ccc(OC(=O)c2cc(-c3ccco3)n[n-]2)cc1)c1cccs1 ZINC000046570959 822487137 /nfs/dbraw/zinc/48/71/37/822487137.db2.gz OEYICLLWGHSMOM-UHFFFAOYSA-N -1 3 379.397 4.203 20 0 GIADHM Cc1cccc(I)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640237 822518161 /nfs/dbraw/zinc/51/81/61/822518161.db2.gz SHYIMDQTJXBQGF-UHFFFAOYSA-N -1 3 387.604 4.211 20 0 GIADHM O=C([N-]c1nc(CN2CCCCC2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000046812253 822520277 /nfs/dbraw/zinc/52/02/77/822520277.db2.gz PPYNEXGAYSOOJS-UHFFFAOYSA-N -1 3 386.452 4.175 20 0 GIADHM CC(C)c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(C(C)C)c1 ZINC000046851137 822524423 /nfs/dbraw/zinc/52/44/23/822524423.db2.gz RFSFXEIBGOGOIB-UHFFFAOYSA-N -1 3 383.492 4.191 20 0 GIADHM COc1ccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c([O-])c1 ZINC000047162026 822549536 /nfs/dbraw/zinc/54/95/36/822549536.db2.gz ZJSIVWRPHLMDSY-UHFFFAOYSA-N -1 3 395.499 4.334 20 0 GIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000179772721 822549786 /nfs/dbraw/zinc/54/97/86/822549786.db2.gz RIWHIFYNTWORPM-FPOVZHCZSA-N -1 3 377.484 4.347 20 0 GIADHM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179934811 822580178 /nfs/dbraw/zinc/58/01/78/822580178.db2.gz WCVJMMHDTUAOJP-ZFWWWQNUSA-N -1 3 398.484 4.192 20 0 GIADHM CC(C)CC(=O)NCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179934878 822580193 /nfs/dbraw/zinc/58/01/93/822580193.db2.gz AZZXKYKCXZIVTK-UHFFFAOYSA-N -1 3 397.500 4.160 20 0 GIADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)c3ccccc32)c(=O)[n-]1 ZINC000184270470 822606563 /nfs/dbraw/zinc/60/65/63/822606563.db2.gz RSXFMBPUPYLQAX-LBPRGKRZSA-N -1 3 383.879 4.003 20 0 GIADHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3cc(F)c(F)cc3F)no2)c1 ZINC000180083040 822611701 /nfs/dbraw/zinc/61/17/01/822611701.db2.gz MVYKJDGHKUSLIB-UHFFFAOYSA-N -1 3 390.317 4.126 20 0 GIADHM CC[C@H](C(=O)N[N-]C(=O)c1cccc(Br)c1Cl)c1ccccc1 ZINC000180136933 822623884 /nfs/dbraw/zinc/62/38/84/822623884.db2.gz QDQXDZLVDPRIDW-LBPRGKRZSA-N -1 3 395.684 4.057 20 0 GIADHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000048445097 822662615 /nfs/dbraw/zinc/66/26/15/822662615.db2.gz QLGNFTNFUXSXEG-VIFPVBQESA-N -1 3 394.743 4.074 20 0 GIADHM Cc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)nnn1-c1cccc2ncccc21 ZINC000180339825 822666237 /nfs/dbraw/zinc/66/62/37/822666237.db2.gz MLJUCHZVAMBRCD-UHFFFAOYSA-N -1 3 399.788 4.308 20 0 GIADHM Cc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)nnn1-c1cccc(Cl)c1 ZINC000180350453 822668112 /nfs/dbraw/zinc/66/81/12/822668112.db2.gz JDMVFFKRLKKLQV-UHFFFAOYSA-N -1 3 383.185 4.413 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOc3ccc(C)cc3)c2)n1 ZINC000049302329 822697491 /nfs/dbraw/zinc/69/74/91/822697491.db2.gz RZUBYDFIQNPRNL-UHFFFAOYSA-N -1 3 391.471 4.105 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Cc3ccc(C)cc3)c2)n1 ZINC000180562470 822703161 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GIADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)sc1Cl ZINC000187835832 823143311 /nfs/dbraw/zinc/14/33/11/823143311.db2.gz NXTRBDPXBVZXKS-ZDUSSCGKSA-N -1 3 384.935 4.234 20 0 GIADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1nccs1 ZINC000188041793 823175954 /nfs/dbraw/zinc/17/59/54/823175954.db2.gz YJFVIQIAJAKZKB-CYBMUJFWSA-N -1 3 383.297 4.193 20 0 GIADHM O=c1cc(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)nc(C2CC2)[n-]1 ZINC000459407051 823186200 /nfs/dbraw/zinc/18/62/00/823186200.db2.gz VCVNIIHPJLTJQX-CQSZACIVSA-N -1 3 389.324 4.054 20 0 GIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCC4(CCCCC4)O3)cc2)cc(=O)[n-]1 ZINC000571468599 823187449 /nfs/dbraw/zinc/18/74/49/823187449.db2.gz JKRVUAPNAYKLDU-GOSISDBHSA-N -1 3 396.491 4.161 20 0 GIADHM O=C(c1ccc(F)cc1)C1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459439902 823192155 /nfs/dbraw/zinc/19/21/55/823192155.db2.gz NAQYGTZMQJAZHH-UHFFFAOYSA-N -1 3 391.446 4.083 20 0 GIADHM [O-]c1cccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1Br ZINC000459442462 823192691 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CCOc1ccc([C@@H](COC)NCc2cccc([O-])c2Br)cc1 ZINC000459533405 823213521 /nfs/dbraw/zinc/21/35/21/823213521.db2.gz XTKWMRIDDGYRST-MRXNPFEDSA-N -1 3 380.282 4.031 20 0 GIADHM [O-]c1cccc(CNCc2c(F)cccc2N2CCCC2)c1Br ZINC000459536814 823214716 /nfs/dbraw/zinc/21/47/16/823214716.db2.gz CCLZOPXUWXTEOX-UHFFFAOYSA-N -1 3 379.273 4.184 20 0 GIADHM CCOc1cc(CNc2cc(Br)ccc2CO)cc(Cl)c1[O-] ZINC000459547748 823217602 /nfs/dbraw/zinc/21/76/02/823217602.db2.gz WWZUBYBZEYLPKZ-UHFFFAOYSA-N -1 3 386.673 4.311 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000176628747 823252506 /nfs/dbraw/zinc/25/25/06/823252506.db2.gz ODDBLMQLMCWNKD-UHFFFAOYSA-N -1 3 398.846 4.283 20 0 GIADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000057122483 823251249 /nfs/dbraw/zinc/25/12/49/823251249.db2.gz SCJHSFSCCKKDNQ-UHFFFAOYSA-N -1 3 376.478 4.204 20 0 GIADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000057122468 823251360 /nfs/dbraw/zinc/25/13/60/823251360.db2.gz 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O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1cccc(F)c1 ZINC000006251868 817670834 /nfs/dbraw/zinc/67/08/34/817670834.db2.gz CHNFSHPKTNKPJT-UHFFFAOYSA-N -1 3 378.429 4.291 20 0 GIADHM COc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015898095 818378510 /nfs/dbraw/zinc/37/85/10/818378510.db2.gz UNZQUQFGFWJDIM-UHFFFAOYSA-N -1 3 394.880 4.054 20 0 GIADHM CCc1ccc(C(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)c([O-])c1 ZINC000188979324 823337382 /nfs/dbraw/zinc/33/73/82/823337382.db2.gz ISTMJBDJVXBSBC-UHFFFAOYSA-N -1 3 395.286 4.362 20 0 GIADHM Cc1cc(/C=C/C(=O)N[N-]C(=O)c2ccccc2F)c(C)n1C1CCCCC1 ZINC000016174518 818401661 /nfs/dbraw/zinc/40/16/61/818401661.db2.gz ARKVLIKGUXWEBN-OUKQBFOZSA-N -1 3 383.467 4.224 20 0 GIADHM COC(=O)c1cc(C)nc2nc(SCc3c(C)cc(C)cc3C)[n-]c(=O)c12 ZINC000057812681 823335639 /nfs/dbraw/zinc/33/56/39/823335639.db2.gz FOPRCIIDHVGJPR-UHFFFAOYSA-N -1 3 383.473 4.043 20 0 GIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000122314508 823336780 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CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(Br)c1 ZINC000024098936 819023286 /nfs/dbraw/zinc/02/32/86/819023286.db2.gz LHINEQGGSVHCDT-QGZVFWFLSA-N -1 3 375.266 4.377 20 0 GIADHM CCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000024301796 819043864 /nfs/dbraw/zinc/04/38/64/819043864.db2.gz ZQIZQFOWKQTHNN-GJZGRUSLSA-N -1 3 398.532 4.295 20 0 GIADHM CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000189414718 823411123 /nfs/dbraw/zinc/41/11/23/823411123.db2.gz LXLROETZUKJWCG-UHFFFAOYSA-N -1 3 389.293 4.028 20 0 GIADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000573008893 823433177 /nfs/dbraw/zinc/43/31/77/823433177.db2.gz GKUZZTVFZFMITP-APPDUMDISA-N -1 3 383.370 4.003 20 0 GIADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000024913615 819893836 /nfs/dbraw/zinc/89/38/36/819893836.db2.gz KRPVZOXODNMXIE-UHFFFAOYSA-N -1 3 388.884 4.072 20 0 GIADHM CC(C)c1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1ccccc1Cl ZINC000573107047 823448816 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20 0 GIADHM CC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000028490602 820339402 /nfs/dbraw/zinc/33/94/02/820339402.db2.gz FLAWTEFFXBLSNG-INIZCTEOSA-N -1 3 390.480 4.031 20 0 GIADHM CC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000028490599 820339622 /nfs/dbraw/zinc/33/96/22/820339622.db2.gz FLAWTEFFXBLSNG-MRXNPFEDSA-N -1 3 390.480 4.031 20 0 GIADHM Cc1ccc([C@@H](NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)C2CC2)cc1 ZINC000028752442 820355335 /nfs/dbraw/zinc/35/53/35/820355335.db2.gz VZVLMJFOCUZRJI-MRXNPFEDSA-N -1 3 381.259 4.054 20 0 GIADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752549 820355420 /nfs/dbraw/zinc/35/54/20/820355420.db2.gz JKRAVYRPNZDYQI-QMMMGPOBSA-N -1 3 375.639 4.467 20 0 GIADHM CCCc1nnc([N-]C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)s1 ZINC000028965886 820377539 /nfs/dbraw/zinc/37/75/39/820377539.db2.gz OSGKZRDWGRBXTP-UHFFFAOYSA-N -1 3 395.410 4.256 20 0 GIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1OCC ZINC000029048037 820387260 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ZINC000187074378 823007060 /nfs/dbraw/zinc/00/70/60/823007060.db2.gz PFAWRVWSGZPXPL-ZCFIWIBFSA-N -1 3 394.715 4.237 20 0 GIADHM O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc2n[n-]nc21 ZINC000570270489 823021457 /nfs/dbraw/zinc/02/14/57/823021457.db2.gz DXZJPNIIWRWATQ-CQSZACIVSA-N -1 3 393.447 4.028 20 0 GIADHM O=C(CC1=CCCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767546 823035009 /nfs/dbraw/zinc/03/50/09/823035009.db2.gz WMYBFLQPVHQLAI-UHFFFAOYSA-N -1 3 376.884 4.113 20 0 GIADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2sc(-c3ccccc3)nc2C)s1 ZINC000460934962 823545792 /nfs/dbraw/zinc/54/57/92/823545792.db2.gz BYGNAUXRMAPVTO-GFCCVEGCSA-N -1 3 393.559 4.177 20 0 GIADHM CCCCOc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000190179630 823547179 /nfs/dbraw/zinc/54/71/79/823547179.db2.gz FLQIULYGZXERTJ-UHFFFAOYSA-N -1 3 393.487 4.467 20 0 GIADHM O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000060636148 823549703 /nfs/dbraw/zinc/54/97/03/823549703.db2.gz PCVHDWVWMGTFST-UHFFFAOYSA-N -1 3 396.830 4.206 20 0 GIADHM CC[C@H](CSC)N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411456362 823576877 /nfs/dbraw/zinc/57/68/77/823576877.db2.gz ZIZJXECMWLJFPC-CQSZACIVSA-N -1 3 391.537 4.364 20 0 GIADHM CCCCOc1ccc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c([O-])c1 ZINC000190564949 823586985 /nfs/dbraw/zinc/58/69/85/823586985.db2.gz DLGGZSCTWOGJCL-UHFFFAOYSA-N -1 3 388.411 4.319 20 0 GIADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)c1C ZINC000461208565 823598843 /nfs/dbraw/zinc/59/88/43/823598843.db2.gz KAKNMLBKKMITIT-UHFFFAOYSA-N -1 3 377.416 4.228 20 0 GIADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2)c1C ZINC000461220579 823600701 /nfs/dbraw/zinc/60/07/01/823600701.db2.gz SZCQLMWJZMMXRD-UHFFFAOYSA-N -1 3 377.469 4.443 20 0 GIADHM CC1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC2(CCCC2)O1 ZINC000190965801 823631620 /nfs/dbraw/zinc/63/16/20/823631620.db2.gz KUOJNQPLHFIENU-UHFFFAOYSA-N -1 3 399.516 4.168 20 0 GIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1[O-] ZINC000412182115 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CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccccc3Cl)c2)n1 ZINC000044197167 821544051 /nfs/dbraw/zinc/54/40/51/821544051.db2.gz YCNRQTZPKNRDNE-UHFFFAOYSA-N -1 3 384.892 4.462 20 0 GIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4cccc(Cl)c4n3)c[n-]c12 ZINC000181339475 821770199 /nfs/dbraw/zinc/77/01/99/821770199.db2.gz DNFJNAXBJIHIII-UHFFFAOYSA-N -1 3 381.794 4.430 20 0 GIADHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181489943 821849431 /nfs/dbraw/zinc/84/94/31/821849431.db2.gz ZZHAIYWHFISPHU-GFCCVEGCSA-N -1 3 393.274 4.215 20 0 GIADHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181489961 821849870 /nfs/dbraw/zinc/84/98/70/821849870.db2.gz ZZHAIYWHFISPHU-LBPRGKRZSA-N -1 3 393.274 4.215 20 0 GIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(F)cc1F ZINC000181767330 821984243 /nfs/dbraw/zinc/98/42/43/821984243.db2.gz UIBHNJMELDKVMJ-HXUWFJFHSA-N -1 3 396.393 4.170 20 0 GIADHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)n[n-]2)o1 ZINC000181886278 822026595 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CC(C)OC(=O)C[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccc1 ZINC000459411946 823187331 /nfs/dbraw/zinc/18/73/31/823187331.db2.gz OTWXIBJHFPRMGT-HXUWFJFHSA-N -1 3 391.471 4.022 20 0 GIADHM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1c[n-]c2ccccc2c1=O ZINC000571470672 823187321 /nfs/dbraw/zinc/18/73/21/823187321.db2.gz YMPFXPDCJFQGBN-FQEVSTJZSA-N -1 3 396.874 4.079 20 0 GIADHM [O-]c1cccc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1Br ZINC000459453167 823195238 /nfs/dbraw/zinc/19/52/38/823195238.db2.gz ACRWVJISBGXVMV-YOEHRIQHSA-N -1 3 384.220 4.053 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(Br)c1 ZINC000571559758 823200398 /nfs/dbraw/zinc/20/03/98/823200398.db2.gz WWCZKISRBSYUCK-UHFFFAOYSA-N -1 3 378.650 4.351 20 0 GIADHM O=C(c1ccc(F)cc1)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459499528 823205190 /nfs/dbraw/zinc/20/51/90/823205190.db2.gz FJCWYIVLYHPEHZ-UHFFFAOYSA-N -1 3 392.268 4.389 20 0 GIADHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1OC(F)F ZINC000176430573 823206121 /nfs/dbraw/zinc/20/61/21/823206121.db2.gz 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823244032 /nfs/dbraw/zinc/24/40/32/823244032.db2.gz AVFGJGHAXUPSKY-UHFFFAOYSA-N -1 3 391.172 4.053 20 0 GIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1sc2ccccc2c1Br ZINC000571843589 823244035 /nfs/dbraw/zinc/24/40/35/823244035.db2.gz AVFGJGHAXUPSKY-UHFFFAOYSA-N -1 3 391.172 4.053 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000121778348 823248468 /nfs/dbraw/zinc/24/84/68/823248468.db2.gz KMOVHHLLOVBACT-UHFFFAOYSA-N -1 3 392.377 4.174 20 0 GIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1C ZINC000057119679 823251016 /nfs/dbraw/zinc/25/10/16/823251016.db2.gz OZRVMSRDHXIEMV-UHFFFAOYSA-N -1 3 386.473 4.385 20 0 GIADHM CCCCSCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176629602 823253067 /nfs/dbraw/zinc/25/30/67/823253067.db2.gz IEANLRDPTCDKLW-UHFFFAOYSA-N -1 3 398.956 4.146 20 0 GIADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(F)cc1 ZINC000003469367 817462173 /nfs/dbraw/zinc/46/21/73/817462173.db2.gz DPCOHVYWZAKOKD-UHFFFAOYSA-N -1 3 378.429 4.291 20 0 GIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@](F)(c4cc(C)cc(F)c4)C3)nc2)n1 ZINC000409667238 823278563 /nfs/dbraw/zinc/27/85/63/823278563.db2.gz UGNANIMDFPXORW-JOCHJYFZSA-N -1 3 396.441 4.329 20 0 GIADHM Cc1c([O-])ccc2c(CSc3nncn3-c3cccc(Cl)c3)cc(=O)oc12 ZINC000005890266 817628402 /nfs/dbraw/zinc/62/84/02/817628402.db2.gz JPKQLGKFUGNYGD-UHFFFAOYSA-N -1 3 399.859 4.333 20 0 GIADHM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1[O-] ZINC000006225939 817668808 /nfs/dbraw/zinc/66/88/08/817668808.db2.gz OWQZQTGLTGZQPO-UHFFFAOYSA-N -1 3 396.255 4.480 20 0 GIADHM C[C@@H](Sc1nncs1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000006465617 817695379 /nfs/dbraw/zinc/69/53/79/817695379.db2.gz GZJBBPXNQQMHOH-SSDOTTSWSA-N -1 3 378.529 4.418 20 0 GIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=S)NC(C)C)c2)c(C)c1 ZINC000007505526 817857406 /nfs/dbraw/zinc/85/74/06/817857406.db2.gz PJDMNDOUWHETGW-UHFFFAOYSA-N -1 3 391.562 4.107 20 0 GIADHM CCOc1ccc(CCC2CCN(C(=O)c3ccc(OC)cc3[O-])CC2)cc1 ZINC000010980110 818038879 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GIADHM CC(C)Cn1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1C(F)F ZINC000122340211 823340550 /nfs/dbraw/zinc/34/05/50/823340550.db2.gz IYGZBDWUGVHZEK-UHFFFAOYSA-N -1 3 377.313 4.453 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000122379691 823346641 /nfs/dbraw/zinc/34/66/41/823346641.db2.gz XUYUQNSWMQWXTK-FQEVSTJZSA-N -1 3 377.444 4.199 20 0 GIADHM COc1ccc(Sc2nsc([N-]C(=O)c3ccc(F)cc3F)n2)cc1 ZINC000177030910 823354348 /nfs/dbraw/zinc/35/43/48/823354348.db2.gz UBJBQSVYCWICTP-UHFFFAOYSA-N -1 3 379.413 4.228 20 0 GIADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1c(Cl)cccc1Cl ZINC000021178669 818662313 /nfs/dbraw/zinc/66/23/13/818662313.db2.gz FAWGNHPZOMQLJL-UHFFFAOYSA-N -1 3 382.215 4.073 20 0 GIADHM C[C@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000572540377 823357602 /nfs/dbraw/zinc/35/76/02/823357602.db2.gz ZWLDAGOLTZWRJY-APPDUMDISA-N -1 3 391.393 4.302 20 0 GIADHM CCc1noc(C)c1[N-]C(=O)c1sc(-c2ccc(OC)cc2F)nc1C ZINC000409969348 823357830 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CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000126002491 823763973 /nfs/dbraw/zinc/76/39/73/823763973.db2.gz CALGDZRHAZSNBA-CQSZACIVSA-N -1 3 397.519 4.037 20 0 GIADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000126008336 823765203 /nfs/dbraw/zinc/76/52/03/823765203.db2.gz DTDFFWCSHZYZQV-UHFFFAOYSA-N -1 3 387.233 4.299 20 0 GIADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])cnn1-c1ccc(F)cc1 ZINC000126028091 823769379 /nfs/dbraw/zinc/76/93/79/823769379.db2.gz GGCVVGDXNGLOAF-UHFFFAOYSA-N -1 3 390.212 4.040 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(C(C)C)c(C)c3)cc2)n1 ZINC000064359297 823800267 /nfs/dbraw/zinc/80/02/67/823800267.db2.gz JPGAISXWCDLIJI-UHFFFAOYSA-N -1 3 391.471 4.195 20 0 GIADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126160787 823802362 /nfs/dbraw/zinc/80/23/62/823802362.db2.gz YGSNFLRXOAEVDZ-JTQLQIEISA-N -1 3 399.235 4.336 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)n1 ZINC000064374154 823802969 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CC[C@@](C)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1nc(C)cs1 ZINC000462294882 823914750 /nfs/dbraw/zinc/91/47/50/823914750.db2.gz GPQVDAXYVFPJFR-QGZVFWFLSA-N -1 3 393.559 4.179 20 0 GIADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccccc2-c2ccccc2)o1 ZINC000462319880 823923103 /nfs/dbraw/zinc/92/31/03/823923103.db2.gz RAANVODVELOOGO-IBGZPJMESA-N -1 3 385.485 4.175 20 0 GIADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1nccs1 ZINC000462350101 823935628 /nfs/dbraw/zinc/93/56/28/823935628.db2.gz QVRFOZDHYNUGLC-AWEZNQCLSA-N -1 3 395.333 4.062 20 0 GIADHM CC(=O)c1cccc(NC(=O)Cc2c[nH]c3cccc(Br)c23)c1[O-] ZINC000575837688 824008806 /nfs/dbraw/zinc/00/88/06/824008806.db2.gz JVVOSOXUQDXMKC-UHFFFAOYSA-N -1 3 387.233 4.020 20 0 GIADHM C[C@H]1c2ccccc2CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000170955164 824016784 /nfs/dbraw/zinc/01/67/84/824016784.db2.gz PXDKHUOPCIVWAK-ZDUSSCGKSA-N -1 3 377.469 4.364 20 0 GIADHM CCCN(CC(=O)[O-])Cc1c(Cl)cccc1OCc1cccc(OC)c1 ZINC000414679496 824023134 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COCCCOc1cc(C)ccc1CNCc1cccc([O-])c1Br ZINC000459432407 823191311 /nfs/dbraw/zinc/19/13/11/823191311.db2.gz KYUQPGPYYCCFFB-UHFFFAOYSA-N -1 3 394.309 4.168 20 0 GIADHM O=c1cc(CN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)nc(C2CC2)[n-]1 ZINC000459436330 823191987 /nfs/dbraw/zinc/19/19/87/823191987.db2.gz XIALUIFSRBPWPY-CQSZACIVSA-N -1 3 375.753 4.245 20 0 GIADHM CCOCCOc1cc(C)ccc1CNCc1cccc([O-])c1Br ZINC000459437525 823192217 /nfs/dbraw/zinc/19/22/17/823192217.db2.gz RVXDLJXLOXOHJH-UHFFFAOYSA-N -1 3 394.309 4.168 20 0 GIADHM CCOc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc(Cl)c1[O-] ZINC000459457932 823196178 /nfs/dbraw/zinc/19/61/78/823196178.db2.gz IUBXINGZUPBKFW-OKILXGFUSA-N -1 3 391.899 4.065 20 0 GIADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1c[n-]c2ccccc2c1=O ZINC000188163339 823196675 /nfs/dbraw/zinc/19/66/75/823196675.db2.gz POWOZCAACJBJOD-UHFFFAOYSA-N -1 3 386.373 4.009 20 0 GIADHM [O-]c1cccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1Br ZINC000459550273 823218167 /nfs/dbraw/zinc/21/81/67/823218167.db2.gz 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394.397 4.352 20 0 GIADHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccn1 ZINC000179879940 822570569 /nfs/dbraw/zinc/57/05/69/822570569.db2.gz VSBNACAELMVXGK-FZMZJTMJSA-N -1 3 389.814 4.013 20 0 GIADHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3ccc(F)c(F)c3F)no2)c1 ZINC000179891551 822572514 /nfs/dbraw/zinc/57/25/14/822572514.db2.gz GIUKHCKEBUQZKM-UHFFFAOYSA-N -1 3 390.317 4.126 20 0 GIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000184180526 822591811 /nfs/dbraw/zinc/59/18/11/822591811.db2.gz NDRJARQEUOTAIZ-OAQYLSRUSA-N -1 3 380.488 4.045 20 0 GIADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1c(C)cccc1OC(F)F)CC2 ZINC000184487562 822644284 /nfs/dbraw/zinc/64/42/84/822644284.db2.gz FWRRRDXWPXHFFO-UHFFFAOYSA-N -1 3 395.427 4.334 20 0 GIADHM CSCc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000184783369 822690274 /nfs/dbraw/zinc/69/02/74/822690274.db2.gz PSVVVLXAZQJSSS-UHFFFAOYSA-N -1 3 381.295 4.339 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSCc3cccc(C)c3)c2)n1 ZINC000049301713 822697339 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GIADHM CC(C)(C)c1cnc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000053020695 822818902 /nfs/dbraw/zinc/81/89/02/822818902.db2.gz TZZVFMYLIOZETF-UHFFFAOYSA-N -1 3 391.899 4.182 20 0 GIADHM COc1cc(Br)c(CN[C@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000185985035 822841196 /nfs/dbraw/zinc/84/11/96/822841196.db2.gz OASBBNSFOXTWTM-SNVBAGLBSA-N -1 3 384.245 4.162 20 0 GIADHM CCc1ccc(-c2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000053791569 822848102 /nfs/dbraw/zinc/84/81/02/822848102.db2.gz YWPXKWVFXKZBLX-UHFFFAOYSA-N -1 3 375.453 4.466 20 0 GIADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1cccc(Br)c1 ZINC000174876917 822849613 /nfs/dbraw/zinc/84/96/13/822849613.db2.gz FIRLRRAGGFKJNV-UHFFFAOYSA-N -1 3 390.212 4.040 20 0 GIADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cnc2ccccc2n1 ZINC000186082679 822850157 /nfs/dbraw/zinc/85/01/57/822850157.db2.gz AOXLALMWJSRXDQ-UHFFFAOYSA-N -1 3 385.811 4.193 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccoc3C(F)(F)F)c2)n1 ZINC000569047659 822873425 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Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1ccc(F)c(Cl)c1 ZINC000175313574 822932330 /nfs/dbraw/zinc/93/23/30/822932330.db2.gz HHKLVRYUFJUPNT-UHFFFAOYSA-N -1 3 384.720 4.038 20 0 GIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457915600 822934633 /nfs/dbraw/zinc/93/46/33/822934633.db2.gz FDCQXZCEMNZHIB-GOSISDBHSA-N -1 3 393.405 4.367 20 0 GIADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000458153179 822963145 /nfs/dbraw/zinc/96/31/45/822963145.db2.gz YNTUKLIYVNWCID-DYVFJYSZSA-N -1 3 397.700 4.108 20 0 GIADHM Cc1nc(S(=O)(=O)Cc2ncc(-c3ccccc3)o2)[n-]c1-c1ccccc1 ZINC000186855625 822968572 /nfs/dbraw/zinc/96/85/72/822968572.db2.gz ZJBSIDHCPODFGN-UHFFFAOYSA-N -1 3 379.441 4.014 20 0 GIADHM Cc1[n-]c(S(=O)(=O)Cc2ncc(-c3ccccc3)o2)nc1-c1ccccc1 ZINC000186855625 822968574 /nfs/dbraw/zinc/96/85/74/822968574.db2.gz ZJBSIDHCPODFGN-UHFFFAOYSA-N -1 3 379.441 4.014 20 0 GIADHM COC(=O)c1scc(C)c1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000186877514 822973198 /nfs/dbraw/zinc/97/31/98/822973198.db2.gz RDYHBCWWOHXSJF-UHFFFAOYSA-N -1 3 390.205 4.136 20 0 GIADHM O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000569890318 822981174 /nfs/dbraw/zinc/98/11/74/822981174.db2.gz AKFZANYKPHOUGD-KRWDZBQOSA-N -1 3 376.250 4.187 20 0 GIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c(C)c1 ZINC000055592054 822983571 /nfs/dbraw/zinc/98/35/71/822983571.db2.gz CCXWQAOXWRXOJV-UHFFFAOYSA-N -1 3 390.505 4.016 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c(C)c1 ZINC000055619897 822988648 /nfs/dbraw/zinc/98/86/48/822988648.db2.gz VQZKDENFOHQAHO-UHFFFAOYSA-N -1 3 380.469 4.357 20 0 GIADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)s1 ZINC000175631967 823010032 /nfs/dbraw/zinc/01/00/32/823010032.db2.gz IPKWQJMLLUFZGB-QMMMGPOBSA-N -1 3 384.832 4.163 20 0 GIADHM O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc2n[n-]nc21 ZINC000570270488 823021515 /nfs/dbraw/zinc/02/15/15/823021515.db2.gz DXZJPNIIWRWATQ-AWEZNQCLSA-N -1 3 393.447 4.028 20 0 GIADHM CCS[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(C)C ZINC000175766582 823034817 /nfs/dbraw/zinc/03/48/17/823034817.db2.gz LKTZTDGIYOBJFI-QGZVFWFLSA-N -1 3 398.956 4.000 20 0 GIADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000060787153 823557342 /nfs/dbraw/zinc/55/73/42/823557342.db2.gz LKRUVKKJAPBZDI-HXUWFJFHSA-N -1 3 381.472 4.210 20 0 GIADHM O=c1nc(CN2CCC[C@H]2c2cccnc2)[n-]c2scc(-c3ccco3)c21 ZINC000411421352 823572396 /nfs/dbraw/zinc/57/23/96/823572396.db2.gz RWNNCGBYPMVQBE-HNNXBMFYSA-N -1 3 378.457 4.389 20 0 GIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(-c3cnn(C)c3)ccc2F)c(F)c1F ZINC000461099187 823577019 /nfs/dbraw/zinc/57/70/19/823577019.db2.gz LZTLZXXXPRJRNW-UHFFFAOYSA-N -1 3 391.324 4.098 20 0 GIADHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000190649259 823595041 /nfs/dbraw/zinc/59/50/41/823595041.db2.gz WBQJXZFJOLVNJG-GFCCVEGCSA-N -1 3 384.716 4.459 20 0 GIADHM O=C(Nc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1)c1ccncc1 ZINC000190842530 823615261 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Cc1cc(C(=O)NC(C)C)ccc1NCc1cccc([O-])c1Br ZINC000459517253 823209473 /nfs/dbraw/zinc/20/94/73/823209473.db2.gz SDISYKFMTZUITR-UHFFFAOYSA-N -1 3 377.282 4.213 20 0 GIADHM CCOc1ccc([C@H](COC)NCc2cccc([O-])c2Br)cc1 ZINC000459533404 823213707 /nfs/dbraw/zinc/21/37/07/823213707.db2.gz XTKWMRIDDGYRST-INIZCTEOSA-N -1 3 380.282 4.031 20 0 GIADHM CC(C)(C)c1cc(CCC(=O)[N-]OC[C@H]2CCOC2)cc(C(C)(C)C)c1O ZINC000188329608 823220222 /nfs/dbraw/zinc/22/02/22/823220222.db2.gz VHMPTSYNBISNAV-INIZCTEOSA-N -1 3 377.525 4.004 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1C ZINC000121627849 823218872 /nfs/dbraw/zinc/21/88/72/823218872.db2.gz UXGBRZCCLTZGOA-UHFFFAOYSA-N -1 3 396.468 4.057 20 0 GIADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc(C(F)F)cc1 ZINC000571911753 823252845 /nfs/dbraw/zinc/25/28/45/823252845.db2.gz DOEKXXCHCOVTLN-UHFFFAOYSA-N -1 3 381.322 4.366 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C)c(Br)c3)cc2)n1 ZINC000176654927 823258535 /nfs/dbraw/zinc/25/85/35/823258535.db2.gz 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Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(-c3cccnc3)nc(=O)c12 ZINC000020369631 207189289 /nfs/dbraw/zinc/18/92/89/207189289.db2.gz UPGQULRKAPBKPM-UHFFFAOYSA-N -1 3 390.468 4.224 20 0 GIADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1nc2ccccc2c(=O)[nH]1 ZINC000824756884 608207239 /nfs/dbraw/zinc/20/72/39/608207239.db2.gz RKWAUWUUOIINDU-VIFPVBQESA-N -1 3 384.852 4.022 20 0 GIADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1nc2ccccc2c(=O)[nH]1 ZINC000824756884 608207240 /nfs/dbraw/zinc/20/72/40/608207240.db2.gz RKWAUWUUOIINDU-VIFPVBQESA-N -1 3 384.852 4.022 20 0 GIADHM CC(C)=CCSc1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120774781 823061427 /nfs/dbraw/zinc/06/14/27/823061427.db2.gz LEXVAUWUUVCTBG-UHFFFAOYSA-N -1 3 379.489 4.101 20 0 GIADHM CC(C)=CCSc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120774781 823061430 /nfs/dbraw/zinc/06/14/30/823061430.db2.gz LEXVAUWUUVCTBG-UHFFFAOYSA-N -1 3 379.489 4.101 20 0 GIADHM C[C@@H](S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1nncn1C ZINC000570719614 823075741 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CCOc1cc(CNc2ccc(C)c(N3C(=O)CCC3=O)c2)cc(Cl)c1[O-] ZINC000459359785 823171285 /nfs/dbraw/zinc/17/12/85/823171285.db2.gz UKEBXMIWMVOBSG-UHFFFAOYSA-N -1 3 388.851 4.018 20 0 GIADHM Cc1cc(C)n2ncc(C(=O)[N-]c3cc(F)ccc3SCC(F)F)c2n1 ZINC000121406360 823178830 /nfs/dbraw/zinc/17/88/30/823178830.db2.gz PWBBYIIAGNFTGZ-UHFFFAOYSA-N -1 3 380.395 4.095 20 0 GIADHM CCCOc1ccc([C@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1OC ZINC000459387486 823180325 /nfs/dbraw/zinc/18/03/25/823180325.db2.gz DDWUAFKGJWJAQJ-INIZCTEOSA-N -1 3 393.487 4.497 20 0 GIADHM COc1cc([C@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)ccc1OC(C)C ZINC000459388830 823180575 /nfs/dbraw/zinc/18/05/75/823180575.db2.gz GOKMGHXFAWNRCU-INIZCTEOSA-N -1 3 393.487 4.496 20 0 GIADHM CC(C)[C@H]1C[C@@](NCc2cnn(Cc3ccccc3)c2)(C(=O)[O-])c2ccccc21 ZINC000571424623 823180653 /nfs/dbraw/zinc/18/06/53/823180653.db2.gz PZZVXODNIXNXSQ-QPPBQGQZSA-N -1 3 389.499 4.144 20 0 GIADHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000176437124 823207513 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CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000121737473 823240095 /nfs/dbraw/zinc/24/00/95/823240095.db2.gz KUHMJUBXHARKMW-UHFFFAOYSA-N -1 3 388.467 4.236 20 0 GIADHM COC(=O)c1cc(CSc2nnc([N-]c3ccccc3F)s2)oc1C ZINC000002642808 817395327 /nfs/dbraw/zinc/39/53/27/817395327.db2.gz QGYOJPOGNVCSIH-UHFFFAOYSA-N -1 3 379.438 4.401 20 0 GIADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005061019 817548516 /nfs/dbraw/zinc/54/85/16/817548516.db2.gz KOQCAVNLZLBVEJ-MRXNPFEDSA-N -1 3 391.423 4.155 20 0 GIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(-n4cccc4)cc3)nc(=O)c2c1C ZINC000005165458 817555985 /nfs/dbraw/zinc/55/59/85/817555985.db2.gz LRNSPUSXUZKGRB-CYBMUJFWSA-N -1 3 393.468 4.310 20 0 GIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)C2CCC2)cc1 ZINC000460010008 823278184 /nfs/dbraw/zinc/27/81/84/823278184.db2.gz MDXSUIAUHWJKNX-MRXNPFEDSA-N -1 3 386.517 4.479 20 0 GIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccccc1Br ZINC000176725446 823278244 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GIADHM O=c1nc(CSCc2cn3ccccc3n2)[n-]c2scc(-c3ccco3)c21 ZINC000176894915 823319396 /nfs/dbraw/zinc/31/93/96/823319396.db2.gz LWYQAJQCJTWDFW-UHFFFAOYSA-N -1 3 394.481 4.326 20 0 GIADHM CCc1cc2c(CN(Cc3ccco3)Cc3ccco3)cc(=O)oc2cc1[O-] ZINC000015448540 818326474 /nfs/dbraw/zinc/32/64/74/818326474.db2.gz YMZAJMVNSJHTDS-UHFFFAOYSA-N -1 3 379.412 4.449 20 0 GIADHM COc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OCc1ccccc1 ZINC000015661968 818357133 /nfs/dbraw/zinc/35/71/33/818357133.db2.gz FHMSMVOTKHVVKH-MOSHPQCFSA-N -1 3 385.419 4.085 20 0 GIADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)[n-]1 ZINC000057771754 823330640 /nfs/dbraw/zinc/33/06/40/823330640.db2.gz DJLOJVSIRBJQTO-UHFFFAOYSA-N -1 3 397.862 4.404 20 0 GIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)C)ccc2C)cc1 ZINC000015898544 818378379 /nfs/dbraw/zinc/37/83/79/818378379.db2.gz DCQCDSNIMOGELT-UHFFFAOYSA-N -1 3 390.505 4.179 20 0 GIADHM CCc1cccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[O-] ZINC000122295393 823333998 /nfs/dbraw/zinc/33/39/98/823333998.db2.gz RVMYOUHEQHSNHH-LBPRGKRZSA-N -1 3 384.423 4.450 20 0 GIADHM O=C([N-]NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F ZINC000016184968 818402903 /nfs/dbraw/zinc/40/29/03/818402903.db2.gz MDUUQEJBHAGUQQ-UHFFFAOYSA-N -1 3 381.432 4.249 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@H]4C)o3)cc2)n1 ZINC000409880348 823334727 /nfs/dbraw/zinc/33/47/27/823334727.db2.gz VIHBMKZAEKHRRT-PBZHRCKQSA-N -1 3 389.455 4.204 20 0 GIADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1cccc(Cl)c1Cl ZINC000021178648 818662172 /nfs/dbraw/zinc/66/21/72/818662172.db2.gz ITQDTWXWFIQTLH-UHFFFAOYSA-N -1 3 382.215 4.073 20 0 GIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000177045510 823358495 /nfs/dbraw/zinc/35/84/95/823358495.db2.gz OCRIFJYIOAHOJF-UHFFFAOYSA-N -1 3 376.869 4.401 20 0 GIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1NC(C)=O ZINC000024437145 819057005 /nfs/dbraw/zinc/05/70/05/819057005.db2.gz ZEKPMAPCUMNEEQ-UHFFFAOYSA-N -1 3 390.505 4.060 20 0 GIADHM CC(C)[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1Cl ZINC000058679931 823429128 /nfs/dbraw/zinc/42/91/28/823429128.db2.gz PPEIXMAXMIZQRY-QGZVFWFLSA-N -1 3 387.823 4.143 20 0 GIADHM CC(C)[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1Cl ZINC000058679931 823429130 /nfs/dbraw/zinc/42/91/30/823429130.db2.gz PPEIXMAXMIZQRY-QGZVFWFLSA-N -1 3 387.823 4.143 20 0 GIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000024885015 819889132 /nfs/dbraw/zinc/88/91/32/819889132.db2.gz NJWNXEBCHHVNEC-UHFFFAOYSA-N -1 3 394.452 4.139 20 0 GIADHM Cc1cccc2sc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c(Cl)c21 ZINC000024895239 819889955 /nfs/dbraw/zinc/88/99/55/819889955.db2.gz RTRSLYFHQPSKOL-UHFFFAOYSA-N -1 3 394.905 4.487 20 0 GIADHM Cn1c2ccccc2nc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000026035435 820051565 /nfs/dbraw/zinc/05/15/65/820051565.db2.gz XYCXTSGYNBIFST-UHFFFAOYSA-N -1 3 394.481 4.424 20 0 GIADHM CCCc1nnc([N-]C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 ZINC000026109156 820058759 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COc1cn(-c2ccccc2)nc1C(=O)[N-]c1ccccc1SC(F)F ZINC000027382292 820236003 /nfs/dbraw/zinc/23/60/03/820236003.db2.gz HGYXIIKQGKOUTO-UHFFFAOYSA-N -1 3 375.400 4.448 20 0 GIADHM CC1CCN([C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)c2cccs2)CC1 ZINC000027573181 820261426 /nfs/dbraw/zinc/26/14/26/820261426.db2.gz QLPQIGCWIGDESI-INIZCTEOSA-N -1 3 378.925 4.310 20 0 GIADHM C[C@@H](Sc1nnc(C2CC2)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028088930 820310858 /nfs/dbraw/zinc/31/08/58/820310858.db2.gz YDMDXVHXRGZPQO-SECBINFHSA-N -1 3 399.501 4.104 20 0 GIADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cccc(Cl)c1Cl ZINC000028782231 820357535 /nfs/dbraw/zinc/35/75/35/820357535.db2.gz ODYRNBKJLKLRPY-UHFFFAOYSA-N -1 3 380.636 4.176 20 0 GIADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000029403714 820451720 /nfs/dbraw/zinc/45/17/20/820451720.db2.gz DEPJQYVMZOFZNZ-UHFFFAOYSA-N -1 3 395.406 4.309 20 0 GIADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000410416654 823491004 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Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)c2)n1 ZINC000032592415 820974353 /nfs/dbraw/zinc/97/43/53/820974353.db2.gz MGJJBOVYOBGVSJ-UHFFFAOYSA-N -1 3 397.500 4.288 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC3CCCC3)c2)cc1C ZINC000032595593 820975218 /nfs/dbraw/zinc/97/52/18/820975218.db2.gz KDUQNMIWMWJPDK-UHFFFAOYSA-N -1 3 391.489 4.134 20 0 GIADHM O=C(Nc1ccc(Br)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC000032605865 820976936 /nfs/dbraw/zinc/97/69/36/820976936.db2.gz HWVCLDZRIMYXTH-UHFFFAOYSA-N -1 3 377.625 4.196 20 0 GIADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cccc(Cl)c1Cl ZINC000032632551 820981733 /nfs/dbraw/zinc/98/17/33/820981733.db2.gz MVCAPZFWDQINBM-UHFFFAOYSA-N -1 3 394.663 4.219 20 0 GIADHM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)CCO2 ZINC000041231853 821178928 /nfs/dbraw/zinc/17/89/28/821178928.db2.gz ZPHQGFPKFANOFE-UHFFFAOYSA-N -1 3 381.453 4.001 20 0 GIADHM CCCCC[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042993573 821352911 /nfs/dbraw/zinc/35/29/11/821352911.db2.gz 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COc1ccc(N[C@@H](C)c2cccc(-c3ccncc3)c2)cc1[N-]S(C)(=O)=O ZINC000182731459 822359188 /nfs/dbraw/zinc/35/91/88/822359188.db2.gz IELNHRBDLMNZMV-HNNXBMFYSA-N -1 3 397.500 4.302 20 0 GIADHM COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000178328749 822367602 /nfs/dbraw/zinc/36/76/02/822367602.db2.gz PFSSNOMTLCGSIT-UHFFFAOYSA-N -1 3 380.375 4.045 20 0 GIADHM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000045369242 822381835 /nfs/dbraw/zinc/38/18/35/822381835.db2.gz FBLVSXBXYYOIFM-UHFFFAOYSA-N -1 3 390.480 4.031 20 0 GIADHM CCc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178550349 822390996 /nfs/dbraw/zinc/39/09/96/822390996.db2.gz DZLTWNVAWXWNER-UHFFFAOYSA-N -1 3 386.879 4.099 20 0 GIADHM COc1ccc2[nH]c(=N[N-]C(=O)c3nc(Cl)ccc3Cl)c(C)cc2c1 ZINC000183181469 822436776 /nfs/dbraw/zinc/43/67/76/822436776.db2.gz CKYDALZDKLJCDD-UHFFFAOYSA-N -1 3 377.231 4.011 20 0 GIADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000183314518 822457823 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C[C@@H]1CC(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C[C@@H](C)C1 ZINC000183979913 822557411 /nfs/dbraw/zinc/55/74/11/822557411.db2.gz ILGGRDFQNVWBKJ-KBPBESRZSA-N -1 3 392.927 4.295 20 0 GIADHM O=S(=O)(Cc1csc(Cc2ccc(Cl)cc2)n1)c1cccc([O-])c1 ZINC000183981006 822557554 /nfs/dbraw/zinc/55/75/54/822557554.db2.gz YWEJTGRACOFJKI-UHFFFAOYSA-N -1 3 379.890 4.067 20 0 GIADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1c(Cl)cccc1Cl ZINC000047280476 822561921 /nfs/dbraw/zinc/56/19/21/822561921.db2.gz BOQGHOPBQWKFDC-UHFFFAOYSA-N -1 3 383.256 4.127 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3scnc3C3CCCC3)c2)n1 ZINC000184058849 822572477 /nfs/dbraw/zinc/57/24/77/822572477.db2.gz JJQUGXOBLHCEER-UHFFFAOYSA-N -1 3 394.500 4.366 20 0 GIADHM C[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N1CCSCC1 ZINC000179932465 822579459 /nfs/dbraw/zinc/57/94/59/822579459.db2.gz JIDGSAKXSUAFQD-ZDUSSCGKSA-N -1 3 399.541 4.045 20 0 GIADHM C[C@@H](Oc1cccnc1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179932241 822579475 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CCc1cc(=O)[n-]c(CN[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)n1 ZINC000184786705 822690717 /nfs/dbraw/zinc/69/07/17/822690717.db2.gz ANQBBRXWZSIZSD-LBPRGKRZSA-N -1 3 384.505 4.036 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4ccccc4s3)c2)n1 ZINC000049302248 822697519 /nfs/dbraw/zinc/69/75/19/822697519.db2.gz UCTFOIJPZFVYLL-UHFFFAOYSA-N -1 3 375.453 4.466 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000049301874 822697534 /nfs/dbraw/zinc/69/75/34/822697534.db2.gz UBYHXEGCJRZFBC-UHFFFAOYSA-N -1 3 387.361 4.270 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCSc3ccccc3F)c2)n1 ZINC000049302593 822697550 /nfs/dbraw/zinc/69/75/50/822697550.db2.gz RHBBSQWUUBQTBW-UHFFFAOYSA-N -1 3 397.475 4.259 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cccc(Cl)c3)c2)n1 ZINC000049304318 822697811 /nfs/dbraw/zinc/69/78/11/822697811.db2.gz ASMPDCBFWHKJIA-UHFFFAOYSA-N -1 3 381.863 4.224 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc4ccccc43)c2)n1 ZINC000049304510 822697847 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GIADHM COc1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc(OC)c1[O-] ZINC000457051917 822848324 /nfs/dbraw/zinc/84/83/24/822848324.db2.gz AOHHHPSYPZQAOE-CJNGLKHVSA-N -1 3 375.852 4.129 20 0 GIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000174890174 822851300 /nfs/dbraw/zinc/85/13/00/822851300.db2.gz YGLWPEMBPMXGRB-UHFFFAOYSA-N -1 3 381.457 4.153 20 0 GIADHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(F)c(Cl)c3F)s2)cc1 ZINC000186206637 822860844 /nfs/dbraw/zinc/86/08/44/822860844.db2.gz LIFWDZOXZOOHTR-UHFFFAOYSA-N -1 3 381.791 4.398 20 0 GIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000457335758 822867876 /nfs/dbraw/zinc/86/78/76/822867876.db2.gz XEQQKHHLXXIUPA-MRXNPFEDSA-N -1 3 375.266 4.089 20 0 GIADHM CCc1cc2c(CNC3(c4nc(C)cs4)CCCC3)cc(=O)oc2cc1[O-] ZINC000175019818 822868595 /nfs/dbraw/zinc/86/85/95/822868595.db2.gz PUIZXOJJGWCJQA-UHFFFAOYSA-N -1 3 384.501 4.385 20 0 GIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186438504 822895840 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GIADHM CCc1ccccc1CCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000569818328 822972299 /nfs/dbraw/zinc/97/22/99/822972299.db2.gz PNARWFIESYPNGF-LJQANCHMSA-N -1 3 388.305 4.066 20 0 GIADHM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000175451825 822972314 /nfs/dbraw/zinc/97/23/14/822972314.db2.gz ALPUBMLMGGTBAM-NDEPHWFRSA-N -1 3 395.480 4.194 20 0 GIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c(C(F)(F)F)c1 ZINC000055579563 822981792 /nfs/dbraw/zinc/98/17/92/822981792.db2.gz PUZCUDFCPRWICG-KTKRTIGZSA-N -1 3 398.406 4.385 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)cc1 ZINC000055663233 822995927 /nfs/dbraw/zinc/99/59/27/822995927.db2.gz IMULJPDINBPCOF-UHFFFAOYSA-N -1 3 396.468 4.057 20 0 GIADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000055674154 822996883 /nfs/dbraw/zinc/99/68/83/822996883.db2.gz LAHVPWLGXMBVFS-UHFFFAOYSA-N -1 3 390.505 4.158 20 0 GIADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000187030696 823000840 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C[C@H]1CCc2c(C(=O)N[N-]C(=O)c3ccc(Cl)cc3Cl)csc2C1 ZINC000024459187 819059585 /nfs/dbraw/zinc/05/95/85/819059585.db2.gz MEAFROMQAHTIBU-VIFPVBQESA-N -1 3 383.300 4.255 20 0 GIADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000460445970 823391941 /nfs/dbraw/zinc/39/19/41/823391941.db2.gz UTSMROWNSOHKJR-GOSISDBHSA-N -1 3 389.517 4.343 20 0 GIADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](C)c1ccccc1 ZINC000177172549 823390549 /nfs/dbraw/zinc/39/05/49/823390549.db2.gz NCFRIQXDBYITQS-CHWSQXEVSA-N -1 3 399.288 4.213 20 0 GIADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189510399 823433810 /nfs/dbraw/zinc/43/38/10/823433810.db2.gz XDQJCTXFQKPBGO-UHFFFAOYSA-N -1 3 381.248 4.056 20 0 GIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000024892746 819889992 /nfs/dbraw/zinc/88/99/92/819889992.db2.gz MRHWKSXRYVGDBB-UHFFFAOYSA-N -1 3 398.509 4.138 20 0 GIADHM CCOc1cccc2cc([C@H](C)NCc3cc(=O)oc4cc([O-])ccc34)oc21 ZINC000177334492 823437777 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20 0 GIADHM CC1CCC(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)CC1 ZINC000028847032 820363381 /nfs/dbraw/zinc/36/33/81/820363381.db2.gz ATNFIWRTQCAOFW-UHFFFAOYSA-N -1 3 380.514 4.208 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC000123210331 823479234 /nfs/dbraw/zinc/47/92/34/823479234.db2.gz JGXDLVYRCRQFBG-UHFFFAOYSA-N -1 3 384.451 4.117 20 0 GIADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCc2ccccc21 ZINC000029487414 820462726 /nfs/dbraw/zinc/46/27/26/820462726.db2.gz FEJXCMNGBGQPJS-MRXNPFEDSA-N -1 3 377.469 4.364 20 0 GIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3cccc(F)c3)nc(=O)c2c1C ZINC000177595810 823498292 /nfs/dbraw/zinc/49/82/92/823498292.db2.gz GBBVUOXUJXLJCV-SNVBAGLBSA-N -1 3 392.477 4.462 20 0 GIADHM Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000031141329 820751203 /nfs/dbraw/zinc/75/12/03/820751203.db2.gz FIUOMPAHGIHAGY-LBPRGKRZSA-N -1 3 395.484 4.238 20 0 GIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000031721519 820850977 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CCCCOc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000190045948 823530292 /nfs/dbraw/zinc/53/02/92/823530292.db2.gz HVFOCUBBCGDVMS-UHFFFAOYSA-N -1 3 381.472 4.306 20 0 GIADHM CC(C)c1ccc([C@@H](NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000043865109 821476664 /nfs/dbraw/zinc/47/66/64/821476664.db2.gz HCSQXWBVRDMUJR-IBGZPJMESA-N -1 3 398.463 4.060 20 0 GIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(F)cc1F ZINC000181767348 821984390 /nfs/dbraw/zinc/98/43/90/821984390.db2.gz UIBHNJMELDKVMJ-FQEVSTJZSA-N -1 3 396.393 4.170 20 0 GIADHM Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(F)c1 ZINC000181813130 822003218 /nfs/dbraw/zinc/00/32/18/822003218.db2.gz XNSPUZOOKRFVEW-NRFANRHFSA-N -1 3 392.430 4.340 20 0 GIADHM CCOCc1nnc([N-]Cc2ccc(-c3cccc(Br)c3)o2)o1 ZINC000181845260 822015569 /nfs/dbraw/zinc/01/55/69/822015569.db2.gz OGUNERVXGUCCBP-UHFFFAOYSA-N -1 3 378.226 4.241 20 0 GIADHM Cc1ccc(-c2nc(NC(=O)c3cc(C4CC4)nc4ccc(F)cc43)n[n-]2)o1 ZINC000181873523 822022917 /nfs/dbraw/zinc/02/29/17/822022917.db2.gz SKFNWIVHVVVEEZ-UHFFFAOYSA-N -1 3 377.379 4.190 20 0 GIADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1c[n-]c2ccccc2c1=O ZINC000182040742 822070893 /nfs/dbraw/zinc/07/08/93/822070893.db2.gz KUKTUUHGJBEQFM-UHFFFAOYSA-N -1 3 380.407 4.119 20 0 GIADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c([O-])c1O ZINC000182161705 822124736 /nfs/dbraw/zinc/12/47/36/822124736.db2.gz VLIVWKBFARXDLJ-UHFFFAOYSA-N -1 3 386.791 4.157 20 0 GIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c2ccccc12 ZINC000182269203 822179798 /nfs/dbraw/zinc/17/97/98/822179798.db2.gz XGZQWYKIDVHJBC-UHFFFAOYSA-N -1 3 392.839 4.392 20 0 GIADHM COc1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N-]S(C)(=O)=O ZINC000182733361 822359250 /nfs/dbraw/zinc/35/92/50/822359250.db2.gz LRVKNAFBKXAFAG-NSHDSACASA-N -1 3 388.411 4.259 20 0 GIADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000182870514 822383119 /nfs/dbraw/zinc/38/31/19/822383119.db2.gz GKOWVNWHICCPMN-JTSKRJEESA-N -1 3 388.467 4.131 20 0 GIADHM Cc1cc(Br)c([O-])c(NC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000182905462 822389937 /nfs/dbraw/zinc/38/99/37/822389937.db2.gz RCOHVQWVPCWVJE-UHFFFAOYSA-N -1 3 388.265 4.219 20 0 GIADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000179155574 822445100 /nfs/dbraw/zinc/44/51/00/822445100.db2.gz ZAOVDQGJWDNMBM-UHFFFAOYSA-N -1 3 383.276 4.127 20 0 GIADHM COCc1ccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)cc1 ZINC000046155560 822445411 /nfs/dbraw/zinc/44/54/11/822445411.db2.gz VFABMNSIKVQNCX-UHFFFAOYSA-N -1 3 389.670 4.015 20 0 GIADHM CCCCOC(=O)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000046438769 822473353 /nfs/dbraw/zinc/47/33/53/822473353.db2.gz HNJOGFIJDIOXNI-UHFFFAOYSA-N -1 3 376.865 4.191 20 0 GIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(C)nc3-c3ccccc3)nc21 ZINC000179776980 822550851 /nfs/dbraw/zinc/55/08/51/822550851.db2.gz ZCBSYPZCNPVVDA-UHFFFAOYSA-N -1 3 392.440 4.034 20 0 GIADHM Cc1nc(C(=O)NCc2ccc([O-])c(Br)c2)c(-c2ccccc2)o1 ZINC000183978825 822557176 /nfs/dbraw/zinc/55/71/76/822557176.db2.gz VZDBUEAVKCPVDJ-UHFFFAOYSA-N -1 3 387.233 4.048 20 0 GIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000184012278 822563768 /nfs/dbraw/zinc/56/37/68/822563768.db2.gz TYAVGTDJTWAJMP-BWAGFHJFSA-N -1 3 392.499 4.045 20 0 GIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H](O)c1ccccc1 ZINC000179935969 822580631 /nfs/dbraw/zinc/58/06/31/822580631.db2.gz UXVOOTIPOWHXAC-LJQANCHMSA-N -1 3 376.437 4.341 20 0 GIADHM CCc1cc2c(CN[C@@H](COCC(C)C)c3ccco3)cc(=O)oc2cc1[O-] ZINC000184185965 822592575 /nfs/dbraw/zinc/59/25/75/822592575.db2.gz YAXZVXIKMZLBIA-SFHVURJKSA-N -1 3 385.460 4.158 20 0 GIADHM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184232529 822600226 /nfs/dbraw/zinc/60/02/26/822600226.db2.gz ZMEHYOLFEYXTOC-BQYQJAHWSA-N -1 3 385.272 4.364 20 0 GIADHM CCn1c2ccccc2c(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1-c1ccccc1 ZINC000455639795 822688957 /nfs/dbraw/zinc/68/89/57/822688957.db2.gz PNVPRABDNOMMEG-DEOSSOPVSA-N -1 3 390.483 4.308 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(Cl)cc3)c2)n1 ZINC000049302349 822697499 /nfs/dbraw/zinc/69/74/99/822697499.db2.gz DPOGOAREAMXXJU-UHFFFAOYSA-N -1 3 381.863 4.224 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)c2)n1 ZINC000049301991 822697522 /nfs/dbraw/zinc/69/75/22/822697522.db2.gz HWLALEXGPKFMIA-OAHLLOKOSA-N -1 3 393.512 4.427 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C4CC5CC(C4)CC3C5)c2)n1 ZINC000049304467 822697821 /nfs/dbraw/zinc/69/78/21/822697821.db2.gz VAUYBKBTMGJQLJ-UHFFFAOYSA-N -1 3 377.488 4.010 20 0 GIADHM C[C@@H](Cc1noc(-c2cc3ccccc3cc2[O-])n1)N(C)C(=O)OC(C)(C)C ZINC000184879836 822706226 /nfs/dbraw/zinc/70/62/26/822706226.db2.gz JGBWPHBVFYTQNJ-ZDUSSCGKSA-N -1 3 383.448 4.393 20 0 GIADHM O=S(=O)([N-]Cc1cccc2ccccc21)c1ccc(Br)s1 ZINC000050197954 822721502 /nfs/dbraw/zinc/72/15/02/822721502.db2.gz FMYMURGBBFUGSC-UHFFFAOYSA-N -1 3 382.304 4.142 20 0 GIADHM COc1ccccc1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000050530397 822732641 /nfs/dbraw/zinc/73/26/41/822732641.db2.gz JOOVEXPSPQZWCN-UHFFFAOYSA-N -1 3 381.400 4.026 20 0 GIADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1c[nH]c2cccc(F)c21 ZINC000185199861 822748660 /nfs/dbraw/zinc/74/86/60/822748660.db2.gz IAAITWCAQHZOJW-UHFFFAOYSA-N -1 3 387.205 4.009 20 0 GIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456084463 822775820 /nfs/dbraw/zinc/77/58/20/822775820.db2.gz BREPFOGBDDCORI-NRSPTQNISA-N -1 3 381.472 4.340 20 0 GIADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000052773093 822809997 /nfs/dbraw/zinc/80/99/97/822809997.db2.gz RZLMWUUYTZOIFW-NRFANRHFSA-N -1 3 376.456 4.294 20 0 GIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(c1ccccc1)c1ccccc1 ZINC000053478716 822836959 /nfs/dbraw/zinc/83/69/59/822836959.db2.gz PBOUNKJIPAJIRC-KRWDZBQOSA-N -1 3 382.463 4.479 20 0 GIADHM COCc1nc(C)c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)s1 ZINC000186091464 822850631 /nfs/dbraw/zinc/85/06/31/822850631.db2.gz NIIAVONFSYCXFO-UHFFFAOYSA-N -1 3 398.872 4.161 20 0 GIADHM CC(C)(C)C1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000457313402 822864519 /nfs/dbraw/zinc/86/45/19/822864519.db2.gz AFPDYPXSYDJPII-UHFFFAOYSA-N -1 3 397.700 4.062 20 0 GIADHM CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)c1[O-] ZINC000569031260 822871267 /nfs/dbraw/zinc/87/12/67/822871267.db2.gz ZLEMSTMCZAEJKJ-UHFFFAOYSA-N -1 3 379.416 4.384 20 0 GIADHM Cc1nc2c(s1)[C@H](N(C)CCOc1ccc(C(=O)[O-])cc1Cl)CCC2 ZINC000569130532 822882348 /nfs/dbraw/zinc/88/23/48/822882348.db2.gz WDMQSQRIJYSOSV-OAHLLOKOSA-N -1 3 380.897 4.191 20 0 GIADHM Cc1nc(-c2ccc(NC(=O)NC3(C(F)F)CCCCC3)cc2)cc(=O)[n-]1 ZINC000569250040 822896599 /nfs/dbraw/zinc/89/65/99/822896599.db2.gz XLWAOPOANLKRJW-UHFFFAOYSA-N -1 3 376.407 4.247 20 0 GIADHM COc1ccc(-c2ocnc2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000569291208 822902677 /nfs/dbraw/zinc/90/26/77/822902677.db2.gz WTTMLBKCJZLMLI-UHFFFAOYSA-N -1 3 378.306 4.327 20 0 GIADHM CCN(CCc1ccccc1C(=O)[O-])Cc1cc(Br)ccc1F ZINC000569464373 822926036 /nfs/dbraw/zinc/92/60/36/822926036.db2.gz YUIMQXFPBVAHAY-UHFFFAOYSA-N -1 3 380.257 4.351 20 0 GIADHM O=C(Nc1cccc([O-])c1F)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000569539688 822936977 /nfs/dbraw/zinc/93/69/77/822936977.db2.gz LUWNBYRGGPPAKY-SFHVURJKSA-N -1 3 380.822 4.490 20 0 GIADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000186723558 822944967 /nfs/dbraw/zinc/94/49/67/822944967.db2.gz HIRGFJGTUZDWGD-MRVPVSSYSA-N -1 3 398.859 4.206 20 0 GIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)NC4CCCCC4)nc(=O)c23)s1 ZINC000055490949 822970105 /nfs/dbraw/zinc/97/01/05/822970105.db2.gz YHPLEVLDWLWBJF-UHFFFAOYSA-N -1 3 387.530 4.013 20 0 GIADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000570223915 823016544 /nfs/dbraw/zinc/01/65/44/823016544.db2.gz IXCXHXOMPKBCLV-UHFFFAOYSA-N -1 3 383.395 4.275 20 0 GIADHM CC(C)C[C@@H](C)CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767023 823035017 /nfs/dbraw/zinc/03/50/17/823035017.db2.gz SIMYLAUOTBZKND-CQSZACIVSA-N -1 3 380.916 4.295 20 0 GIADHM CCc1ccc([C@@H](NC(=O)COC(=O)c2ccc([O-])cc2)c2cccs2)cc1 ZINC000060787259 823557499 /nfs/dbraw/zinc/55/74/99/823557499.db2.gz SMFNLWSWJOSUAI-OAQYLSRUSA-N -1 3 395.480 4.079 20 0 GIADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000060950057 823568853 /nfs/dbraw/zinc/56/88/53/823568853.db2.gz IMQOLHYWLBQNNJ-UHFFFAOYSA-N -1 3 398.315 4.020 20 0 GIADHM Cc1c(-c2ccccc2)sc2[n-]c(COCC(F)(F)C(F)F)nc(=O)c12 ZINC000190411296 823570248 /nfs/dbraw/zinc/57/02/48/823570248.db2.gz DVGQHMMMSQQDEO-UHFFFAOYSA-N -1 3 386.370 4.377 20 0 GIADHM CC[C@@H](CSC)N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411456359 823576860 /nfs/dbraw/zinc/57/68/60/823576860.db2.gz ZIZJXECMWLJFPC-AWEZNQCLSA-N -1 3 391.537 4.364 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cncc(-c4ccccc4)c3)cc2)n1 ZINC000124359603 823590143 /nfs/dbraw/zinc/59/01/43/823590143.db2.gz VKLSBDHKIKMRFG-UHFFFAOYSA-N -1 3 382.423 4.060 20 0 GIADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190653180 823595305 /nfs/dbraw/zinc/59/53/05/823595305.db2.gz ZZWUKMYEXKXCHA-MRXNPFEDSA-N -1 3 395.415 4.078 20 0 GIADHM CCOc1cc(CNCc2c([O-])ccc(Cl)c2F)ccc1OC(F)F ZINC000190790601 823609372 /nfs/dbraw/zinc/60/93/72/823609372.db2.gz QDHJBUVKEJZWMI-UHFFFAOYSA-N -1 3 375.774 4.475 20 0 GIADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1[O-] ZINC000411949492 823615878 /nfs/dbraw/zinc/61/58/78/823615878.db2.gz MHWYUICBHLWECW-SFHVURJKSA-N -1 3 394.254 4.115 20 0 GIADHM Cc1ccc(-c2nc([N-]C(=O)c3cnc(-c4ccccc4F)s3)n[nH]2)cc1 ZINC000063092039 823651297 /nfs/dbraw/zinc/65/12/97/823651297.db2.gz ZXBQHSCHDLTRGP-UHFFFAOYSA-N -1 3 379.420 4.295 20 0 GIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000063150582 823653221 /nfs/dbraw/zinc/65/32/21/823653221.db2.gz HFVXKVIMFOVZGV-UHFFFAOYSA-N -1 3 394.468 4.154 20 0 GIADHM CCOc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1OC(F)F ZINC000191311044 823670204 /nfs/dbraw/zinc/67/02/04/823670204.db2.gz VOFASTYYELYWRY-UHFFFAOYSA-N -1 3 375.774 4.475 20 0 GIADHM Cc1noc(C)c1[N-]C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000063447170 823671891 /nfs/dbraw/zinc/67/18/91/823671891.db2.gz IZRMPPYLBUQRAX-UHFFFAOYSA-N -1 3 391.221 4.478 20 0 GIADHM O=c1[n-]c(CN2CCC(Cc3cccc(F)c3)CC2)nc2c3ccccc3oc21 ZINC000125490839 823680461 /nfs/dbraw/zinc/68/04/61/823680461.db2.gz HOKZVWHFDGVLAK-UHFFFAOYSA-N -1 3 391.446 4.263 20 0 GIADHM CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000412898642 823690297 /nfs/dbraw/zinc/69/02/97/823690297.db2.gz MBGMBLPWJRHSBA-KRWDZBQOSA-N -1 3 393.499 4.215 20 0 GIADHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1OCc1cscn1 ZINC000063803265 823698293 /nfs/dbraw/zinc/69/82/93/823698293.db2.gz TZIQTQCXRRTZLR-UHFFFAOYSA-N -1 3 390.848 4.342 20 0 GIADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911389 823710107 /nfs/dbraw/zinc/71/01/07/823710107.db2.gz DTAUPOXFUIZYST-UHFFFAOYSA-N -1 3 385.285 4.247 20 0 GIADHM CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000126002699 823764118 /nfs/dbraw/zinc/76/41/18/823764118.db2.gz CALGDZRHAZSNBA-AWEZNQCLSA-N -1 3 397.519 4.037 20 0 GIADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000126038029 823771808 /nfs/dbraw/zinc/77/18/08/823771808.db2.gz GDAHVKNZDLKLLO-QMTHXVAHSA-N -1 3 389.249 4.002 20 0 GIADHM O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1cc(F)cc2n[n-]nc21 ZINC000574644546 823789239 /nfs/dbraw/zinc/78/92/39/823789239.db2.gz UCSUPCXVTNCQCD-UHFFFAOYSA-N -1 3 385.761 4.204 20 0 GIADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191838884 823792404 /nfs/dbraw/zinc/79/24/04/823792404.db2.gz WKSZOLDGNNXJGI-UHFFFAOYSA-N -1 3 387.852 4.153 20 0 GIADHM COc1cc(F)c(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cc1OC ZINC000191848639 823795300 /nfs/dbraw/zinc/79/53/00/823795300.db2.gz BEIOEYZMOLHIJF-UHFFFAOYSA-N -1 3 399.403 4.360 20 0 GIADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)oc1-c1ccc(Cl)cc1 ZINC000126148781 823799926 /nfs/dbraw/zinc/79/99/26/823799926.db2.gz PIUJJGHEAVLPMI-UHFFFAOYSA-N -1 3 398.818 4.060 20 0 GIADHM Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000126223983 823815579 /nfs/dbraw/zinc/81/55/79/823815579.db2.gz LETFSEQCEABRAZ-JTQLQIEISA-N -1 3 398.326 4.131 20 0 GIADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000126223750 823815677 /nfs/dbraw/zinc/81/56/77/823815677.db2.gz LETFSEQCEABRAZ-SNVBAGLBSA-N -1 3 398.326 4.131 20 0 GIADHM CC(C)(C)c1nc(C[S@@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)cs1 ZINC000574741248 823815792 /nfs/dbraw/zinc/81/57/92/823815792.db2.gz LWTLOKFAYCWEKB-SANMLTNESA-N -1 3 387.530 4.052 20 0 GIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000064478173 823827349 /nfs/dbraw/zinc/82/73/49/823827349.db2.gz ZNFJONWOGNYHCW-KBPBESRZSA-N -1 3 394.924 4.063 20 0 GIADHM O=S(=O)([N-][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)s1 ZINC000462113233 823831670 /nfs/dbraw/zinc/83/16/70/823831670.db2.gz SCEMBVQVTABYCM-YUMQZZPRSA-N -1 3 381.363 4.166 20 0 GIADHM COCc1cc(NCc2ccc([O-])c(Br)c2)nc(C(C)(C)C)n1 ZINC000126357770 823847740 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CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)CCCC(=O)[O-] ZINC000414635972 824019501 /nfs/dbraw/zinc/01/95/01/824019501.db2.gz JKAANTSHJXZXPG-UHFFFAOYSA-N -1 3 394.313 4.055 20 0 GIADHM CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)c1c(C(=O)[O-])cnc2ccccc21 ZINC000575925869 824030643 /nfs/dbraw/zinc/03/06/43/824030643.db2.gz BVVNCTCXNSXRKF-GJZGRUSLSA-N -1 3 399.491 4.043 20 0 GIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000007410093 209132638 /nfs/dbraw/zinc/13/26/38/209132638.db2.gz FJSSGMWSDHDIFO-UHFFFAOYSA-N -1 3 377.796 4.141 20 0 GIADHM CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828890300 601023462 /nfs/dbraw/zinc/02/34/62/601023462.db2.gz AYWRHQKSJNRXJX-GOSISDBHSA-N -1 3 393.487 4.185 20 0 GIADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000832928717 601025092 /nfs/dbraw/zinc/02/50/92/601025092.db2.gz GTOVWCDVMVLUBD-PXNSSMCTSA-N -1 3 391.471 4.110 20 0 GIADHM Cc1sc2[nH]c([C@@H](C)Sc3cccc(-c4nnn[n-]4)c3)nc(=O)c2c1C ZINC000822563932 606326194 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GIADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccc(C(F)F)cc1 ZINC000570754727 823081733 /nfs/dbraw/zinc/08/17/33/823081733.db2.gz JMLJTNQVBLJXFW-UHFFFAOYSA-N -1 3 398.175 4.466 20 0 GIADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056147849 823088323 /nfs/dbraw/zinc/08/83/23/823088323.db2.gz WNOJEIWCJAKKGH-CYBMUJFWSA-N -1 3 399.288 4.042 20 0 GIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(OC(F)F)cc1 ZINC000177897094 823543359 /nfs/dbraw/zinc/54/33/59/823543359.db2.gz FKYIPJOVWIXWEF-UHFFFAOYSA-N -1 3 387.180 4.078 20 0 GIADHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000187746598 823124312 /nfs/dbraw/zinc/12/43/12/823124312.db2.gz NBHXRPKIGHRRMG-GUOLPTJISA-N -1 3 396.310 4.029 20 0 GIADHM Cc1ccc(-n2nc(-c3ccco3)cc2NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000121162428 823129995 /nfs/dbraw/zinc/12/99/95/823129995.db2.gz QWGUYGPEVILEIJ-LJQANCHMSA-N -1 3 382.420 4.020 20 0 GIADHM COCCn1cc(C(=O)Nc2cc(Br)ccc2[O-])c2ccccc21 ZINC000176189689 823148812 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[O-]c1cccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1Br ZINC000459442464 823192681 /nfs/dbraw/zinc/19/26/81/823192681.db2.gz OWSOEMIAKJZZCD-YOEHRIQHSA-N -1 3 376.294 4.412 20 0 GIADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459484284 823202047 /nfs/dbraw/zinc/20/20/47/823202047.db2.gz ZZGYPKNSZPKBGX-OAHLLOKOSA-N -1 3 388.471 4.163 20 0 GIADHM CCOc1cc(CN[C@H](C(=O)OC)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000459497202 823204420 /nfs/dbraw/zinc/20/44/20/823204420.db2.gz INIWASOZKRIQFJ-INIZCTEOSA-N -1 3 384.259 4.102 20 0 GIADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000056762059 823208474 /nfs/dbraw/zinc/20/84/74/823208474.db2.gz WLDXHQFSVRUPJR-QMMMGPOBSA-N -1 3 389.670 4.005 20 0 GIADHM CCOc1cc(CNc2cccc(N3C(=O)CCCC3=O)c2)cc(Cl)c1[O-] ZINC000459531551 823213022 /nfs/dbraw/zinc/21/30/22/823213022.db2.gz QIVAVDBKLKCHNS-UHFFFAOYSA-N -1 3 388.851 4.100 20 0 GIADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000188385187 823230936 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20 0 GIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c(F)cccc3Cl)nc(=O)c2c1C ZINC000004830247 817536227 /nfs/dbraw/zinc/53/62/27/817536227.db2.gz NRAYJYVOXUIZDR-QMMMGPOBSA-N -1 3 380.828 4.312 20 0 GIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C)nc4ccccc43)nc(=O)c2c1C ZINC000005253573 817565675 /nfs/dbraw/zinc/56/56/75/817565675.db2.gz OHMGVCMBWZJNCN-LBPRGKRZSA-N -1 3 393.468 4.376 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C(C)c3cccc(OC)c3)c2)n1 ZINC000176752902 823284387 /nfs/dbraw/zinc/28/43/87/823284387.db2.gz BMQLXOGHCACZAP-RVDMUPIBSA-N -1 3 389.455 4.050 20 0 GIADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000007488925 817853275 /nfs/dbraw/zinc/85/32/75/817853275.db2.gz MIKOTXMCIUSWBN-UITAMQMPSA-N -1 3 396.802 4.095 20 0 GIADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000007674070 817892539 /nfs/dbraw/zinc/89/25/39/817892539.db2.gz MENUVEXSBLYLJL-UHFFFAOYSA-N -1 3 386.451 4.206 20 0 GIADHM COc1cc([O-])ccc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000011290411 818069008 /nfs/dbraw/zinc/06/90/08/818069008.db2.gz HWTZLZSHPMDPHX-XYOKQWHBSA-N -1 3 376.384 4.261 20 0 GIADHM Cc1cc(C)c(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c(Cl)c1 ZINC000011809418 818121269 /nfs/dbraw/zinc/12/12/69/818121269.db2.gz LCAQVRYDDOXOHQ-UHFFFAOYSA-N -1 3 375.639 4.387 20 0 GIADHM C[C@H]1CCc2sc(C(=O)N[N-]C(=O)c3ccc(Cl)cc3Cl)cc2C1 ZINC000015557274 818338221 /nfs/dbraw/zinc/33/82/21/818338221.db2.gz WCTFMCJIVNBVHX-VIFPVBQESA-N -1 3 383.300 4.255 20 0 GIADHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc(Cl)c1[O-] ZINC000057771003 823330071 /nfs/dbraw/zinc/33/00/71/823330071.db2.gz HRAOEDVVRFMRKH-HXUWFJFHSA-N -1 3 395.846 4.216 20 0 GIADHM CC(C)(CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000188971056 823336094 /nfs/dbraw/zinc/33/60/94/823336094.db2.gz OFHWHXJQAYQWQJ-UHFFFAOYSA-N -1 3 394.924 4.309 20 0 GIADHM COc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)sc1Br ZINC000122342664 823341284 /nfs/dbraw/zinc/34/12/84/823341284.db2.gz QCGFYOSLQUELSH-UHFFFAOYSA-N -1 3 396.184 4.496 20 0 GIADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000021178596 818662301 /nfs/dbraw/zinc/66/23/01/818662301.db2.gz VOVJGJONIUPKIA-UHFFFAOYSA-N -1 3 382.215 4.073 20 0 GIADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000021868808 818749685 /nfs/dbraw/zinc/74/96/85/818749685.db2.gz DDAFXXZDXYRUQZ-UHFFFAOYSA-N -1 3 386.517 4.425 20 0 GIADHM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1ccc(Br)s1 ZINC000022276573 818787974 /nfs/dbraw/zinc/78/79/74/818787974.db2.gz MNBSTDNZDLMQCA-JTQLQIEISA-N -1 3 390.349 4.026 20 0 GIADHM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000022276973 818788654 /nfs/dbraw/zinc/78/86/54/818788654.db2.gz NCNRFGMRYREUDZ-UHFFFAOYSA-N -1 3 380.680 4.004 20 0 GIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000024881626 819888463 /nfs/dbraw/zinc/88/84/63/819888463.db2.gz XHONZWRGEXYYFA-UHFFFAOYSA-N -1 3 382.441 4.103 20 0 GIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000410322083 823462415 /nfs/dbraw/zinc/46/24/15/823462415.db2.gz SSQDNEMBKAGUDU-UHFFFAOYSA-N -1 3 393.892 4.447 20 0 GIADHM O=C([O-])[C@@H]1CN(CCOc2c(Cl)cccc2Cl)C[C@H]1c1ccccc1 ZINC000573369653 823485419 /nfs/dbraw/zinc/48/54/19/823485419.db2.gz LSVGWORTZVWYFF-LSDHHAIUSA-N -1 3 380.271 4.172 20 0 GIADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000177614433 823501727 /nfs/dbraw/zinc/50/17/27/823501727.db2.gz GACVLRYSPCYDNO-FQEVSTJZSA-N -1 3 382.463 4.284 20 0 GIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1Cl ZINC000031669598 820842678 /nfs/dbraw/zinc/84/26/78/820842678.db2.gz GIJHICCKIKTXBG-UHFFFAOYSA-N -1 3 393.848 4.034 20 0 GIADHM [O-]c1ccc(Br)cc1/C=N/CCNc1ccc(C(F)(F)F)cn1 ZINC000031854380 820867911 /nfs/dbraw/zinc/86/79/11/820867911.db2.gz MSYUPMAXJBNKGE-DNTJNYDQSA-N -1 3 388.187 4.100 20 0 GIADHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccc(F)cc2)c(F)cc1F ZINC000031908483 820873395 /nfs/dbraw/zinc/87/33/95/820873395.db2.gz JZIZSWLIHITRNB-UHFFFAOYSA-N -1 3 390.317 4.106 20 0 GIADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2N1 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822483705 /nfs/dbraw/zinc/48/37/05/822483705.db2.gz QLMKOJDEWUWKPT-SFHVURJKSA-N -1 3 377.341 4.219 20 0 GIADHM COc1cc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc(Br)c1[O-] ZINC000179498159 822491553 /nfs/dbraw/zinc/49/15/53/822491553.db2.gz NBNAQLMKMWBMIV-VMPITWQZSA-N -1 3 393.262 4.022 20 0 GIADHM O=c1cc(C(F)(F)F)nc(CN[C@H](c2ccccc2)c2cccc(F)c2)[n-]1 ZINC000179767621 822548296 /nfs/dbraw/zinc/54/82/96/822548296.db2.gz SJSWKBRQTUAHQR-GOSISDBHSA-N -1 3 377.341 4.219 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc4[nH]ccc4c3)c2)n1 ZINC000179837779 822563472 /nfs/dbraw/zinc/56/34/72/822563472.db2.gz JFSOABJHAFKBNF-UHFFFAOYSA-N -1 3 386.455 4.052 20 0 GIADHM Cc1c(F)cccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184104508 822578765 /nfs/dbraw/zinc/57/87/65/822578765.db2.gz ACTRULLBRICQBA-NRFANRHFSA-N -1 3 392.430 4.340 20 0 GIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3c(C)cccc3F)cs2)c1 ZINC000184111427 822579733 /nfs/dbraw/zinc/57/97/33/822579733.db2.gz IGSTYIISBAJSTM-UHFFFAOYSA-N -1 3 399.447 4.038 20 0 GIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ncncc1Cl ZINC000179935696 822580333 /nfs/dbraw/zinc/58/03/33/822580333.db2.gz BEJKHWOZFLTCJM-UHFFFAOYSA-N -1 3 382.832 4.365 20 0 GIADHM O=C1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CN1Cc1ccccc1C(F)(F)F ZINC000184743824 822684960 /nfs/dbraw/zinc/68/49/60/822684960.db2.gz BACUWTNBMFPQJW-ZKWOTWPISA-N -1 3 396.796 4.284 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2)n1 ZINC000049302268 822697486 /nfs/dbraw/zinc/69/74/86/822697486.db2.gz JPLTXWOTVADLSV-UHFFFAOYSA-N -1 3 379.485 4.192 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)c2)n1 ZINC000049303205 822697827 /nfs/dbraw/zinc/69/78/27/822697827.db2.gz QTZNMALERPJCQR-AUUYWEPGSA-N -1 3 391.471 4.287 20 0 GIADHM CCCN(CCc1cccs1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000185083203 822734591 /nfs/dbraw/zinc/73/45/91/822734591.db2.gz QKVLVKWEIPGVLJ-UHFFFAOYSA-N -1 3 397.338 4.381 20 0 GIADHM O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000052634108 822805647 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COC(=O)c1cc([N-]C(=O)c2nc(-c3cccs3)oc2C)c(F)cc1F ZINC000049638095 822703699 /nfs/dbraw/zinc/70/36/99/822703699.db2.gz QBDZQRFPJBYECW-UHFFFAOYSA-N -1 3 378.356 4.029 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1Cl ZINC000050534453 822733075 /nfs/dbraw/zinc/73/30/75/822733075.db2.gz NTHWBNWLAFSCIR-UHFFFAOYSA-N -1 3 390.848 4.337 20 0 GIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1scnc1C1CCCC1 ZINC000185086542 822734963 /nfs/dbraw/zinc/73/49/63/822734963.db2.gz TXYLJSRHPGBUFK-UHFFFAOYSA-N -1 3 387.896 4.346 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)Cc3cccc(F)c3)cc2)n1 ZINC000174283625 822762795 /nfs/dbraw/zinc/76/27/95/822762795.db2.gz HFUJEPRIURBSMY-AWEZNQCLSA-N -1 3 379.435 4.092 20 0 GIADHM O=c1[n-]c(CN(Cc2ccc(F)cc2F)C2CC2)nc2c3ccccc3oc21 ZINC000053133866 822823084 /nfs/dbraw/zinc/82/30/84/822823084.db2.gz NVWCWPLSOQAPTK-UHFFFAOYSA-N -1 3 381.382 4.112 20 0 GIADHM Cc1c([O-])ccc2c(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)oc12 ZINC000053369439 822832032 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GIADHM Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1NC(=O)OC(C)(C)C ZINC000186588614 822918451 /nfs/dbraw/zinc/91/84/51/822918451.db2.gz YOBZLFCZPYJAGR-UHFFFAOYSA-N -1 3 376.478 4.284 20 0 GIADHM CCSCc1cc(C(=O)[N-]c2cc(F)c(Br)cc2F)no1 ZINC000186630621 822926101 /nfs/dbraw/zinc/92/61/01/822926101.db2.gz ACJUTTVFAZCZAB-UHFFFAOYSA-N -1 3 377.210 4.221 20 0 GIADHM O=c1[n-]c(CN2CCCc3cc(OC(F)F)ccc32)nc2c3ccccc3oc21 ZINC000055026290 822931913 /nfs/dbraw/zinc/93/19/13/822931913.db2.gz BVJZLBUGLQZNKP-UHFFFAOYSA-N -1 3 397.381 4.224 20 0 GIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c1 ZINC000569792484 822970036 /nfs/dbraw/zinc/97/00/36/822970036.db2.gz KNRYTXSMPGJJOC-QZTJIDSGSA-N -1 3 399.491 4.228 20 0 GIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)Nc4ccc(F)cc4)nc(=O)c23)s1 ZINC000055491037 822970152 /nfs/dbraw/zinc/97/01/52/822970152.db2.gz GORMJRBMKSQIRR-UHFFFAOYSA-N -1 3 399.472 4.342 20 0 GIADHM COc1ccccc1C(=O)Cc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000055491155 822970190 /nfs/dbraw/zinc/97/01/90/822970190.db2.gz GRLKYNNIZWQYED-UHFFFAOYSA-N -1 3 396.493 4.456 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)c3ccc(OC)cc3)c2)n1 ZINC000175577881 823001221 /nfs/dbraw/zinc/00/12/21/823001221.db2.gz WQHCTHLLBRUYHI-OAHLLOKOSA-N -1 3 391.471 4.140 20 0 GIADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000570336110 823026663 /nfs/dbraw/zinc/02/66/63/823026663.db2.gz SUIZIXHXUJQRLC-MRXNPFEDSA-N -1 3 394.393 4.118 20 0 GIADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1cc(Br)ccc1Cl ZINC000570467838 823041781 /nfs/dbraw/zinc/04/17/81/823041781.db2.gz IXNBECDOAOGONX-UHFFFAOYSA-N -1 3 399.697 4.062 20 0 GIADHM CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncccc1[O-] ZINC000570484739 823044588 /nfs/dbraw/zinc/04/45/88/823044588.db2.gz NLDZTVMUMKQMGY-CYBMUJFWSA-N -1 3 381.398 4.045 20 0 GIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)n(-c3ccc(C)cc3)n2)c(F)c1F ZINC000461100994 823577393 /nfs/dbraw/zinc/57/73/93/823577393.db2.gz XVQZBFQEIBDOBA-UHFFFAOYSA-N -1 3 387.361 4.361 20 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COc1ccc2ccccc2c1-c1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)on1 ZINC000574405570 823721130 /nfs/dbraw/zinc/72/11/30/823721130.db2.gz ATKUKFIQQIRSCD-GOSISDBHSA-N -1 3 392.455 4.190 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC(C)(C)Oc4ccccc43)cc2)n1 ZINC000413227490 823733179 /nfs/dbraw/zinc/73/31/79/823733179.db2.gz INUOTXQZPJFRTI-SFHVURJKSA-N -1 3 389.455 4.029 20 0 GIADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064342173 823796482 /nfs/dbraw/zinc/79/64/82/823796482.db2.gz IDRGRTZPFPWHEY-HNNXBMFYSA-N -1 3 391.471 4.276 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4c(s3)CC[C@@H](C)C4)cc2)n1 ZINC000064343324 823797182 /nfs/dbraw/zinc/79/71/82/823797182.db2.gz ALKMOEQLEJLELG-GFCCVEGCSA-N -1 3 379.485 4.184 20 0 GIADHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1ccco1)C1CCCC1 ZINC000126157566 823802028 /nfs/dbraw/zinc/80/20/28/823802028.db2.gz CXRYYHPHLSRDDC-UHFFFAOYSA-N -1 3 393.281 4.402 20 0 GIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000064474944 823826046 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Cc1cc(F)ccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183005622 822409908 /nfs/dbraw/zinc/40/99/08/822409908.db2.gz WHSVVFKEBFJQSL-OAQYLSRUSA-N -1 3 392.430 4.340 20 0 GIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2[nH]ccc2c1 ZINC000183070284 822420176 /nfs/dbraw/zinc/42/01/76/822420176.db2.gz GCACTWOYXJLFSK-JOCHJYFZSA-N -1 3 399.450 4.373 20 0 GIADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000183425490 822473081 /nfs/dbraw/zinc/47/30/81/822473081.db2.gz FLQNTOICWYATTA-UHFFFAOYSA-N -1 3 396.834 4.302 20 0 GIADHM CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179457879 822485853 /nfs/dbraw/zinc/48/58/53/822485853.db2.gz PFNFVLUFWCITKW-UHFFFAOYSA-N -1 3 375.837 4.378 20 0 GIADHM CSc1nsc([N-]C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)n1 ZINC000183496005 822485845 /nfs/dbraw/zinc/48/58/45/822485845.db2.gz PLMKYQAEGJPIDS-UHFFFAOYSA-N -1 3 384.458 4.222 20 0 GIADHM CN(C)c1ccncc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000184013433 822564006 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GIADHM Cc1ccccc1CNc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000180179304 822633346 /nfs/dbraw/zinc/63/33/46/822633346.db2.gz NWJURNFPKUUDIE-UHFFFAOYSA-N -1 3 384.439 4.096 20 0 GIADHM COc1ccc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c([O-])c1 ZINC000180264133 822650759 /nfs/dbraw/zinc/65/07/59/822650759.db2.gz FETLRKKSMYUCEB-UHFFFAOYSA-N -1 3 386.498 4.093 20 0 GIADHM Cc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)nnn1-c1ccccc1Cl ZINC000180345386 822667116 /nfs/dbraw/zinc/66/71/16/822667116.db2.gz BXYNVNJRMQQKJV-UHFFFAOYSA-N -1 3 383.185 4.413 20 0 GIADHM Cc1ccc(C(=O)CCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000184636653 822669381 /nfs/dbraw/zinc/66/93/81/822669381.db2.gz BHGKJNLYRQYWPO-UHFFFAOYSA-N -1 3 389.455 4.045 20 0 GIADHM COc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1OC(C)C ZINC000184668260 822673181 /nfs/dbraw/zinc/67/31/81/822673181.db2.gz UTQZZDIASBIARV-UHFFFAOYSA-N -1 3 384.407 4.024 20 0 GIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000048652787 822676811 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GIADHM Cc1cc(C)n(-c2ccc(-c3noc(-c4cc5ccccc5cc4[O-])n3)cn2)n1 ZINC000184855838 822701288 /nfs/dbraw/zinc/70/12/88/822701288.db2.gz ATEPPTZYLLMCBO-UHFFFAOYSA-N -1 3 383.411 4.460 20 0 GIADHM COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000051285935 822754286 /nfs/dbraw/zinc/75/42/86/822754286.db2.gz OCYQGIYTFCBBRO-UHFFFAOYSA-N -1 3 381.472 4.259 20 0 GIADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1c[n-]c2ccccc2c1=O ZINC000174523551 822800595 /nfs/dbraw/zinc/80/05/95/822800595.db2.gz MBCYMIKQDUSXGH-UHFFFAOYSA-N -1 3 386.373 4.356 20 0 GIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456719828 822826782 /nfs/dbraw/zinc/82/67/82/822826782.db2.gz ZDUMWFVVMGEHKT-IBGZPJMESA-N -1 3 381.451 4.484 20 0 GIADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000185888366 822830299 /nfs/dbraw/zinc/83/02/99/822830299.db2.gz UINDXZGVTHYYHB-DTQAZKPQSA-N -1 3 382.847 4.023 20 0 GIADHM O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1c[n-]c2ccccc2c1=O ZINC000053793052 822848173 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O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cc([O-])ccc1Cl ZINC000569761054 822964921 /nfs/dbraw/zinc/96/49/21/822964921.db2.gz SWRKJKPINJXHRE-UHFFFAOYSA-N -1 3 398.261 4.360 20 0 GIADHM Cc1nc(S(=O)(=O)Cc2coc(-c3cccs3)n2)[n-]c1-c1ccccc1 ZINC000186840447 822965323 /nfs/dbraw/zinc/96/53/23/822965323.db2.gz UORIAWLHDIWLJY-UHFFFAOYSA-N -1 3 385.470 4.076 20 0 GIADHM Cc1[n-]c(S(=O)(=O)Cc2coc(-c3cccs3)n2)nc1-c1ccccc1 ZINC000186840447 822965326 /nfs/dbraw/zinc/96/53/26/822965326.db2.gz UORIAWLHDIWLJY-UHFFFAOYSA-N -1 3 385.470 4.076 20 0 GIADHM CC(C)Oc1cccnc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000175512758 822987795 /nfs/dbraw/zinc/98/77/95/822987795.db2.gz MPJSPTYSEUIVLI-UHFFFAOYSA-N -1 3 386.502 4.265 20 0 GIADHM COc1ccc(CN(C(=O)c2cc(C)ccc2[O-])c2nccs2)c(OC)c1 ZINC000175556108 822996764 /nfs/dbraw/zinc/99/67/64/822996764.db2.gz IZRSDOBBDOXCDA-UHFFFAOYSA-N -1 3 384.457 4.021 20 0 GIADHM CC(=O)c1ccc(OCc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)cc1 ZINC000060694109 823553100 /nfs/dbraw/zinc/55/31/00/823553100.db2.gz DPBPFPZQKCAHGD-UHFFFAOYSA-N -1 3 376.437 4.433 20 0 GIADHM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cccc(F)c1 ZINC000060738718 823554822 /nfs/dbraw/zinc/55/48/22/823554822.db2.gz XWWRKGBHFJUKLB-UHFFFAOYSA-N -1 3 385.395 4.309 20 0 GIADHM CCSc1cc(Cl)ccc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000461028555 823561792 /nfs/dbraw/zinc/56/17/92/823561792.db2.gz ZBWJBPOCBDKTTO-UHFFFAOYSA-N -1 3 389.864 4.367 20 0 GIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000411290003 823562607 /nfs/dbraw/zinc/56/26/07/823562607.db2.gz GDCQKTZNZRNMOC-HLASGMPESA-N -1 3 380.370 4.152 20 0 GIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000124175746 823574711 /nfs/dbraw/zinc/57/47/11/823574711.db2.gz PQLVJXMPEGZMHV-UHFFFAOYSA-N -1 3 390.686 4.220 20 0 GIADHM COC(=O)c1c(-c2ccccc2Cl)csc1[N-]C(=O)c1cc(C)no1 ZINC000061226114 823585353 /nfs/dbraw/zinc/58/53/53/823585353.db2.gz RCRVCYRHJOWIJP-UHFFFAOYSA-N -1 3 376.821 4.404 20 0 GIADHM CC(=O)c1ccc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc1[O-] ZINC000411633507 823592586 /nfs/dbraw/zinc/59/25/86/823592586.db2.gz OBLFJHZRZSZVOK-FQEVSTJZSA-N -1 3 389.455 4.278 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(Cc4ccccc4F)CC3)c2)n1 ZINC000190707805 823600761 /nfs/dbraw/zinc/60/07/61/823600761.db2.gz ZQVOJJSNOIPNSA-UHFFFAOYSA-N -1 3 391.446 4.100 20 0 GIADHM CCc1nnc(CS[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)o1 ZINC000124788277 823626306 /nfs/dbraw/zinc/62/63/06/823626306.db2.gz FXELHRHRXFWEMB-SECBINFHSA-N -1 3 388.474 4.184 20 0 GIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1[O-] ZINC000412182110 823633397 /nfs/dbraw/zinc/63/33/97/823633397.db2.gz ZDFDVTVPFZXJMD-GOSISDBHSA-N -1 3 391.427 4.012 20 0 GIADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1[O-] ZINC000412215743 823636390 /nfs/dbraw/zinc/63/63/90/823636390.db2.gz NSHASHIXHMCGHP-OAHLLOKOSA-N -1 3 387.863 4.179 20 0 GIADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1[O-] ZINC000412215738 823636491 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GIADHM Cc1cn2cc(C(=O)[N-]c3nnc([C@@H]4CCCc5ccccc54)s3)sc2n1 ZINC000574386289 823716363 /nfs/dbraw/zinc/71/63/63/823716363.db2.gz SXTCKIRZWLKTGJ-CQSZACIVSA-N -1 3 395.513 4.276 20 0 GIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2c(C)c(C)ccc2Cl)cc1OC ZINC000574394001 823718408 /nfs/dbraw/zinc/71/84/08/823718408.db2.gz IJMLCPKTGAEFAQ-UHFFFAOYSA-N -1 3 390.288 4.428 20 0 GIADHM CCC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000063981376 823728166 /nfs/dbraw/zinc/72/81/66/823728166.db2.gz NWRWSUAFFQLIFU-QGZVFWFLSA-N -1 3 396.318 4.284 20 0 GIADHM COc1cc(Cl)ccc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000064148093 823755472 /nfs/dbraw/zinc/75/54/72/823755472.db2.gz CWQSLGLOKWAJNI-SECBINFHSA-N -1 3 392.864 4.181 20 0 GIADHM COc1ccc2c(CC(=O)Nc3ccc(Br)cc3[O-])coc2c1 ZINC000125969733 823756074 /nfs/dbraw/zinc/75/60/74/823756074.db2.gz WSZXKWXAFHEJGE-UHFFFAOYSA-N -1 3 376.206 4.091 20 0 GIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000125969636 823756204 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CC(C)(C)OC(=O)c1ccsc1[N-]C(=O)c1nc(Br)cs1 ZINC000191953299 823822698 /nfs/dbraw/zinc/82/26/98/823822698.db2.gz XDVRWFFSHPGOIW-UHFFFAOYSA-N -1 3 389.296 4.175 20 0 GIADHM O=C1[N-]C(=O)C(=CNc2ccc(OCc3ccccc3F)cc2)c2ccccc21 ZINC000064467552 823824782 /nfs/dbraw/zinc/82/47/82/823824782.db2.gz PMVLSKYHXYHBDW-DEDYPNTBSA-N -1 3 388.398 4.128 20 0 GIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1 ZINC000064475625 823826079 /nfs/dbraw/zinc/82/60/79/823826079.db2.gz RRZLVWIOUBILMP-UHFFFAOYSA-N -1 3 396.896 4.277 20 0 GIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)c(C)c1 ZINC000064476911 823826909 /nfs/dbraw/zinc/82/69/09/823826909.db2.gz KXXVFTOWDCBBSJ-UHFFFAOYSA-N -1 3 390.505 4.323 20 0 GIADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1cccs1 ZINC000462188839 823861118 /nfs/dbraw/zinc/86/11/18/823861118.db2.gz MZPBUWPCESFXBR-OAHLLOKOSA-N -1 3 387.548 4.052 20 0 GIADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN([C@@H](C)c4ccsc4)CC3)c2c1 ZINC000575049202 823899609 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)c3cccc(Cl)c3F)cc2)n1 ZINC000186263401 822866807 /nfs/dbraw/zinc/86/68/07/822866807.db2.gz BEPLQFIRIOFFAF-UHFFFAOYSA-N -1 3 399.853 4.454 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)cc1 ZINC000054688573 822906592 /nfs/dbraw/zinc/90/65/92/822906592.db2.gz YHPROGIDHMKHKT-UHFFFAOYSA-N -1 3 399.497 4.106 20 0 GIADHM COc1ccc2c(c1)oc(C(=O)NN=c1nc(C)cc(C)[n-]1)c2-c1ccccc1 ZINC000055165136 822942968 /nfs/dbraw/zinc/94/29/68/822942968.db2.gz QQRHAUMLBPVXLF-UHFFFAOYSA-N -1 3 388.427 4.272 20 0 GIADHM O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000055455433 822965306 /nfs/dbraw/zinc/96/53/06/822965306.db2.gz LMJWWHRQFAACCY-UHFFFAOYSA-N -1 3 378.447 4.299 20 0 GIADHM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000186939847 822983738 /nfs/dbraw/zinc/98/37/38/822983738.db2.gz SPOATQOMAQHPST-UHFFFAOYSA-N -1 3 381.472 4.031 20 0 GIADHM O=C([N-]c1ccsc1Cl)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000186964073 822988306 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GIADHM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1Cl ZINC000181669705 821935510 /nfs/dbraw/zinc/93/55/10/821935510.db2.gz ZXVUHKKUADNTLN-UHFFFAOYSA-N -1 3 397.230 4.020 20 0 GIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c2ccccc12 ZINC000182262132 822175271 /nfs/dbraw/zinc/17/52/71/822175271.db2.gz PSOJUSHSSXFWPP-UHFFFAOYSA-N -1 3 394.374 4.016 20 0 GIADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc([C@@H](C)CC)cc3)ccc2[nH]1 ZINC000182503440 822271603 /nfs/dbraw/zinc/27/16/03/822271603.db2.gz QWCPGRNARVSDFD-AWEZNQCLSA-N -1 3 384.501 4.405 20 0 GIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2scnc2c1 ZINC000178278087 822362518 /nfs/dbraw/zinc/36/25/18/822362518.db2.gz XOXBMJINDKJUCC-UHFFFAOYSA-N -1 3 378.251 4.086 20 0 GIADHM CC[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182999291 822408577 /nfs/dbraw/zinc/40/85/77/822408577.db2.gz GCSXHMWMYMOCEV-CTNGQTDRSA-N -1 3 380.488 4.045 20 0 GIADHM CCc1noc(C)c1[N-]C(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000178845501 822416013 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CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163683861 823736888 /nfs/dbraw/zinc/73/68/88/823736888.db2.gz UIZLZRRHKFUCFS-UHFFFAOYSA-N -1 3 399.235 4.165 20 0 GIADHM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1c[n-]c2ccccc2c1=O ZINC000064091988 823745198 /nfs/dbraw/zinc/74/51/98/823745198.db2.gz BZTXVRFBFFXZLI-UHFFFAOYSA-N -1 3 394.434 4.178 20 0 GIADHM C[C@H](Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1)c1ccccc1 ZINC000191778438 823765301 /nfs/dbraw/zinc/76/53/01/823765301.db2.gz WKPGWJIKCFXASK-NSHDSACASA-N -1 3 376.338 4.216 20 0 GIADHM C[C@H](Oc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1)c1ccccc1 ZINC000191778438 823765308 /nfs/dbraw/zinc/76/53/08/823765308.db2.gz WKPGWJIKCFXASK-NSHDSACASA-N -1 3 376.338 4.216 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2)n1 ZINC000064342467 823796795 /nfs/dbraw/zinc/79/67/95/823796795.db2.gz ZJZYDNOGMNDRGJ-UHFFFAOYSA-N -1 3 379.485 4.328 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000064343036 823797258 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GIADHM CCOc1cccc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000165544167 823853062 /nfs/dbraw/zinc/85/30/62/823853062.db2.gz ZITJGRBPCHIHIA-GFCCVEGCSA-N -1 3 393.281 4.114 20 0 GIADHM COc1cc(-c2ccccc2)sc1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000064808317 823889254 /nfs/dbraw/zinc/88/92/54/823889254.db2.gz VQOJFXISWUISOF-UHFFFAOYSA-N -1 3 390.468 4.316 20 0 GIADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000462305309 823918155 /nfs/dbraw/zinc/91/81/55/823918155.db2.gz IMLZIORZKBKFAQ-DOTOQJQBSA-N -1 3 386.300 4.011 20 0 GIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1NCc1cccnc1 ZINC000126688868 823927122 /nfs/dbraw/zinc/92/71/22/823927122.db2.gz VHTZUFUUPQNNFL-UHFFFAOYSA-N -1 3 398.260 4.414 20 0 GIADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)Nc1cc(Cl)ccc1F ZINC000575236726 823948477 /nfs/dbraw/zinc/94/84/77/823948477.db2.gz UKNYVNAQGCJQEZ-VIFPVBQESA-N -1 3 381.860 4.113 20 0 GIADHM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1ccsc1 ZINC000575377094 823965356 /nfs/dbraw/zinc/96/53/56/823965356.db2.gz 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CCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000187450623 823065905 /nfs/dbraw/zinc/06/59/05/823065905.db2.gz OXZQDUYJZCGHSC-UHFFFAOYSA-N -1 3 389.864 4.286 20 0 GIADHM COc1ccccc1OCc1ccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)o1 ZINC000055977405 823073899 /nfs/dbraw/zinc/07/38/99/823073899.db2.gz ZITCKJCGIWUAIY-UHFFFAOYSA-N -1 3 387.461 4.269 20 0 GIADHM COc1ccccc1COC1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000570931210 823108939 /nfs/dbraw/zinc/10/89/39/823108939.db2.gz GYNNSRADTMOYCH-UHFFFAOYSA-N -1 3 392.455 4.127 20 0 GIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC(C)(C)C2)cc1 ZINC000571081263 823129158 /nfs/dbraw/zinc/12/91/58/823129158.db2.gz QERKXASWMLMENJ-UHFFFAOYSA-N -1 3 386.517 4.479 20 0 GIADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000121184171 823134117 /nfs/dbraw/zinc/13/41/17/823134117.db2.gz ZOOAMNUAZZLLFO-LBPRGKRZSA-N -1 3 394.302 4.049 20 0 GIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000056409466 823145532 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COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000571561553 823200841 /nfs/dbraw/zinc/20/08/41/823200841.db2.gz RNGYLLXCNBRUKO-UHFFFAOYSA-N -1 3 384.295 4.184 20 0 GIADHM C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459488239 823202920 /nfs/dbraw/zinc/20/29/20/823202920.db2.gz IDSCUDVCWNTRPM-SJKOYZFVSA-N -1 3 393.409 4.040 20 0 GIADHM COc1ccc(-c2ocnc2C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000571590965 823204659 /nfs/dbraw/zinc/20/46/59/823204659.db2.gz WOZWKEFBPPQGHE-UHFFFAOYSA-N -1 3 389.205 4.071 20 0 GIADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C)n1-c1nccs1 ZINC000176440000 823208241 /nfs/dbraw/zinc/20/82/41/823208241.db2.gz DNQKNKDYMGJYRB-UHFFFAOYSA-N -1 3 392.278 4.271 20 0 GIADHM O=C(c1ccc(NCc2cccc([O-])c2Br)cc1)N1CCCC1 ZINC000459512975 823208477 /nfs/dbraw/zinc/20/84/77/823208477.db2.gz OFEZYFZFVVVSTI-UHFFFAOYSA-N -1 3 375.266 4.003 20 0 GIADHM CSCc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000121593766 823212661 /nfs/dbraw/zinc/21/26/61/823212661.db2.gz CPXLIBAFTADPMM-UHFFFAOYSA-N -1 3 381.295 4.339 20 0 GIADHM CCOc1cc(CNc2cc(F)c(N3CCOCC3)cc2F)cc(Cl)c1[O-] ZINC000459546246 823217251 /nfs/dbraw/zinc/21/72/51/823217251.db2.gz HPAWXYLUYQLJQO-UHFFFAOYSA-N -1 3 398.837 4.171 20 0 GIADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4ccccc4C)n3)n[nH]2)cc1 ZINC000571902537 823251833 /nfs/dbraw/zinc/25/18/33/823251833.db2.gz SMPZNESNKPGIBJ-UHFFFAOYSA-N -1 3 375.457 4.464 20 0 GIADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc([O-])c(Br)c1 ZINC000409578138 823253488 /nfs/dbraw/zinc/25/34/88/823253488.db2.gz VHCKINUTSVALRT-HNNXBMFYSA-N -1 3 381.657 4.395 20 0 GIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cnn(C(C)C)c2)c1Cl ZINC000571949516 823259015 /nfs/dbraw/zinc/25/90/15/823259015.db2.gz APINHQUHYUYLIF-NSHDSACASA-N -1 3 376.309 4.119 20 0 GIADHM COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000003507656 817473333 /nfs/dbraw/zinc/47/33/33/817473333.db2.gz JYAJNVWIDDONEP-OAQYLSRUSA-N -1 3 391.423 4.246 20 0 GIADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005061016 817548156 /nfs/dbraw/zinc/54/81/56/817548156.db2.gz KOQCAVNLZLBVEJ-INIZCTEOSA-N -1 3 391.423 4.155 20 0 GIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000005356091 817576381 /nfs/dbraw/zinc/57/63/81/817576381.db2.gz YXAUJTLHCGTJKC-SNVBAGLBSA-N -1 3 376.865 4.102 20 0 GIADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)n[nH]2)c(C)c1 ZINC000188614396 823273273 /nfs/dbraw/zinc/27/32/73/823273273.db2.gz MXFFERFQGSVMTE-UHFFFAOYSA-N -1 3 399.454 4.005 20 0 GIADHM C[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1nc(-c2cccc(F)c2)no1 ZINC000176728753 823279151 /nfs/dbraw/zinc/27/91/51/823279151.db2.gz KTPYHAITXYLSET-CYBMUJFWSA-N -1 3 397.431 4.068 20 0 GIADHM CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057289349 823276275 /nfs/dbraw/zinc/27/62/75/823276275.db2.gz HMQDLTPZRDZBEG-MRXNPFEDSA-N -1 3 381.259 4.092 20 0 GIADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(F)cc1F ZINC000006343757 817679572 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GIADHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000050534844 822733036 /nfs/dbraw/zinc/73/30/36/822733036.db2.gz BWICCURPKBPKJU-UHFFFAOYSA-N -1 3 382.938 4.002 20 0 GIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC000185375061 822774525 /nfs/dbraw/zinc/77/45/25/822774525.db2.gz AOECYLLGNJPBOF-UHFFFAOYSA-N -1 3 397.475 4.126 20 0 GIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456128509 822781794 /nfs/dbraw/zinc/78/17/94/822781794.db2.gz ZMTVGGRDTIBBRQ-NNWRFLSQSA-N -1 3 379.500 4.139 20 0 GIADHM CCCN(CC1CCCCC1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000185428595 822782603 /nfs/dbraw/zinc/78/26/03/822782603.db2.gz VTEHCCRYGGIUHZ-UHFFFAOYSA-N -1 3 399.491 4.373 20 0 GIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000185907842 822832241 /nfs/dbraw/zinc/83/22/41/822832241.db2.gz PAQWNBSYANVDBP-UHFFFAOYSA-N -1 3 389.451 4.308 20 0 GIADHM CCc1c([N-]S(=O)(=O)CCc2cccs2)cnn1-c1ccc(Cl)cc1 ZINC000569057583 822874887 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GIADHM CCCCOc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000190593193 823589305 /nfs/dbraw/zinc/58/93/05/823589305.db2.gz VLVJRYBKDBHRHC-DNVCBOLYSA-N -1 3 389.517 4.361 20 0 GIADHM CCCN(C(=O)c1ccc(CC)cc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000190825351 823613573 /nfs/dbraw/zinc/61/35/73/823613573.db2.gz OOEOMSBSTQRMPI-UHFFFAOYSA-N -1 3 394.515 4.112 20 0 GIADHM CCc1nnc([C@H](C)SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)o1 ZINC000124767067 823624620 /nfs/dbraw/zinc/62/46/20/823624620.db2.gz NRQNCLRMVMQNFP-VIFPVBQESA-N -1 3 388.474 4.184 20 0 GIADHM CCCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461426619 823634344 /nfs/dbraw/zinc/63/43/44/823634344.db2.gz OYYWETZXFNRBDK-OAHLLOKOSA-N -1 3 392.496 4.277 20 0 GIADHM CC(=O)c1ccc(C(=O)N2CCC(C)(c3nc4ccccc4s3)CC2)cc1[O-] ZINC000412333200 823647599 /nfs/dbraw/zinc/64/75/99/823647599.db2.gz KEWYUVPSRIHKDY-UHFFFAOYSA-N -1 3 394.496 4.398 20 0 GIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1 ZINC000063146750 823652779 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)n1 ZINC000064342527 823796746 /nfs/dbraw/zinc/79/67/46/823796746.db2.gz WNHRJBQKUREANL-UHFFFAOYSA-N -1 3 379.803 4.397 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)n1 ZINC000064359332 823800045 /nfs/dbraw/zinc/80/00/45/823800045.db2.gz LMRWJPJJMSOVTI-UHFFFAOYSA-N -1 3 385.876 4.130 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)n1 ZINC000064374457 823803121 /nfs/dbraw/zinc/80/31/21/823803121.db2.gz UJESREDZDSZTNV-UHFFFAOYSA-N -1 3 398.466 4.358 20 0 GIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC000574729201 823812318 /nfs/dbraw/zinc/81/23/18/823812318.db2.gz CUHKQAMHFWQFSI-UHFFFAOYSA-N -1 3 383.753 4.304 20 0 GIADHM O=C([N-]c1ncc(Cc2cccc(F)c2)s1)c1cc(-c2ccccn2)no1 ZINC000462115597 823832873 /nfs/dbraw/zinc/83/28/73/823832873.db2.gz CANZKDWNIXIICX-UHFFFAOYSA-N -1 3 380.404 4.175 20 0 GIADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC([C@](C)(O)C(F)(F)F)CC3)c2c1 ZINC000574813609 823833207 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Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000065122640 823947661 /nfs/dbraw/zinc/94/76/61/823947661.db2.gz YNDZQULMNGIAIJ-UHFFFAOYSA-N -1 3 392.488 4.042 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)c(C)c1 ZINC000462380169 823950973 /nfs/dbraw/zinc/95/09/73/823950973.db2.gz NFRQRHPHXKZNTQ-INIZCTEOSA-N -1 3 388.533 4.165 20 0 GIADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C2CC2)s1 ZINC000462394513 823958500 /nfs/dbraw/zinc/95/85/00/823958500.db2.gz QWBYXMVFUCKPTP-CYBMUJFWSA-N -1 3 377.318 4.188 20 0 GIADHM C[C@@H]1c2cccn2CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000014242871 210111691 /nfs/dbraw/zinc/11/16/91/210111691.db2.gz JZQXVSOMHCDEKC-CQSZACIVSA-N -1 3 376.485 4.030 20 0 GIADHM Cc1sc2[n-]c(CSc3ncccn3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000006291878 212067810 /nfs/dbraw/zinc/06/78/10/212067810.db2.gz IWFCDDZLNNJHEO-UHFFFAOYSA-N -1 3 380.498 4.351 20 0 GIADHM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000056011577 823078646 /nfs/dbraw/zinc/07/86/46/823078646.db2.gz KMCWALSKMKHDDI-UHFFFAOYSA-N -1 3 398.462 4.080 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OCC4CC4)cc3)c2)n1 ZINC000056013760 823078997 /nfs/dbraw/zinc/07/89/97/823078997.db2.gz CCGLZAVDWIKITB-UHFFFAOYSA-N -1 3 389.455 4.040 20 0 GIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000056114715 823084754 /nfs/dbraw/zinc/08/47/54/823084754.db2.gz SWJFVKAYPJAMSA-SFHVURJKSA-N -1 3 397.272 4.268 20 0 GIADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056134935 823087005 /nfs/dbraw/zinc/08/70/05/823087005.db2.gz HDEKICLYWXBFAI-OAHLLOKOSA-N -1 3 378.472 4.023 20 0 GIADHM COc1cc(C(=O)/C=C/c2cccc(Br)c2OC)c(OC)cc1[O-] ZINC000187645376 823104249 /nfs/dbraw/zinc/10/42/49/823104249.db2.gz FNRHHISJUYMOCS-BQYQJAHWSA-N -1 3 393.233 4.077 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3cc4ccccc4o3)c2)n1 ZINC000176093081 823118045 /nfs/dbraw/zinc/11/80/45/823118045.db2.gz DQEKVEQKVBPMHL-AWEZNQCLSA-N -1 3 387.439 4.488 20 0 GIADHM CCOc1cc(CN(C)CC(=O)Nc2cccc(C)c2C)cc(Cl)c1[O-] ZINC000459296505 823158050 /nfs/dbraw/zinc/15/80/50/823158050.db2.gz QOFZIZRUOAKMBE-UHFFFAOYSA-N -1 3 376.884 4.132 20 0 GIADHM O=C1CCCCN1c1cccc(NCc2cccc([O-])c2Br)c1 ZINC000459336495 823163898 /nfs/dbraw/zinc/16/38/98/823163898.db2.gz BYBDCDGZRISOMY-UHFFFAOYSA-N -1 3 375.266 4.284 20 0 GIADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc([O-])c1Br ZINC000459338208 823164518 /nfs/dbraw/zinc/16/45/18/823164518.db2.gz AQUURRURTHKGST-AMXDTQDGSA-N -1 3 382.323 4.085 20 0 GIADHM CCCOc1ccc(CNCc2cccc([O-])c2Br)cc1OC ZINC000459370233 823174808 /nfs/dbraw/zinc/17/48/08/823174808.db2.gz RCELNTHGENYWLG-UHFFFAOYSA-N -1 3 380.282 4.242 20 0 GIADHM O=C(Nc1cccc(CNCc2cccc([O-])c2Br)c1)C1CCC1 ZINC000459370386 823174870 /nfs/dbraw/zinc/17/48/70/823174870.db2.gz AFMTWBBFKRCFJX-UHFFFAOYSA-N -1 3 389.293 4.183 20 0 GIADHM [O-]c1cccc(CNCc2ccc(OCC(F)(F)F)cc2)c1Br ZINC000459394492 823182052 /nfs/dbraw/zinc/18/20/52/823182052.db2.gz UMAQZWNMSAKIDH-UHFFFAOYSA-N -1 3 390.199 4.386 20 0 GIADHM [O-]c1cccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1Br ZINC000459401858 823184881 /nfs/dbraw/zinc/18/48/81/823184881.db2.gz YNURDNXGBDOAHY-AEFFLSMTSA-N -1 3 380.257 4.304 20 0 GIADHM Cc1c2ccccc2nc(CN(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1C(=O)[O-] ZINC000571452320 823185037 /nfs/dbraw/zinc/18/50/37/823185037.db2.gz GLGMEMXABFABOJ-YCRPNKLZSA-N -1 3 376.456 4.065 20 0 GIADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1C1CC1 ZINC000121501999 823195612 /nfs/dbraw/zinc/19/56/12/823195612.db2.gz TWUPTMDPSSXMBJ-AWEZNQCLSA-N -1 3 391.475 4.043 20 0 GIADHM CCCN1C(=O)CCc2cc(NCc3cccc([O-])c3Br)ccc21 ZINC000459465875 823198270 /nfs/dbraw/zinc/19/82/70/823198270.db2.gz PXMGJKOWUARION-UHFFFAOYSA-N -1 3 389.293 4.456 20 0 GIADHM O=C(Cc1coc(-c2cccs2)n1)Nc1cc(Br)ccc1[O-] ZINC000176433711 823206678 /nfs/dbraw/zinc/20/66/78/823206678.db2.gz VKIDMLXJYOYBPM-UHFFFAOYSA-N -1 3 379.235 4.052 20 0 GIADHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176438617 823207982 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O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1ccc(Br)s1 ZINC000022276570 818788054 /nfs/dbraw/zinc/78/80/54/818788054.db2.gz MNBSTDNZDLMQCA-SNVBAGLBSA-N -1 3 390.349 4.026 20 0 GIADHM C[C@H]1CCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c2c([O-])cccc21 ZINC000189159047 823367213 /nfs/dbraw/zinc/36/72/13/823367213.db2.gz GQCRPRWJLIBEBV-HNNXBMFYSA-N -1 3 387.435 4.483 20 0 GIADHM C[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c2c([O-])cccc21 ZINC000189159018 823367355 /nfs/dbraw/zinc/36/73/55/823367355.db2.gz GQCRPRWJLIBEBV-OAHLLOKOSA-N -1 3 387.435 4.483 20 0 GIADHM O=C(CSc1ccc2c(c1)CCC2)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000022653281 818838066 /nfs/dbraw/zinc/83/80/66/818838066.db2.gz XLGKFDYRIQPCKY-UHFFFAOYSA-N -1 3 395.311 4.035 20 0 GIADHM COc1c(F)ccc(F)c1C(=O)[N-]c1cc(F)cc(Br)c1F ZINC000572920013 823419726 /nfs/dbraw/zinc/41/97/26/823419726.db2.gz KZHQUWDNBLWYOW-UHFFFAOYSA-N -1 3 378.119 4.266 20 0 GIADHM O=C(OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000058721932 823439135 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O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1cc(F)ccc1F ZINC000028302860 820323939 /nfs/dbraw/zinc/32/39/39/820323939.db2.gz XDKDMDCJRHHZNG-UHFFFAOYSA-N -1 3 396.419 4.430 20 0 GIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000028752671 820355220 /nfs/dbraw/zinc/35/52/20/820355220.db2.gz MXJCBZUKMKKGLI-DTWKUNHWSA-N -1 3 389.666 4.398 20 0 GIADHM Cc1ccccc1-n1ncc(C(=O)[N-]c2nnc(C3CC3)s2)c1C(F)(F)F ZINC000028975863 820378939 /nfs/dbraw/zinc/37/89/39/820378939.db2.gz RYKAVEYBOUJIJP-UHFFFAOYSA-N -1 3 393.394 4.181 20 0 GIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000029047971 820387020 /nfs/dbraw/zinc/38/70/20/820387020.db2.gz JSOULSARERGYCR-UHFFFAOYSA-N -1 3 390.505 4.261 20 0 GIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000029047470 820387075 /nfs/dbraw/zinc/38/70/75/820387075.db2.gz NMNIYMFRKSDXMW-UHFFFAOYSA-N -1 3 389.304 4.411 20 0 GIADHM CN(CCOc1cccc(Cl)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000029143447 820399039 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CCSc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccn1 ZINC000183495514 822485732 /nfs/dbraw/zinc/48/57/32/822485732.db2.gz UMWPXGVBLRACHT-CQSZACIVSA-N -1 3 394.283 4.462 20 0 GIADHM Cc1cccc(I)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179459434 822486157 /nfs/dbraw/zinc/48/61/57/822486157.db2.gz UFWDHVLISTULNT-UHFFFAOYSA-N -1 3 387.604 4.211 20 0 GIADHM O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-])N1CCCC1 ZINC000179638136 822517681 /nfs/dbraw/zinc/51/76/81/822517681.db2.gz KCDLFBYJQDFVSA-UHFFFAOYSA-N -1 3 390.892 4.012 20 0 GIADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179764624 822546943 /nfs/dbraw/zinc/54/69/43/822546943.db2.gz NTOSDAUMBWIWFG-GFCCVEGCSA-N -1 3 392.381 4.108 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000047325906 822566729 /nfs/dbraw/zinc/56/67/29/822566729.db2.gz KPININLLUGSBOW-UHFFFAOYSA-N -1 3 391.830 4.067 20 0 GIADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)c3ccccc32)c(=O)[n-]1 ZINC000184270491 822606490 /nfs/dbraw/zinc/60/64/90/822606490.db2.gz 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O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456128507 822781559 /nfs/dbraw/zinc/78/15/59/822781559.db2.gz ZMTVGGRDTIBBRQ-FCEUIQTBSA-N -1 3 379.500 4.139 20 0 GIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Br)ccc1Br ZINC000185622257 822803382 /nfs/dbraw/zinc/80/33/82/822803382.db2.gz OAYJTCIRDILAPO-UHFFFAOYSA-N -1 3 389.018 4.309 20 0 GIADHM O=C([N-]NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc2ccccc2n1 ZINC000052727548 822808640 /nfs/dbraw/zinc/80/86/40/822808640.db2.gz CKPSOSOSYAYUSD-UHFFFAOYSA-N -1 3 391.283 4.173 20 0 GIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000053445833 822835282 /nfs/dbraw/zinc/83/52/82/822835282.db2.gz DLFYEEOUYSNBMQ-UHFFFAOYSA-N -1 3 386.373 4.352 20 0 GIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000053456314 822835848 /nfs/dbraw/zinc/83/58/48/822835848.db2.gz IAMTWKPXKDINDK-UHFFFAOYSA-N -1 3 386.373 4.352 20 0 GIADHM COc1cc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1OCC(C)C ZINC000053478057 822836947 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GIADHM CC[C@@H](CC(F)F)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000457377548 822871433 /nfs/dbraw/zinc/87/14/33/822871433.db2.gz PTTVPZITKRSOCM-AWEZNQCLSA-N -1 3 396.459 4.416 20 0 GIADHM COc1cc(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)cc(OC)c1[O-] ZINC000186660709 822931693 /nfs/dbraw/zinc/93/16/93/822931693.db2.gz FMTXICWASIGIPD-GFCCVEGCSA-N -1 3 375.852 4.429 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000055318726 822951682 /nfs/dbraw/zinc/95/16/82/822951682.db2.gz JCNFTYQFWZUPHT-UHFFFAOYSA-N -1 3 391.471 4.160 20 0 GIADHM Cc1nc(S(=O)(=O)Cc2nc(C(C)(C)C)cs2)[n-]c1-c1ccccc1 ZINC000186836545 822964501 /nfs/dbraw/zinc/96/45/01/822964501.db2.gz QGXWZFQCRHVZPD-UHFFFAOYSA-N -1 3 375.519 4.113 20 0 GIADHM Cc1[n-]c(S(=O)(=O)Cc2nc(C(C)(C)C)cs2)nc1-c1ccccc1 ZINC000186836545 822964505 /nfs/dbraw/zinc/96/45/05/822964505.db2.gz QGXWZFQCRHVZPD-UHFFFAOYSA-N -1 3 375.519 4.113 20 0 GIADHM CCCCCCNC(=O)Cc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000055491166 822970084 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O=C(NNc1cccc(Br)c1)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000187072637 823006696 /nfs/dbraw/zinc/00/66/96/823006696.db2.gz NBUXIBMYBBNNGJ-UHFFFAOYSA-N -1 3 397.685 4.311 20 0 GIADHM O=C(NNc1cccc(Br)c1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187072637 823006699 /nfs/dbraw/zinc/00/66/99/823006699.db2.gz NBUXIBMYBBNNGJ-UHFFFAOYSA-N -1 3 397.685 4.311 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000175768022 823035474 /nfs/dbraw/zinc/03/54/74/823035474.db2.gz NYYQOGDFOUMBKX-UHFFFAOYSA-N -1 3 397.862 4.018 20 0 GIADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3csc([C@@H]4CCCO4)n3)n[nH]2)cc1 ZINC000123963994 823555961 /nfs/dbraw/zinc/55/59/61/823555961.db2.gz YCUGRPYSFADKAD-HNNXBMFYSA-N -1 3 397.504 4.330 20 0 GIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000123999016 823558946 /nfs/dbraw/zinc/55/89/46/823558946.db2.gz GQSPRRFENJEUNB-UHFFFAOYSA-N -1 3 399.299 4.229 20 0 GIADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000060950065 823568753 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CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000061341847 823592440 /nfs/dbraw/zinc/59/24/40/823592440.db2.gz KIXZHUKXPMYEPM-UUASQNMZSA-N -1 3 388.489 4.099 20 0 GIADHM CCc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([O-])c1 ZINC000190800033 823610540 /nfs/dbraw/zinc/61/05/40/823610540.db2.gz RXSZPKWIKJIUTR-MRXNPFEDSA-N -1 3 395.434 4.164 20 0 GIADHM Cc1nc(CC2CC2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000190843005 823615500 /nfs/dbraw/zinc/61/55/00/823615500.db2.gz ISZYMLVCSRQTDA-LBPRGKRZSA-N -1 3 391.855 4.158 20 0 GIADHM COc1cccc(-c2ccc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)c1 ZINC000461330183 823618624 /nfs/dbraw/zinc/61/86/24/823618624.db2.gz GXGMSTNPRTZAAU-UHFFFAOYSA-N -1 3 384.435 4.134 20 0 GIADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CCO1 ZINC000062553675 823641035 /nfs/dbraw/zinc/64/10/35/823641035.db2.gz KYGOHXQFHMCKSJ-MRXNPFEDSA-N -1 3 388.533 4.010 20 0 GIADHM CC(=O)c1ccc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1[O-] ZINC000412270790 823642002 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O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000163660764 823734047 /nfs/dbraw/zinc/73/40/47/823734047.db2.gz TZMCDBLEAVGZEW-UHFFFAOYSA-N -1 3 385.414 4.241 20 0 GIADHM O=C(NCc1ccc([O-])c(F)c1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000163663612 823734457 /nfs/dbraw/zinc/73/44/57/823734457.db2.gz QYGMXSCKXPLGHX-UHFFFAOYSA-N -1 3 397.425 4.020 20 0 GIADHM Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3[O-])c12 ZINC000126001886 823764096 /nfs/dbraw/zinc/76/40/96/823764096.db2.gz NRPGOLRYQWYISR-UHFFFAOYSA-N -1 3 388.221 4.129 20 0 GIADHM COc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1OC(F)F ZINC000126010793 823765808 /nfs/dbraw/zinc/76/58/08/823765808.db2.gz BRYUFHNRSZRRBO-UHFFFAOYSA-N -1 3 388.164 4.017 20 0 GIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)cc1 ZINC000064477076 823826769 /nfs/dbraw/zinc/82/67/69/823826769.db2.gz WTSIKLYNRRJLJT-AWEZNQCLSA-N -1 3 376.478 4.013 20 0 GIADHM COc1ccc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)cc1F ZINC000462112950 823831904 /nfs/dbraw/zinc/83/19/04/823831904.db2.gz QDPZKJOBAVNOAI-UHFFFAOYSA-N -1 3 396.403 4.260 20 0 GIADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)c(Br)c1 ZINC000462123951 823837042 /nfs/dbraw/zinc/83/70/42/823837042.db2.gz ZWURVHQWHKUQCB-JTQLQIEISA-N -1 3 384.220 4.243 20 0 GIADHM CC(C)OCc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000165333362 823844057 /nfs/dbraw/zinc/84/40/57/823844057.db2.gz FHXUTWLMPRPUOZ-UHFFFAOYSA-N -1 3 393.281 4.401 20 0 GIADHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cccc(Br)c1F ZINC000192110795 823863587 /nfs/dbraw/zinc/86/35/87/823863587.db2.gz AYARYBGSCAJXBP-UHFFFAOYSA-N -1 3 375.100 4.027 20 0 GIADHM CCOC(=O)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)c(F)cc1C ZINC000575146182 823922698 /nfs/dbraw/zinc/92/26/98/823922698.db2.gz OYJRXHAOUODZSK-UHFFFAOYSA-N -1 3 377.387 4.117 20 0 GIADHM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1ccc(F)c(Cl)c1 ZINC000065079980 823937734 /nfs/dbraw/zinc/93/77/34/823937734.db2.gz QADDXIHVYQLMOK-UHFFFAOYSA-N -1 3 378.812 4.467 20 0 GIADHM Cc1ccc(-c2nnc([N-]C(=O)c3coc(Br)c3)s2)c(C)c1 ZINC000065085013 823938580 /nfs/dbraw/zinc/93/85/80/823938580.db2.gz BWDBUEVHDMEVHF-UHFFFAOYSA-N -1 3 378.251 4.430 20 0 GIADHM CC(C)CCn1ncc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1C(C)C ZINC000414386241 823970975 /nfs/dbraw/zinc/97/09/75/823970975.db2.gz WHJCMULVWDRSMB-PKOBYXMFSA-N -1 3 375.538 4.350 20 0 GIADHM CSc1nsc([N-]C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)n1 ZINC000127125542 824022443 /nfs/dbraw/zinc/02/24/43/824022443.db2.gz KCGSYCXHOJWBML-UHFFFAOYSA-N -1 3 393.925 4.027 20 0 GIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccnc2C)cc1 ZINC000170990182 824029512 /nfs/dbraw/zinc/02/95/12/824029512.db2.gz DCQUMBOUHXQKPW-UHFFFAOYSA-N -1 3 395.484 4.060 20 0 GIADHM CCN(CCOc1ccccc1C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000576003825 824047572 /nfs/dbraw/zinc/04/75/72/824047572.db2.gz GEEKRQATFJVDMR-UHFFFAOYSA-N -1 3 378.472 4.451 20 0 GIADHM O=C([O-])C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000002528876 209368027 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[O-]c1cccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1Br ZINC000459340874 823165221 /nfs/dbraw/zinc/16/52/21/823165221.db2.gz PQGVWIGDWOUBIX-INIZCTEOSA-N -1 3 384.220 4.006 20 0 GIADHM CCOc1cc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc(Cl)c1[O-] ZINC000459346012 823166949 /nfs/dbraw/zinc/16/69/49/823166949.db2.gz BESWUZOJWIABPG-SUMWQHHRSA-N -1 3 383.822 4.030 20 0 GIADHM CCOc1cc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000459353935 823169616 /nfs/dbraw/zinc/16/96/16/823169616.db2.gz IMNLDSNPXYKBTM-DYVFJYSZSA-N -1 3 383.822 4.030 20 0 GIADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000188039664 823175718 /nfs/dbraw/zinc/17/57/18/823175718.db2.gz OOWWMXNBLAUJSO-BJMVGYQFSA-N -1 3 382.634 4.403 20 0 GIADHM [O-]c1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1Br ZINC000459379417 823177489 /nfs/dbraw/zinc/17/74/89/823177489.db2.gz XZHJVNPVEUOIPC-LJQANCHMSA-N -1 3 390.277 4.167 20 0 GIADHM CCOc1ccc([C@@H](C)NCc2cccc([O-])c2Br)cc1OC ZINC000459387236 823180287 /nfs/dbraw/zinc/18/02/87/823180287.db2.gz KDQGQFLEICEKPR-GFCCVEGCSA-N -1 3 380.282 4.413 20 0 GIADHM CC(C)[C@H]1C[C@](NCc2cnn(Cc3ccccc3)c2)(C(=O)[O-])c2ccccc21 ZINC000571424626 823180770 /nfs/dbraw/zinc/18/07/70/823180770.db2.gz PZZVXODNIXNXSQ-ZJSXRUAMSA-N -1 3 389.499 4.144 20 0 GIADHM CCOc1ccc([C@@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1OC ZINC000459392663 823181757 /nfs/dbraw/zinc/18/17/57/823181757.db2.gz LYHLTMFKXIBSDM-OAHLLOKOSA-N -1 3 379.460 4.107 20 0 GIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000176347323 823188730 /nfs/dbraw/zinc/18/87/30/823188730.db2.gz QSCVISNBJPQGAU-SECBINFHSA-N -1 3 382.291 4.174 20 0 GIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC4(CCCCC4)O3)cc2)cc(=O)[n-]1 ZINC000571468600 823187436 /nfs/dbraw/zinc/18/74/36/823187436.db2.gz JKRVUAPNAYKLDU-SFHVURJKSA-N -1 3 396.491 4.161 20 0 GIADHM CCOc1cc(CN[C@H](C)c2noc(Cc3ccccc3)n2)cc(Cl)c1[O-] ZINC000459429662 823190578 /nfs/dbraw/zinc/19/05/78/823190578.db2.gz QAQYREZLIPJIJY-CYBMUJFWSA-N -1 3 387.867 4.269 20 0 GIADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)sc1Cl ZINC000188143371 823193114 /nfs/dbraw/zinc/19/31/14/823193114.db2.gz IAEOILPKSWZAID-MRXNPFEDSA-N -1 3 396.896 4.312 20 0 GIADHM [O-]c1cccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1Br ZINC000459466055 823198121 /nfs/dbraw/zinc/19/81/21/823198121.db2.gz OOFVRYKADVFLFE-RHSMWYFYSA-N -1 3 382.685 4.428 20 0 GIADHM CCOc1cc(CN[C@@H](C(=O)OC)c2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000459498475 823204789 /nfs/dbraw/zinc/20/47/89/823204789.db2.gz LHJDOQVQKJJLHY-GOSISDBHSA-N -1 3 377.868 4.065 20 0 GIADHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176438640 823207890 /nfs/dbraw/zinc/20/78/90/823207890.db2.gz HVBMQWPQHQHHLI-IINYFYTJSA-N -1 3 389.249 4.002 20 0 GIADHM CCOc1cc(CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000459550395 823218309 /nfs/dbraw/zinc/21/83/09/823218309.db2.gz XYKPKNLFMPZCKE-HNNXBMFYSA-N -1 3 390.911 4.096 20 0 GIADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000188472058 823245982 /nfs/dbraw/zinc/24/59/82/823245982.db2.gz SJFNLFOCDJVSJS-UHFFFAOYSA-N -1 3 376.272 4.111 20 0 GIADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000000881515 817373761 /nfs/dbraw/zinc/37/37/61/817373761.db2.gz FQWLWYZBTDUHIT-UHFFFAOYSA-N -1 3 385.836 4.198 20 0 GIADHM C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000005061156 817548648 /nfs/dbraw/zinc/54/86/48/817548648.db2.gz UBZRLSAGTWAUFS-QWRGUYRKSA-N -1 3 382.243 4.122 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000121908575 823274772 /nfs/dbraw/zinc/27/47/72/823274772.db2.gz DHWQMNWWJUMKPD-UHFFFAOYSA-N -1 3 393.270 4.462 20 0 GIADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cc([O-])ccc1Cl)O[C@@H](C)C2 ZINC000572064033 823276991 /nfs/dbraw/zinc/27/69/91/823276991.db2.gz YBCIECMIZPWWKO-MIUNTBIASA-N -1 3 387.863 4.054 20 0 GIADHM COCc1c2ccccc2oc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000006334386 817678218 /nfs/dbraw/zinc/67/82/18/817678218.db2.gz FROUHWHEORFWNR-UHFFFAOYSA-N -1 3 379.441 4.274 20 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379.441 4.068 20 0 GIADHM O=C(CSc1nc2ccccc2o1)Nc1cc(Br)ccc1[O-] ZINC000126483950 823880349 /nfs/dbraw/zinc/88/03/49/823880349.db2.gz HULHECUBVPDCRO-UHFFFAOYSA-N -1 3 379.235 4.027 20 0 GIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OCc2ccccn2)cc1 ZINC000126646484 823918859 /nfs/dbraw/zinc/91/88/59/823918859.db2.gz SGDOLQYSSROGHY-UHFFFAOYSA-N -1 3 399.244 4.381 20 0 GIADHM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000575160866 823927198 /nfs/dbraw/zinc/92/71/98/823927198.db2.gz YFDDVMCEBNJUBY-UHFFFAOYSA-N -1 3 385.420 4.109 20 0 GIADHM O=c1[n-]c(CN2CCCn3c(cc4ccccc43)C2)nc2c3ccccc3oc21 ZINC000575190313 823935293 /nfs/dbraw/zinc/93/52/93/823935293.db2.gz PARBDYIUGMSVMX-UHFFFAOYSA-N -1 3 384.439 4.442 20 0 GIADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cc2ccccc2s1 ZINC000170968999 824022711 /nfs/dbraw/zinc/02/27/11/824022711.db2.gz RVCQKOKJQHIHDV-RHSMWYFYSA-N -1 3 394.496 4.089 20 0 GIADHM Cc1cc(Cl)ccc1CN1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000570519852 823049208 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GIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)o1 ZINC000570534006 823050747 /nfs/dbraw/zinc/05/07/47/823050747.db2.gz IKNPJFPCCDTJHS-UHFFFAOYSA-N -1 3 376.869 4.284 20 0 GIADHM O=c1nc(CN[C@H](c2ccccc2)C2(CO)CCCCC2)[n-]c2ccsc21 ZINC000570683695 823071746 /nfs/dbraw/zinc/07/17/46/823071746.db2.gz GVAMDVRYZMGQJU-LJQANCHMSA-N -1 3 383.517 4.171 20 0 GIADHM C[C@H]1CC2(CCC2)CN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000570759690 823082354 /nfs/dbraw/zinc/08/23/54/823082354.db2.gz BEUALQVLSOYCGY-UWJYYQICSA-N -1 3 392.499 4.045 20 0 GIADHM CCc1noc(C)c1[N-]C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000120892382 823083036 /nfs/dbraw/zinc/08/30/36/823083036.db2.gz BZVFXNLPFDLYHO-UHFFFAOYSA-N -1 3 378.354 4.311 20 0 GIADHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000570771533 823084981 /nfs/dbraw/zinc/08/49/81/823084981.db2.gz COXODACKPTXTSB-SNVBAGLBSA-N -1 3 392.531 4.178 20 0 GIADHM Cc1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)nc(C(F)(F)F)n1 ZINC000187597027 823095133 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CC[C@H](NCc1cccc([O-])c1Br)c1ccc2c(c1)OCCO2 ZINC000459367430 823174280 /nfs/dbraw/zinc/17/42/80/823174280.db2.gz FDYSQEZIVKCPSX-AWEZNQCLSA-N -1 3 378.266 4.167 20 0 GIADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459384507 823179231 /nfs/dbraw/zinc/17/92/31/823179231.db2.gz HJRZVZSMLHSECC-IBGZPJMESA-N -1 3 377.492 4.327 20 0 GIADHM [O-]c1cccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1Br ZINC000459401859 823184854 /nfs/dbraw/zinc/18/48/54/823184854.db2.gz YNURDNXGBDOAHY-FUHWJXTLSA-N -1 3 380.257 4.304 20 0 GIADHM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1c[n-]c2ccccc2c1=O ZINC000571470673 823187468 /nfs/dbraw/zinc/18/74/68/823187468.db2.gz YMPFXPDCJFQGBN-HXUWFJFHSA-N -1 3 396.874 4.079 20 0 GIADHM C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459488234 823202971 /nfs/dbraw/zinc/20/29/71/823202971.db2.gz IDSCUDVCWNTRPM-PXAZEXFGSA-N -1 3 393.409 4.040 20 0 GIADHM O=C(Nc1cc(Br)ccc1[O-])c1cccnc1SC(F)F ZINC000176435640 823207300 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GIADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000011808720 818121319 /nfs/dbraw/zinc/12/13/19/818121319.db2.gz UNCVNWYEWNIVPD-UHFFFAOYSA-N -1 3 381.137 4.136 20 0 GIADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810629 818122614 /nfs/dbraw/zinc/12/26/14/818122614.db2.gz DGQBMAYBIHBXKQ-QMMMGPOBSA-N -1 3 375.639 4.467 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(OC(F)F)c3)c2)n1 ZINC000409811445 823314041 /nfs/dbraw/zinc/31/40/41/823314041.db2.gz LIUFOPHGXIFROM-UHFFFAOYSA-N -1 3 399.397 4.194 20 0 GIADHM CCSc1nnc([N-]C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)s1 ZINC000012228498 818148257 /nfs/dbraw/zinc/14/82/57/818148257.db2.gz PJJLAZLUVIKLHU-UHFFFAOYSA-N -1 3 397.485 4.414 20 0 GIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)c1C ZINC000014232491 818229987 /nfs/dbraw/zinc/22/99/87/818229987.db2.gz RHGSKIAYEAAIAV-UHFFFAOYSA-N -1 3 383.517 4.274 20 0 GIADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1ccc(F)cc1F ZINC000014256572 818230631 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GIADHM Cc1cccc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)c1C ZINC000058029916 823355994 /nfs/dbraw/zinc/35/59/94/823355994.db2.gz BGEWRVHUVUXVHD-UHFFFAOYSA-N -1 3 388.471 4.021 20 0 GIADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2Oc2ccccc2Cl)c(=O)[n-]1 ZINC000021864664 818749189 /nfs/dbraw/zinc/74/91/89/818749189.db2.gz QMBHUNRTSXIKLQ-UHFFFAOYSA-N -1 3 397.862 4.404 20 0 GIADHM Cc1ncc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)s1 ZINC000410005278 823369132 /nfs/dbraw/zinc/36/91/32/823369132.db2.gz WHRRDAPDDVRMFK-UHFFFAOYSA-N -1 3 399.270 4.124 20 0 GIADHM Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023346355 818925508 /nfs/dbraw/zinc/92/55/08/818925508.db2.gz VALKJJRKILGLQQ-UHFFFAOYSA-N -1 3 393.262 4.096 20 0 GIADHM Cc1c([O-])ccc2c(CSc3nnc4sc5ccccc5n34)cc(=O)oc12 ZINC000023524045 818954829 /nfs/dbraw/zinc/95/48/29/818954829.db2.gz CEYMQXLNMJSMOB-UHFFFAOYSA-N -1 3 395.465 4.357 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3[nH]c4ccccc4c3Cl)c2)n1 ZINC000058381119 823384260 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O=C(CCOCC(F)F)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000189660736 823469738 /nfs/dbraw/zinc/46/97/38/823469738.db2.gz KMWMFKQGUDYYDI-UHFFFAOYSA-N -1 3 378.400 4.279 20 0 GIADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000028752675 820355434 /nfs/dbraw/zinc/35/54/34/820355434.db2.gz MXJCBZUKMKKGLI-IUCAKERBSA-N -1 3 389.666 4.398 20 0 GIADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752687 820355453 /nfs/dbraw/zinc/35/54/53/820355453.db2.gz WGTOWCSGTNOZGZ-GFCCVEGCSA-N -1 3 383.275 4.304 20 0 GIADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4ccc(C)cc4)n3)n[nH]2)cc1 ZINC000028855838 820364083 /nfs/dbraw/zinc/36/40/83/820364083.db2.gz XZQRQMCVLRIUHQ-UHFFFAOYSA-N -1 3 375.457 4.464 20 0 GIADHM CC(=O)c1csc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000189747759 823486934 /nfs/dbraw/zinc/48/69/34/823486934.db2.gz MVBJEFKZBPADHJ-UHFFFAOYSA-N -1 3 377.878 4.299 20 0 GIADHM CN(Cc1ccc(Br)o1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000030215859 820587736 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CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1 ZINC000032097778 820897411 /nfs/dbraw/zinc/89/74/11/820897411.db2.gz UTSWCFDYJAHWAM-GFCCVEGCSA-N -1 3 376.453 4.025 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1 ZINC000060271477 823514065 /nfs/dbraw/zinc/51/40/65/823514065.db2.gz FYHYUQXTKRHAOB-UHFFFAOYSA-N -1 3 395.286 4.365 20 0 GIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C ZINC000032585950 820973000 /nfs/dbraw/zinc/97/30/00/820973000.db2.gz WGKNNXRWSARKDT-UHFFFAOYSA-N -1 3 375.368 4.093 20 0 GIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C ZINC000032588496 820973007 /nfs/dbraw/zinc/97/30/07/820973007.db2.gz VSBJZBFFUMSBAY-UHFFFAOYSA-N -1 3 389.473 4.236 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1 ZINC000032596828 820975127 /nfs/dbraw/zinc/97/51/27/820975127.db2.gz IJMYOHOWRWSABM-UHFFFAOYSA-N -1 3 387.432 4.214 20 0 GIADHM O=C([N-]NC(=O)c1cc2c(s1)CCCCC2)c1cc(Cl)ccc1Cl ZINC000036625174 821072594 /nfs/dbraw/zinc/07/25/94/821072594.db2.gz OTCRGANBBIOYNT-UHFFFAOYSA-N -1 3 383.300 4.399 20 0 GIADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3cccnc32)c(Br)c1 ZINC000461106095 823578401 /nfs/dbraw/zinc/57/84/01/823578401.db2.gz GIUCSNMNNQCZQP-UHFFFAOYSA-N -1 3 391.290 4.415 20 0 GIADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)c1nnnn1-c1ccccc1 ZINC000041575076 821212555 /nfs/dbraw/zinc/21/25/55/821212555.db2.gz AEYDHAIWQBOUBM-LLVKDONJSA-N -1 3 399.480 4.250 20 0 GIADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1sccc1Br ZINC000042215619 821286180 /nfs/dbraw/zinc/28/61/80/821286180.db2.gz SOWHTOSENMCKRY-UHFFFAOYSA-N -1 3 380.292 4.205 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3cccc(C)c3C)c2)n1 ZINC000044197233 821544291 /nfs/dbraw/zinc/54/42/91/821544291.db2.gz RDINMLFUWUXZPT-UHFFFAOYSA-N -1 3 378.501 4.425 20 0 GIADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(CSc3nccn3C)o2)s1 ZINC000044647957 821636720 /nfs/dbraw/zinc/63/67/20/821636720.db2.gz VTJGAOFCIDAFFI-UHFFFAOYSA-N -1 3 391.522 4.313 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c(C)c1F ZINC000181155514 821667705 /nfs/dbraw/zinc/66/77/05/821667705.db2.gz ZNVHGVVJIQLWCG-UHFFFAOYSA-N -1 3 390.436 4.215 20 0 GIADHM CSc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccn1 ZINC000181419712 821816858 /nfs/dbraw/zinc/81/68/58/821816858.db2.gz KIPJQAPYZBIEIH-CYBMUJFWSA-N -1 3 380.256 4.071 20 0 GIADHM Cc1ccc(F)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000181768377 821984692 /nfs/dbraw/zinc/98/46/92/821984692.db2.gz HSPQKEOCPBRXOH-NRFANRHFSA-N -1 3 392.430 4.340 20 0 GIADHM Clc1ccc(OCc2nc(C[N-]c3nnc([C@H]4CCCO4)o3)cs2)cc1 ZINC000181792060 821994048 /nfs/dbraw/zinc/99/40/48/821994048.db2.gz RLARJVZDUIDHPL-CQSZACIVSA-N -1 3 392.868 4.222 20 0 GIADHM CCOCc1nnc([N-]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)o1 ZINC000181843221 822014598 /nfs/dbraw/zinc/01/45/98/822014598.db2.gz MMUBTDCRCVYVJL-UHFFFAOYSA-N -1 3 384.383 4.361 20 0 GIADHM CCCc1c(NC(=O)c2c[n-]c3ccccc3c2=O)cnn1-c1cccc(F)c1 ZINC000182165464 822126129 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GIADHM COc1ccc(-c2nc(NC(=O)c3c[n-]c4ccccc4c3=O)sc2C)cc1 ZINC000046017016 822435077 /nfs/dbraw/zinc/43/50/77/822435077.db2.gz TUGVQMLTRPHXPA-UHFFFAOYSA-N -1 3 391.452 4.221 20 0 GIADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1occc1-c1ccc(F)cc1 ZINC000183269954 822451458 /nfs/dbraw/zinc/45/14/58/822451458.db2.gz OXFKIHQNGNCMNQ-UHFFFAOYSA-N -1 3 380.354 4.186 20 0 GIADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(C2CCCCC2)n1 ZINC000046240728 822453615 /nfs/dbraw/zinc/45/36/15/822453615.db2.gz YVYWXEGEZUPIQR-UHFFFAOYSA-N -1 3 399.516 4.044 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3cccc(F)c3)cc2)cc1 ZINC000046462768 822475710 /nfs/dbraw/zinc/47/57/10/822475710.db2.gz XCZBQCVQNVOIQD-UHFFFAOYSA-N -1 3 398.459 4.116 20 0 GIADHM COCCCN(Cc1ccncc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179553178 822502239 /nfs/dbraw/zinc/50/22/39/822502239.db2.gz LIVKGAXBXRYJIR-UHFFFAOYSA-N -1 3 392.455 4.258 20 0 GIADHM O=S(=O)([N-]c1cccc(COc2cccc(F)c2)c1)c1ccc2c(c1)CCO2 ZINC000046698391 822506894 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O=C(CCOC1CCOCC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179933187 822579780 /nfs/dbraw/zinc/57/97/80/822579780.db2.gz MPXALANJMYYKCV-UHFFFAOYSA-N -1 3 398.484 4.193 20 0 GIADHM O=C(Nc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1)N1CCCC1 ZINC000047521335 822586641 /nfs/dbraw/zinc/58/66/41/822586641.db2.gz PHXCIGAWOZHKOF-UHFFFAOYSA-N -1 3 397.500 4.043 20 0 GIADHM C[C@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000184176360 822591227 /nfs/dbraw/zinc/59/12/27/822591227.db2.gz VZUVZYPQSMIFLH-NHAQELONSA-N -1 3 395.912 4.422 20 0 GIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(F)(F)F)cc3Cl)nc21 ZINC000180257412 822649450 /nfs/dbraw/zinc/64/94/50/822649450.db2.gz GNKRJYIKTWSBJC-UHFFFAOYSA-N -1 3 397.740 4.274 20 0 GIADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180362475 822670463 /nfs/dbraw/zinc/67/04/63/822670463.db2.gz RKZOWHNDWDXGSS-UHFFFAOYSA-N -1 3 394.226 4.318 20 0 GIADHM O=C(CCc1ccccc1Br)Nc1ccc(Br)cc1[O-] ZINC000048576591 822673441 /nfs/dbraw/zinc/67/34/41/822673441.db2.gz IFQTXWNSDBYKRF-UHFFFAOYSA-N -1 3 399.082 4.489 20 0 GIADHM CCc1ccc(CCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000049302309 822697507 /nfs/dbraw/zinc/69/75/07/822697507.db2.gz DYJXJSOCLQIGEI-UHFFFAOYSA-N -1 3 375.472 4.133 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1 ZINC000049302066 822697561 /nfs/dbraw/zinc/69/75/61/822697561.db2.gz LVENHHYKPOPIFN-UHFFFAOYSA-N -1 3 387.361 4.270 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3cccc(C)c3C)c2)n1 ZINC000049304735 822698058 /nfs/dbraw/zinc/69/80/58/822698058.db2.gz VYWHAUKLDKCQQL-UHFFFAOYSA-N -1 3 391.471 4.024 20 0 GIADHM COc1cccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1[O-] ZINC000184853023 822700691 /nfs/dbraw/zinc/70/06/91/822700691.db2.gz UCSPKTRIJIMTQM-UHFFFAOYSA-N -1 3 375.384 4.092 20 0 GIADHM COc1ccc(Nc2nc(C(=O)[N-]c3ncn(C4CCCCC4)n3)cs2)cc1 ZINC000184912907 822712205 /nfs/dbraw/zinc/71/22/05/822712205.db2.gz HGDPJJIBFOREPB-UHFFFAOYSA-N -1 3 398.492 4.244 20 0 GIADHM C[C@H](N[C@@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(F)cc1[O-] ZINC000185180178 822746133 /nfs/dbraw/zinc/74/61/33/822746133.db2.gz HTUHLDJKHKCSON-QWRGUYRKSA-N -1 3 396.256 4.477 20 0 GIADHM Cc1c([O-])ccc2c(CN[C@@H](C)c3nc(C4CCCCC4)no3)cc(=O)oc12 ZINC000185244974 822754050 /nfs/dbraw/zinc/75/40/50/822754050.db2.gz AUMWSRAHRRQLKP-ZDUSSCGKSA-N -1 3 383.448 4.089 20 0 GIADHM Cc1cccc2nc(CN[C@@H](C)c3cc(Br)cc(F)c3[O-])cn21 ZINC000185412553 822780460 /nfs/dbraw/zinc/78/04/60/822780460.db2.gz BJVFAOSCEDJVSL-NSHDSACASA-N -1 3 378.245 4.101 20 0 GIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc4ccccc4n3C)nc(=O)c2c1C ZINC000052243556 822794099 /nfs/dbraw/zinc/79/40/99/822794099.db2.gz BXTBBOLVTGYDRJ-NSHDSACASA-N -1 3 381.457 4.011 20 0 GIADHM O=C(Cc1ccc(NCc2cc([O-])cc(F)c2)cc1)N1CCc2ccccc21 ZINC000185594440 822800298 /nfs/dbraw/zinc/80/02/98/822800298.db2.gz FVLGRSNZIVOMBB-UHFFFAOYSA-N -1 3 376.431 4.275 20 0 GIADHM Cc1ccc(-c2cc(C(=O)OCc3ccccc3NC(=O)c3ccco3)n[n-]2)o1 ZINC000174662485 822820312 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O=c1nc(CN2Cc3ccccc3C3(CC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000186180452 822858511 /nfs/dbraw/zinc/85/85/11/822858511.db2.gz ZZMNYRWXAZDTFR-UHFFFAOYSA-N -1 3 389.480 4.292 20 0 GIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000174971310 822862889 /nfs/dbraw/zinc/86/28/89/822862889.db2.gz RSGIFFWXIWGWRA-UHFFFAOYSA-N -1 3 375.519 4.087 20 0 GIADHM Cn1cccc1[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000175124998 822887396 /nfs/dbraw/zinc/88/73/96/822887396.db2.gz NFENETLJPSXOQR-INIZCTEOSA-N -1 3 394.500 4.310 20 0 GIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(C)c2C)c1 ZINC000186415031 822890924 /nfs/dbraw/zinc/89/09/24/822890924.db2.gz VCOJHMCUYSDZTQ-AWEZNQCLSA-N -1 3 393.443 4.049 20 0 GIADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000569373874 822913075 /nfs/dbraw/zinc/91/30/75/822913075.db2.gz ONTMBRSSWPURNR-SFHVURJKSA-N -1 3 382.876 4.382 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c1 ZINC000055159744 822942605 /nfs/dbraw/zinc/94/26/05/822942605.db2.gz GGYWRSHVZNBDCY-UHFFFAOYSA-N -1 3 380.488 4.144 20 0 GIADHM Cc1csc([C@@H](C)CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)n1 ZINC000186791791 822955982 /nfs/dbraw/zinc/95/59/82/822955982.db2.gz UDAWOIOAPLWCIC-LURJTMIESA-N -1 3 394.715 4.237 20 0 GIADHM O=S(=O)([N-]Cc1ccc(-c2ccncc2)cc1)c1cc(F)ccc1Cl ZINC000569859815 822977533 /nfs/dbraw/zinc/97/75/33/822977533.db2.gz LIJZKBYUTUTMFX-UHFFFAOYSA-N -1 3 376.840 4.020 20 0 GIADHM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1Cl ZINC000055574098 822981499 /nfs/dbraw/zinc/98/14/99/822981499.db2.gz PUJHQDKQIBNYTB-UHFFFAOYSA-N -1 3 379.696 4.158 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)cc1 ZINC000569918489 822985805 /nfs/dbraw/zinc/98/58/05/822985805.db2.gz HTWXXKFEWXPYEV-BRWVUGGUSA-N -1 3 384.501 4.171 20 0 GIADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@H](c3nncn3C(C)C)C2)c1C ZINC000569977114 822992324 /nfs/dbraw/zinc/99/23/24/822992324.db2.gz GXFIXDDBRLBRDD-INIZCTEOSA-N -1 3 393.491 4.106 20 0 GIADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000055676963 822997206 /nfs/dbraw/zinc/99/72/06/822997206.db2.gz IEUXVLQBIRWLJO-UHFFFAOYSA-N -1 3 392.786 4.118 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC(C)(C)C)cc3)c2)n1 ZINC000175625468 823009018 /nfs/dbraw/zinc/00/90/18/823009018.db2.gz GOHSXRRFLPOOBU-UHFFFAOYSA-N -1 3 391.471 4.429 20 0 GIADHM Cc1cc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000175667965 823016505 /nfs/dbraw/zinc/01/65/05/823016505.db2.gz VAFZKQKDORYMFO-UHFFFAOYSA-N -1 3 384.457 4.258 20 0 GIADHM COc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(F)c1 ZINC000570402120 823033072 /nfs/dbraw/zinc/03/30/72/823033072.db2.gz MFZDQFXBHSTRCX-UHFFFAOYSA-N -1 3 392.858 4.044 20 0 GIADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570476022 823043069 /nfs/dbraw/zinc/04/30/69/823043069.db2.gz VIOMQIKWUSPGAW-QWHCGFSZSA-N -1 3 391.309 4.237 20 0 GIADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570476021 823043259 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[O-]c1cccc(CNCc2cccc(OCC(F)(F)F)c2)c1Br ZINC000459380471 823177949 /nfs/dbraw/zinc/17/79/49/823177949.db2.gz SXLLZGKLSPTWKN-UHFFFAOYSA-N -1 3 390.199 4.386 20 0 GIADHM CCc1nc2cc(CNC(=O)CCCc3ccc([O-])c(F)c3)ccc2n1C1CC1 ZINC000571504087 823193463 /nfs/dbraw/zinc/19/34/63/823193463.db2.gz RJZNMSFALUYRTR-UHFFFAOYSA-N -1 3 395.478 4.417 20 0 GIADHM CC(C)(C)NC(=O)c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459511613 823208083 /nfs/dbraw/zinc/20/80/83/823208083.db2.gz MJJUFKHXFVPXRX-UHFFFAOYSA-N -1 3 377.282 4.295 20 0 GIADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176439808 823208200 /nfs/dbraw/zinc/20/82/00/823208200.db2.gz IHKQJGCRUGCMLF-UHFFFAOYSA-N -1 3 375.144 4.129 20 0 GIADHM CCCc1nc(C(=O)[N-]c2c(F)cccc2F)nn1-c1ccccc1Cl ZINC000121637910 823220323 /nfs/dbraw/zinc/22/03/23/823220323.db2.gz OIGUAGDOYTVMOB-UHFFFAOYSA-N -1 3 376.794 4.404 20 0 GIADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)s1 ZINC000176486700 823219082 /nfs/dbraw/zinc/21/90/82/823219082.db2.gz 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C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000005061153 817548626 /nfs/dbraw/zinc/54/86/26/817548626.db2.gz UBZRLSAGTWAUFS-GHMZBOCLSA-N -1 3 382.243 4.122 20 0 GIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)CCCC4)nc(=O)c2c1C ZINC000005185468 817558149 /nfs/dbraw/zinc/55/81/49/817558149.db2.gz OPJNBGHHYORLRC-GFCCVEGCSA-N -1 3 382.485 4.398 20 0 GIADHM CCc1sc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1C ZINC000005354894 817575643 /nfs/dbraw/zinc/57/56/43/817575643.db2.gz ZOWVFFMGSXWRFI-SNVBAGLBSA-N -1 3 376.503 4.452 20 0 GIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)C(C)(F)F)cc1 ZINC000460011106 823278342 /nfs/dbraw/zinc/27/83/42/823278342.db2.gz OGJBVOGQQIMLJI-CQSZACIVSA-N -1 3 396.459 4.334 20 0 GIADHM CCc1cc2c(CSc3nnc(NCC(C)C)s3)cc(=O)oc2cc1[O-] ZINC000007268334 817808400 /nfs/dbraw/zinc/80/84/00/817808400.db2.gz APOVLFHAODRPFH-UHFFFAOYSA-N -1 3 391.518 4.273 20 0 GIADHM O=S(=O)([N-]CCc1ccccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000008166910 818010513 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Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)cc1 ZINC000015412010 818322579 /nfs/dbraw/zinc/32/25/79/818322579.db2.gz XGOIJDQPOGEROY-UHFFFAOYSA-N -1 3 398.459 4.496 20 0 GIADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 ZINC000015557324 818338397 /nfs/dbraw/zinc/33/83/97/818338397.db2.gz GGVURVPLVKTBAW-SNVBAGLBSA-N -1 3 394.949 4.323 20 0 GIADHM CCOc1ccc(NC(=S)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000016308755 818420510 /nfs/dbraw/zinc/42/05/10/818420510.db2.gz CFOOBABLASJWOM-UHFFFAOYSA-N -1 3 384.288 4.024 20 0 GIADHM CCOCCCNC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000016314308 818422011 /nfs/dbraw/zinc/42/20/11/818422011.db2.gz FNOLCZXBSSQMSB-UHFFFAOYSA-N -1 3 387.530 4.382 20 0 GIADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000176980749 823341586 /nfs/dbraw/zinc/34/15/86/823341586.db2.gz LGRCMSAFEYCQRY-UHFFFAOYSA-N -1 3 381.457 4.267 20 0 GIADHM O=C(COC(=O)c1ccc([O-])cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000020821084 818632647 /nfs/dbraw/zinc/63/26/47/818632647.db2.gz ZUVXTLOXMWGYOH-OAQYLSRUSA-N -1 3 395.842 4.108 20 0 GIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000122439997 823354446 /nfs/dbraw/zinc/35/44/46/823354446.db2.gz CJHBYEIZDXKKAC-UHFFFAOYSA-N -1 3 386.214 4.037 20 0 GIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C)ccn3)c2)cc1 ZINC000021877358 818750841 /nfs/dbraw/zinc/75/08/41/818750841.db2.gz KWFHVEAFBQERMU-UHFFFAOYSA-N -1 3 395.484 4.060 20 0 GIADHM COc1cc(C(=O)Nc2ncccc2[O-])ccc1OCc1ccccc1Cl ZINC000022263318 818787583 /nfs/dbraw/zinc/78/75/83/818787583.db2.gz SNYUTZPJIWVABQ-UHFFFAOYSA-N -1 3 384.819 4.281 20 0 GIADHM Cc1ccc(NC(=O)CC2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000022743861 818854979 /nfs/dbraw/zinc/85/49/79/818854979.db2.gz BQYWCCFJTSFJMX-UHFFFAOYSA-N -1 3 390.480 4.454 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(Br)c1 ZINC000023055713 818894017 /nfs/dbraw/zinc/89/40/17/818894017.db2.gz WHOGTOCEYGCDDX-UHFFFAOYSA-N -1 3 378.650 4.351 20 0 GIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)c1ccc(Br)cc1 ZINC000023346193 818925492 /nfs/dbraw/zinc/92/54/92/818925492.db2.gz VSVCKSIIZKQGSD-VIFPVBQESA-N -1 3 378.247 4.420 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)c3cccc(OC)c3)c2)n1 ZINC000177144452 823382059 /nfs/dbraw/zinc/38/20/59/823382059.db2.gz JLEYBIYULGIAPX-HNNXBMFYSA-N -1 3 391.471 4.140 20 0 GIADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1[C@@H](C)c1ccccc1 ZINC000122618478 823382512 /nfs/dbraw/zinc/38/25/12/823382512.db2.gz NKLLGIVUHHFDFW-HNNXBMFYSA-N -1 3 386.459 4.147 20 0 GIADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)n1[C@@H](C)c1ccccc1 ZINC000122618478 823382521 /nfs/dbraw/zinc/38/25/21/823382521.db2.gz NKLLGIVUHHFDFW-HNNXBMFYSA-N -1 3 386.459 4.147 20 0 GIADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000122678732 823392837 /nfs/dbraw/zinc/39/28/37/823392837.db2.gz PLNDKRXOMCVTCW-UHFFFAOYSA-N -1 3 388.823 4.158 20 0 GIADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H](C)c1ccccc1 ZINC000177172559 823390451 /nfs/dbraw/zinc/39/04/51/823390451.db2.gz NCFRIQXDBYITQS-QWHCGFSZSA-N -1 3 399.288 4.213 20 0 GIADHM COc1ccc(-c2cc3[n-]c(CN(C)[C@@H](C)C4(C)CC4)nc(=O)c3s2)cc1 ZINC000177225203 823404209 /nfs/dbraw/zinc/40/42/09/823404209.db2.gz XXCYOQPZJOKCNR-ZDUSSCGKSA-N -1 3 383.517 4.281 20 0 GIADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000122921442 823434219 /nfs/dbraw/zinc/43/42/19/823434219.db2.gz RQTHLCQBRILGDP-LJQANCHMSA-N -1 3 387.382 4.294 20 0 GIADHM CCCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000025347233 819967868 /nfs/dbraw/zinc/96/78/68/819967868.db2.gz WQNANPSXMXDKPM-OAHLLOKOSA-N -1 3 392.496 4.325 20 0 GIADHM O=c1nc(CSc2ncc3ccccn32)[n-]c2scc(-c3ccco3)c21 ZINC000026092767 820056626 /nfs/dbraw/zinc/05/66/26/820056626.db2.gz UXHZMPVAWUBVOT-UHFFFAOYSA-N -1 3 380.454 4.185 20 0 GIADHM O=c1nc(CN2CCC[C@@H](C(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000026228794 820071803 /nfs/dbraw/zinc/07/18/03/820071803.db2.gz ZHTFXCGCUHYTES-SNVBAGLBSA-N -1 3 383.395 4.019 20 0 GIADHM Cc1ccc(CN(CCc2ccccc2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000573134544 823452408 /nfs/dbraw/zinc/45/24/08/823452408.db2.gz MROCCZTXPNFEOR-UHFFFAOYSA-N -1 3 393.512 4.315 20 0 GIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000189592524 823453897 /nfs/dbraw/zinc/45/38/97/823453897.db2.gz FTZXJSVFNPEQRK-IBGZPJMESA-N -1 3 377.444 4.124 20 0 GIADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000573146437 823455327 /nfs/dbraw/zinc/45/53/27/823455327.db2.gz DRFGQJANSSMJCZ-UHFFFAOYSA-N -1 3 375.874 4.401 20 0 GIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC000123168962 823473359 /nfs/dbraw/zinc/47/33/59/823473359.db2.gz IXGWXVZJAWYOMT-RPAADVPWSA-N -1 3 378.472 4.449 20 0 GIADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2sc3ccccc3c2Cl)cc1 ZINC000029008543 820382993 /nfs/dbraw/zinc/38/29/93/820382993.db2.gz OSCSTGRXXUMAPB-UHFFFAOYSA-N -1 3 395.889 4.283 20 0 GIADHM CN(CCOc1ccccc1Cl)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000029154612 820401512 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Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C)CSc3ccc(F)cc3)c2)n1 ZINC000121612249 823215960 /nfs/dbraw/zinc/21/59/60/823215960.db2.gz RYTYLYQGKHQQQJ-ZDUSSCGKSA-N -1 3 398.459 4.218 20 0 GIADHM CSc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000176496496 823221229 /nfs/dbraw/zinc/22/12/29/823221229.db2.gz NRRVPQNSDMVUSL-OAHLLOKOSA-N -1 3 390.892 4.011 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc(C)nc3CC(C)C)c2)n1 ZINC000121729310 823238609 /nfs/dbraw/zinc/23/86/09/823238609.db2.gz IQGXECHTIQHYGK-UHFFFAOYSA-N -1 3 396.516 4.215 20 0 GIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)c(C)c1 ZINC000057120356 823250907 /nfs/dbraw/zinc/25/09/07/823250907.db2.gz KVSVVWRORDXZLY-UHFFFAOYSA-N -1 3 386.473 4.385 20 0 GIADHM C[C@H](Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccccc1 ZINC000409579739 823253935 /nfs/dbraw/zinc/25/39/35/823253935.db2.gz XMQPGMJSBCBGGF-HNNXBMFYSA-N -1 3 385.427 4.259 20 0 GIADHM C[C@H](Oc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccc1 ZINC000409579739 823253941 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CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000006910649 817724023 /nfs/dbraw/zinc/72/40/23/817724023.db2.gz CCAUHCUQPKCHQU-FPYGCLRLSA-N -1 3 387.863 4.177 20 0 GIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188678901 823285055 /nfs/dbraw/zinc/28/50/55/823285055.db2.gz ZTXRHLAOQXJRMK-UHFFFAOYSA-N -1 3 398.694 4.166 20 0 GIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188678901 823285058 /nfs/dbraw/zinc/28/50/58/823285058.db2.gz ZTXRHLAOQXJRMK-UHFFFAOYSA-N -1 3 398.694 4.166 20 0 GIADHM Cc1sc2[n-]c([C@H](C)OC(=O)CCn3ccc4ccccc43)nc(=O)c2c1C ZINC000007138876 817770131 /nfs/dbraw/zinc/77/01/31/817770131.db2.gz MYVKHZJYWNNMDD-ZDUSSCGKSA-N -1 3 395.484 4.251 20 0 GIADHM CCc1cc2c(CSc3nnc(-c4ccoc4C)o3)cc(=O)oc2cc1[O-] ZINC000007195472 817788799 /nfs/dbraw/zinc/78/87/99/817788799.db2.gz ZURWQDUZTCGPJH-UHFFFAOYSA-N -1 3 384.413 4.305 20 0 GIADHM CCOc1ccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1OCC ZINC000007243152 817802863 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COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000188895362 823324314 /nfs/dbraw/zinc/32/43/14/823324314.db2.gz OJIIWLQXLLADSV-NSHDSACASA-N -1 3 390.288 4.208 20 0 GIADHM Cc1ccc(OC[C@@H](O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000015232657 818301158 /nfs/dbraw/zinc/30/11/58/818301158.db2.gz IALYFVHBDHRLDY-CYBMUJFWSA-N -1 3 391.493 4.261 20 0 GIADHM O=S(=O)([N-]c1ccc(OC2CCCC2)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000409870040 823331395 /nfs/dbraw/zinc/33/13/95/823331395.db2.gz LWSLYMQVLFYCRG-UHFFFAOYSA-N -1 3 393.892 4.397 20 0 GIADHM CCn1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c2ccccc21 ZINC000016402821 818436795 /nfs/dbraw/zinc/43/67/95/818436795.db2.gz KTIPZLCAICTJFJ-GFCCVEGCSA-N -1 3 395.484 4.494 20 0 GIADHM Cc1cccc2c(=O)[nH]c(CSc3nnc([N-]c4ccccc4F)s3)nc12 ZINC000018245008 818561398 /nfs/dbraw/zinc/56/13/98/818561398.db2.gz LVKROPADZVSAKH-UHFFFAOYSA-N -1 3 399.476 4.258 20 0 GIADHM CCN(CCOc1ccccc1C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000572499157 823349986 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COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1OC ZINC000026542225 820111188 /nfs/dbraw/zinc/11/11/88/820111188.db2.gz HSQDZJAWRRLAHO-UHFFFAOYSA-N -1 3 391.489 4.134 20 0 GIADHM C[S@@](=O)Cc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000177414589 823456781 /nfs/dbraw/zinc/45/67/81/823456781.db2.gz KHKMFVPFOFZVKL-HHHXNRCGSA-N -1 3 381.453 4.315 20 0 GIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000177414533 823456913 /nfs/dbraw/zinc/45/69/13/823456913.db2.gz PAWHZYUPJUBZMT-FQEVSTJZSA-N -1 3 390.439 4.011 20 0 GIADHM CC[C@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000027338847 820226951 /nfs/dbraw/zinc/22/69/51/820226951.db2.gz GAKRWBDHRJAYJM-KRWDZBQOSA-N -1 3 388.533 4.249 20 0 GIADHM Cc1cc(C)[n-]c(=NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1 ZINC000029605082 820483355 /nfs/dbraw/zinc/48/33/55/820483355.db2.gz QNXOIKYKRNINJK-UHFFFAOYSA-N -1 3 391.456 4.234 20 0 GIADHM COc1ccc([C@H](C)N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000030006183 820567412 /nfs/dbraw/zinc/56/74/12/820567412.db2.gz ABVRLWUKPMVNTR-ZDUSSCGKSA-N -1 3 395.484 4.446 20 0 GIADHM COc1ccc([C@@H](C)N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000030006181 820567724 /nfs/dbraw/zinc/56/77/24/820567724.db2.gz ABVRLWUKPMVNTR-CYBMUJFWSA-N -1 3 395.484 4.446 20 0 GIADHM Cc1ccc2oc(C(=O)[N-]c3nnc(Cc4ccc(Cl)cc4)s3)cc2n1 ZINC000189811098 823499827 /nfs/dbraw/zinc/49/98/27/823499827.db2.gz HFMPQOCRBMGURK-UHFFFAOYSA-N -1 3 384.848 4.484 20 0 GIADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1F ZINC000031072756 820734303 /nfs/dbraw/zinc/73/43/03/820734303.db2.gz NHAKJLQOGSUKDC-SSDOTTSWSA-N -1 3 384.281 4.242 20 0 GIADHM C[C@H](N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)(C)C ZINC000031407569 820806604 /nfs/dbraw/zinc/80/66/04/820806604.db2.gz GCMVMELDSDFNHQ-AWEZNQCLSA-N -1 3 392.496 4.133 20 0 GIADHM O=S(=O)([N-][C@@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1F ZINC000032435963 820943263 /nfs/dbraw/zinc/94/32/63/820943263.db2.gz CTCXVAVTCWQFOK-GFCCVEGCSA-N -1 3 375.849 4.134 20 0 GIADHM CCOc1ccc([C@H](N/C=C2/C(=O)[N-]C(=O)c3ccccc32)c2ccccc2)cc1 ZINC000032584962 820972463 /nfs/dbraw/zinc/97/24/63/820972463.db2.gz KDOBAOKLUIYWDK-PLJYQOKSSA-N -1 3 398.462 4.075 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1C ZINC000032589344 820973844 /nfs/dbraw/zinc/97/38/44/820973844.db2.gz NVRWXZILKKIKSC-UHFFFAOYSA-N -1 3 389.473 4.236 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631252 820980991 /nfs/dbraw/zinc/98/09/91/820980991.db2.gz WJGIAVYXYYHBKG-OAQYLSRUSA-N -1 3 378.453 4.151 20 0 GIADHM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000032936264 821020290 /nfs/dbraw/zinc/02/02/90/821020290.db2.gz SRLMJOKXXQMMPO-UHFFFAOYSA-N -1 3 398.422 4.424 20 0 GIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc(C)c1F ZINC000460825105 823523056 /nfs/dbraw/zinc/52/30/56/823523056.db2.gz VBOQHIJJNHXSJD-UHFFFAOYSA-N -1 3 386.448 4.217 20 0 GIADHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1Br ZINC000460833559 823525101 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CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(O)cc1[O-] ZINC000182162780 822125458 /nfs/dbraw/zinc/12/54/58/822125458.db2.gz MFRORIWKUMRFIJ-UHFFFAOYSA-N -1 3 397.450 4.112 20 0 GIADHM c1csc(-c2nc(C[N-]c3nnc([C@H]4COc5ccccc5O4)o3)cs2)c1 ZINC000182209791 822148371 /nfs/dbraw/zinc/14/83/71/822148371.db2.gz GKBXMSQGHDNNIG-CQSZACIVSA-N -1 3 398.469 4.379 20 0 GIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(F)c(F)cc1Cl ZINC000178145273 822332285 /nfs/dbraw/zinc/33/22/85/822332285.db2.gz LBVUGELXVAHTNH-UHFFFAOYSA-N -1 3 383.185 4.164 20 0 GIADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000178237698 822357396 /nfs/dbraw/zinc/35/73/96/822357396.db2.gz GVHMQJTYJMGOJT-YVMONPNESA-N -1 3 384.667 4.061 20 0 GIADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000178237698 822357399 /nfs/dbraw/zinc/35/73/99/822357399.db2.gz GVHMQJTYJMGOJT-YVMONPNESA-N -1 3 384.667 4.061 20 0 GIADHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cccc(Cl)n1 ZINC000182723060 822357923 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GIADHM COCc1c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)sc2cccc(F)c21 ZINC000054114040 822862748 /nfs/dbraw/zinc/86/27/48/822862748.db2.gz MGHQYAYQMRCQIV-UHFFFAOYSA-N -1 3 396.447 4.079 20 0 GIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000175093745 822881210 /nfs/dbraw/zinc/88/12/10/822881210.db2.gz JJMNFBOOHQUJNG-CYBMUJFWSA-N -1 3 394.500 4.226 20 0 GIADHM Cc1nc2c(s1)[C@@H](N(C)CCOc1ccc(C(=O)[O-])cc1Cl)CCC2 ZINC000569130524 822882417 /nfs/dbraw/zinc/88/24/17/822882417.db2.gz WDMQSQRIJYSOSV-HNNXBMFYSA-N -1 3 380.897 4.191 20 0 GIADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000186723544 822944850 /nfs/dbraw/zinc/94/48/50/822944850.db2.gz HIRGFJGTUZDWGD-QMMMGPOBSA-N -1 3 398.859 4.206 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4cc(C)cc(C)c4)CC3)c2)n1 ZINC000055408104 822958308 /nfs/dbraw/zinc/95/83/08/822958308.db2.gz KHQCOMXPIBUORT-UHFFFAOYSA-N -1 3 387.483 4.286 20 0 GIADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC(C)(C)C1 ZINC000458177726 822965632 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O=C([N-]c1cc(Br)c(F)cc1F)c1nc(Br)cs1 ZINC000190237766 823554329 /nfs/dbraw/zinc/55/43/29/823554329.db2.gz ZLAUDTSIZQOXGQ-UHFFFAOYSA-N -1 3 398.026 4.199 20 0 GIADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000123963719 823555939 /nfs/dbraw/zinc/55/59/39/823555939.db2.gz CVBQQVWQXZDQDU-MRXNPFEDSA-N -1 3 396.896 4.145 20 0 GIADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124042544 823562399 /nfs/dbraw/zinc/56/23/99/823562399.db2.gz RHYXLDGFFSLRDG-UHFFFAOYSA-N -1 3 387.288 4.451 20 0 GIADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000060952140 823568995 /nfs/dbraw/zinc/56/89/95/823568995.db2.gz XDFIIFLZGALHCX-UHFFFAOYSA-N -1 3 390.439 4.027 20 0 GIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnn(CC(C)C)c2C(F)F)c(F)c1F ZINC000461106572 823578602 /nfs/dbraw/zinc/57/86/02/823578602.db2.gz HFQQJMIKAOHXHJ-UHFFFAOYSA-N -1 3 389.324 4.349 20 0 GIADHM CCCCOc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)c([O-])c1 ZINC000190599699 823590022 /nfs/dbraw/zinc/59/00/22/823590022.db2.gz 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Cn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1cccc(Cl)c1 ZINC000124942506 823639136 /nfs/dbraw/zinc/63/91/36/823639136.db2.gz AYEVJNBGGWEESH-UHFFFAOYSA-N -1 3 399.863 4.183 20 0 GIADHM CCc1c([N-]C(=O)c2nc(C)sc2Br)onc1C(F)(F)F ZINC000412256310 823640303 /nfs/dbraw/zinc/64/03/03/823640303.db2.gz LVBAQQDFYIFWPP-UHFFFAOYSA-N -1 3 384.177 4.036 20 0 GIADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1C ZINC000063181238 823654677 /nfs/dbraw/zinc/65/46/77/823654677.db2.gz QLQKKRLJJUWPMZ-UHFFFAOYSA-N -1 3 390.505 4.160 20 0 GIADHM CC[C@H]1Oc2cc([C@@H](C)NCc3c([O-])ccc(Cl)c3F)ccc2NC1=O ZINC000191258853 823664407 /nfs/dbraw/zinc/66/44/07/823664407.db2.gz WCWMJKTWDAWFCH-QLJPJBMISA-N -1 3 378.831 4.145 20 0 GIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000125322219 823667739 /nfs/dbraw/zinc/66/77/39/823667739.db2.gz URVOSBFFHDYQPA-GOSISDBHSA-N -1 3 392.377 4.103 20 0 GIADHM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000412898643 823690310 /nfs/dbraw/zinc/69/03/10/823690310.db2.gz MBGMBLPWJRHSBA-QGZVFWFLSA-N -1 3 393.499 4.215 20 0 GIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000125672619 823695495 /nfs/dbraw/zinc/69/54/95/823695495.db2.gz LKTQWZYPYAYLMD-UHFFFAOYSA-N -1 3 384.679 4.412 20 0 GIADHM CCc1c(NC([O-])=NO[C@@H]2CCCCO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000191598917 823708147 /nfs/dbraw/zinc/70/81/47/823708147.db2.gz LAXCJLTYAVRRGU-MRXNPFEDSA-N -1 3 398.385 4.033 20 0 GIADHM CCc1c(NC(=O)[N-]O[C@@H]2CCCCO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000191598917 823708153 /nfs/dbraw/zinc/70/81/53/823708153.db2.gz LAXCJLTYAVRRGU-MRXNPFEDSA-N -1 3 398.385 4.033 20 0 GIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000163773340 823747028 /nfs/dbraw/zinc/74/70/28/823747028.db2.gz WGMJWBJGHQOCFC-KRWDZBQOSA-N -1 3 399.249 4.121 20 0 GIADHM CCc1c(NC(=O)c2c[n-]c3ccccc3c2=O)cnn1-c1ccccc1Cl ZINC000191793188 823769889 /nfs/dbraw/zinc/76/98/89/823769889.db2.gz NKRNKKFHAUVYQT-UHFFFAOYSA-N -1 3 392.846 4.182 20 0 GIADHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(Br)cc3[O-])cs2)o1 ZINC000126032361 823770219 /nfs/dbraw/zinc/77/02/19/823770219.db2.gz IIGYENABQYEPCT-UHFFFAOYSA-N -1 3 393.262 4.361 20 0 GIADHM COc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(C(F)(F)F)c1 ZINC000574596019 823775128 /nfs/dbraw/zinc/77/51/28/823775128.db2.gz RIKNBCQNJNZJQP-UHFFFAOYSA-N -1 3 379.787 4.309 20 0 GIADHM CC(=CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccc(F)cc1 ZINC000064323065 823792281 /nfs/dbraw/zinc/79/22/81/823792281.db2.gz NTXCIGDEZRMFSC-ZWLSGLHFSA-N -1 3 386.448 4.448 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)n1 ZINC000064342595 823796591 /nfs/dbraw/zinc/79/65/91/823796591.db2.gz DUPKUBDAQFCRGM-UHFFFAOYSA-N -1 3 388.452 4.121 20 0 GIADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[N-]C(=O)c1ccccc1F ZINC000064379648 823805329 /nfs/dbraw/zinc/80/53/29/823805329.db2.gz MDHQMTVXXOMMQB-UHFFFAOYSA-N -1 3 388.442 4.181 20 0 GIADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1-c1ncco1 ZINC000164990781 823828887 /nfs/dbraw/zinc/82/88/87/823828887.db2.gz INWLONGYXWGUSV-UHFFFAOYSA-N -1 3 377.375 4.191 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)C(C)(C)CO4)c2)n1 ZINC000574909872 823859193 /nfs/dbraw/zinc/85/91/93/823859193.db2.gz YSUJSYUEWCEEDK-UHFFFAOYSA-N -1 3 389.455 4.334 20 0 GIADHM CSCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000126418923 823862326 /nfs/dbraw/zinc/86/23/26/823862326.db2.gz KRFJNXAPILZWCQ-UHFFFAOYSA-N -1 3 396.509 4.017 20 0 GIADHM CC(C)[C@H]1N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC12CCOCC2 ZINC000413971852 823881012 /nfs/dbraw/zinc/88/10/12/823881012.db2.gz HZCJNAYFCVJGEE-JOCHJYFZSA-N -1 3 379.500 4.260 20 0 GIADHM COc1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc(OC)c1[O-] ZINC000126507571 823887153 /nfs/dbraw/zinc/88/71/53/823887153.db2.gz GMZUKZYWMKPRPC-LBPRGKRZSA-N -1 3 378.494 4.131 20 0 GIADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000064836457 823897006 /nfs/dbraw/zinc/89/70/06/823897006.db2.gz ZIHDXZBCDOHLCH-UHFFFAOYSA-N -1 3 384.435 4.402 20 0 GIADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000462305310 823918196 /nfs/dbraw/zinc/91/81/96/823918196.db2.gz IMLZIORZKBKFAQ-NVXWUHKLSA-N -1 3 386.300 4.011 20 0 GIADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000462319543 823923162 /nfs/dbraw/zinc/92/31/62/823923162.db2.gz HUXUADSFBQMRTQ-AWEZNQCLSA-N -1 3 379.334 4.362 20 0 GIADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1c(Cl)cccc1Cl ZINC000192266443 823923308 /nfs/dbraw/zinc/92/33/08/823923308.db2.gz SGNZMJFCTTXALK-BBRMVZONSA-N -1 3 386.300 4.050 20 0 GIADHM O=S(=O)([N-]C[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(Cl)c1Cl ZINC000192269433 823924818 /nfs/dbraw/zinc/92/48/18/823924818.db2.gz IQSGZHNPYVXWLN-GUYCJALGSA-N -1 3 386.300 4.050 20 0 GIADHM Cc1nc(NC(=O)c2c[n-]c3ccccc3c2=O)sc1Cc1ccc(C)cc1 ZINC000065074142 823936286 /nfs/dbraw/zinc/93/62/86/823936286.db2.gz KNNAIZOZTBHVOE-UHFFFAOYSA-N -1 3 389.480 4.445 20 0 GIADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2C1 ZINC000462366922 823943467 /nfs/dbraw/zinc/94/34/67/823943467.db2.gz XVERNNMFYSGHII-ZDUSSCGKSA-N -1 3 380.460 4.126 20 0 GIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462379978 823951111 /nfs/dbraw/zinc/95/11/11/823951111.db2.gz JILYFXXMIWSBBZ-INIZCTEOSA-N -1 3 388.533 4.246 20 0 GIADHM Nc1c(Cl)cc(C(=O)Nc2cc(Br)ccc2[O-])cc1Cl ZINC000126838955 823963331 /nfs/dbraw/zinc/96/33/31/823963331.db2.gz BMMBWHNRCUBSQM-UHFFFAOYSA-N -1 3 376.037 4.296 20 0 GIADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)on1 ZINC000462416347 823966393 /nfs/dbraw/zinc/96/63/93/823966393.db2.gz KFOKRUAYOCGSGG-UHFFFAOYSA-N -1 3 394.390 4.215 20 0 GIADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)cc3)n2)c1 ZINC000127079236 824012741 /nfs/dbraw/zinc/01/27/41/824012741.db2.gz VMLUDLONUBXTHQ-QGZVFWFLSA-N -1 3 391.452 4.088 20 0 GIADHM C[C@@H]1c2ccccc2CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000170955161 824016676 /nfs/dbraw/zinc/01/66/76/824016676.db2.gz PXDKHUOPCIVWAK-CYBMUJFWSA-N -1 3 377.469 4.364 20 0 GIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(F)c1 ZINC000016147259 221358786 /nfs/dbraw/zinc/35/87/86/221358786.db2.gz FUOVPSQBDWOQAB-UHFFFAOYSA-N -1 3 378.650 4.351 20 0 GIADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175868068 823059614 /nfs/dbraw/zinc/05/96/14/823059614.db2.gz SRKKWRUBWTVITC-SNVBAGLBSA-N -1 3 398.271 4.083 20 0 GIADHM Cc1nc(C)c(CCC(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000120788346 823064168 /nfs/dbraw/zinc/06/41/68/823064168.db2.gz CCPICUDEICSCKP-GOSISDBHSA-N -1 3 396.409 4.279 20 0 GIADHM C[C@@H]1CC2(CCC2)CN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000570759689 823082322 /nfs/dbraw/zinc/08/23/22/823082322.db2.gz BEUALQVLSOYCGY-UTKZUKDTSA-N -1 3 392.499 4.045 20 0 GIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000056114713 823084947 /nfs/dbraw/zinc/08/49/47/823084947.db2.gz SWJFVKAYPJAMSA-GOSISDBHSA-N -1 3 397.272 4.268 20 0 GIADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000120963270 823094048 /nfs/dbraw/zinc/09/40/48/823094048.db2.gz TYGMUUBINANXLG-UHFFFAOYSA-N -1 3 391.251 4.200 20 0 GIADHM COC(=O)c1cnc(SCc2csc(COc3ccc(Cl)cc3)n2)[n-]1 ZINC000187592871 823094199 /nfs/dbraw/zinc/09/41/99/823094199.db2.gz LDVZGJLJDHMNFZ-UHFFFAOYSA-N -1 3 395.893 4.178 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(Cl)c1 ZINC000570845859 823094977 /nfs/dbraw/zinc/09/49/77/823094977.db2.gz FZWWBEBOEVPQPV-UHFFFAOYSA-N -1 3 394.649 4.051 20 0 GIADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000570875196 823100246 /nfs/dbraw/zinc/10/02/46/823100246.db2.gz LGWLWHOVOZKLOJ-UHFFFAOYSA-N -1 3 393.834 4.196 20 0 GIADHM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000187681657 823112179 /nfs/dbraw/zinc/11/21/79/823112179.db2.gz FEWBLLDZIZOURY-HIFRSBDPSA-N -1 3 378.900 4.049 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)c3cc4ccccc4o3)c2)n1 ZINC000176093099 823118110 /nfs/dbraw/zinc/11/81/10/823118110.db2.gz DQEKVEQKVBPMHL-CQSZACIVSA-N -1 3 387.439 4.488 20 0 GIADHM Cc1nc(C)c(CCC(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000121261987 823150293 /nfs/dbraw/zinc/15/02/93/823150293.db2.gz ZUZLKCXDBSJDCQ-GOSISDBHSA-N -1 3 389.927 4.266 20 0 GIADHM CCOc1cc(CN2CCO[C@@H](c3cccc(OC)c3)C2)cc(Cl)c1[O-] ZINC000459337231 823164278 /nfs/dbraw/zinc/16/42/78/823164278.db2.gz KQYXDJITIVRQPQ-LJQANCHMSA-N -1 3 377.868 4.026 20 0 GIADHM CCN(CC)C(=O)Cc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459340802 823165194 /nfs/dbraw/zinc/16/51/94/823165194.db2.gz JCIHXEUHGXUVPA-UHFFFAOYSA-N -1 3 391.309 4.178 20 0 GIADHM CC(C)S(=O)(=O)Cc1cccc(NCc2cccc([O-])c2Br)c1 ZINC000459343982 823166432 /nfs/dbraw/zinc/16/64/32/823166432.db2.gz ALLUGBGTFIOJLS-UHFFFAOYSA-N -1 3 398.322 4.090 20 0 GIADHM CCOc1cc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)cc(Cl)c1[O-] ZINC000459346524 823167113 /nfs/dbraw/zinc/16/71/13/823167113.db2.gz XJBXKXWOUFVJEV-SFHVURJKSA-N -1 3 383.822 4.296 20 0 GIADHM [O-]c1cccc(CNCc2cccnc2OC2CCCC2)c1Br ZINC000459362001 823172228 /nfs/dbraw/zinc/17/22/28/823172228.db2.gz 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O=c1[n-]c(CN(Cc2ccc(Cl)cc2)C2CC2)nc2c3ccccc3oc21 ZINC000053128178 822822952 /nfs/dbraw/zinc/82/29/52/822822952.db2.gz NEBQGKMEJRNZIS-UHFFFAOYSA-N -1 3 379.847 4.487 20 0 GIADHM O=S(=O)(Cc1noc2ccccc21)[N-]C(c1cccs1)c1cccs1 ZINC000185816860 822823750 /nfs/dbraw/zinc/82/37/50/822823750.db2.gz IZYZDZCMNADJQA-UHFFFAOYSA-N -1 3 390.511 4.160 20 0 GIADHM CC(C)OCCOC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000456810794 822833669 /nfs/dbraw/zinc/83/36/69/822833669.db2.gz TZDWCTYQILZKEP-UHFFFAOYSA-N -1 3 399.487 4.231 20 0 GIADHM Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C(F)(F)F ZINC000174878712 822849916 /nfs/dbraw/zinc/84/99/16/822849916.db2.gz RSGCTCYBMWTDGQ-UHFFFAOYSA-N -1 3 379.313 4.297 20 0 GIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457340367 822868675 /nfs/dbraw/zinc/86/86/75/822868675.db2.gz CZCULIJZZFPOEV-QGZVFWFLSA-N -1 3 387.842 4.357 20 0 GIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1 ZINC000186422802 822892160 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CCc1ncsc1C(=O)[N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000412607263 823666728 /nfs/dbraw/zinc/66/67/28/823666728.db2.gz YRZRXDGKYGUSNK-UHFFFAOYSA-N -1 3 398.435 4.419 20 0 GIADHM CC[C@]1(C)Oc2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2O1 ZINC000191287985 823667789 /nfs/dbraw/zinc/66/77/89/823667789.db2.gz LSNJNXJSRPLZIF-OAQYLSRUSA-N -1 3 382.391 4.125 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cc(F)ccc2F)CC1 ZINC000125326231 823668240 /nfs/dbraw/zinc/66/82/40/823668240.db2.gz LMFSHFZVWLPGOD-UHFFFAOYSA-N -1 3 380.822 4.175 20 0 GIADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000125397685 823673113 /nfs/dbraw/zinc/67/31/13/823673113.db2.gz GZDVIIWYAOXTMP-NSHDSACASA-N -1 3 385.370 4.122 20 0 GIADHM CCc1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000191394343 823680234 /nfs/dbraw/zinc/68/02/34/823680234.db2.gz POYVWVMMRGSLJM-UHFFFAOYSA-N -1 3 395.480 4.181 20 0 GIADHM C[C@@H]1CC(C)(C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000412768120 823681968 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CC(C)c1cc(Br)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574529681 823756315 /nfs/dbraw/zinc/75/63/15/823756315.db2.gz YUDKJORJWNQCTR-UHFFFAOYSA-N -1 3 376.254 4.198 20 0 GIADHM CCn1nc(C)c(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c1Cl ZINC000191838825 823792301 /nfs/dbraw/zinc/79/23/01/823792301.db2.gz KOAFHKYDSYHUEB-UHFFFAOYSA-N -1 3 387.852 4.382 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000064343126 823797162 /nfs/dbraw/zinc/79/71/62/823797162.db2.gz MAXNJDLNYBLXGC-UHFFFAOYSA-N -1 3 388.254 4.233 20 0 GIADHM COc1cc(C(=O)N(Cc2ccccc2Cl)CC2CC2)cc(OC)c1[O-] ZINC000575011590 823887141 /nfs/dbraw/zinc/88/71/41/823887141.db2.gz CIUHCWPCRMMZMI-UHFFFAOYSA-N -1 3 375.852 4.115 20 0 GIADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1cc(Br)ccc1[O-] ZINC000126522635 823889948 /nfs/dbraw/zinc/88/99/48/823889948.db2.gz ADAMTLKSMYXULA-UHFFFAOYSA-N -1 3 391.196 4.130 20 0 GIADHM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1CN1CCSCC1 ZINC000192210025 823903709 /nfs/dbraw/zinc/90/37/09/823903709.db2.gz PINQHHIMYUPGBP-UHFFFAOYSA-N -1 3 377.897 4.238 20 0 GIADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000575135940 823920640 /nfs/dbraw/zinc/92/06/40/823920640.db2.gz PJMRDSFTRGZCKQ-MRXNPFEDSA-N -1 3 379.485 4.143 20 0 GIADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462316019 823922366 /nfs/dbraw/zinc/92/23/66/823922366.db2.gz QKGPVSFFKPJWLQ-NVXWUHKLSA-N -1 3 386.300 4.011 20 0 GIADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)s1 ZINC000462342467 823931908 /nfs/dbraw/zinc/93/19/08/823931908.db2.gz BPDUBEBOJFSGEH-QMMMGPOBSA-N -1 3 394.381 4.098 20 0 GIADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c(Cl)c1 ZINC000575950469 824035326 /nfs/dbraw/zinc/03/53/26/824035326.db2.gz FFKPFQKISBYGQC-UHFFFAOYSA-N -1 3 391.880 4.293 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C(F)(F)F)CCCC3)c2)n1 ZINC000414925957 824051004 /nfs/dbraw/zinc/05/10/04/824051004.db2.gz IQOUYMOVWMYIDT-UHFFFAOYSA-N -1 3 379.382 4.473 20 0 GIADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000832928718 601024829 /nfs/dbraw/zinc/02/48/29/601024829.db2.gz GTOVWCDVMVLUBD-XLIONFOSSA-N -1 3 391.471 4.110 20 0 GIADHM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000458549587 823054453 /nfs/dbraw/zinc/05/44/53/823054453.db2.gz KASFYNHQPRZEAL-LBPRGKRZSA-N -1 3 395.272 4.066 20 0 GIADHM O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc([O-])c(F)c1 ZINC000120858805 823078144 /nfs/dbraw/zinc/07/81/44/823078144.db2.gz SRZCYQOODIFXRY-XFFZJAGNSA-N -1 3 376.309 4.204 20 0 GIADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571103006 823132702 /nfs/dbraw/zinc/13/27/02/823132702.db2.gz YUBHCSIYDFPURT-CYBMUJFWSA-N -1 3 394.500 4.325 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000176169177 823142806 /nfs/dbraw/zinc/14/28/06/823142806.db2.gz KDWOHVUHNLDCSI-UHFFFAOYSA-N -1 3 397.862 4.018 20 0 GIADHM [O-]c1cccc(CN2CCC(OCc3ccccc3)CC2)c1Br ZINC000459307480 823159442 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CCOc1cc(CN[C@H](c2ccn(C)n2)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000459468405 823198951 /nfs/dbraw/zinc/19/89/51/823198951.db2.gz RRNNZVIFRMXRDZ-IBGZPJMESA-N -1 3 389.858 4.196 20 0 GIADHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2F)cc1Cl ZINC000176397517 823199247 /nfs/dbraw/zinc/19/92/47/823199247.db2.gz MWVNIGWPKBZWIH-UHFFFAOYSA-N -1 3 394.649 4.051 20 0 GIADHM COC(=O)C(C)(C)c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459476743 823200566 /nfs/dbraw/zinc/20/05/66/823200566.db2.gz GLEUTQHSWVSAMQ-UHFFFAOYSA-N -1 3 378.266 4.217 20 0 GIADHM O=C(NNc1ncc(Cl)cc1Cl)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000188277150 823212897 /nfs/dbraw/zinc/21/28/97/823212897.db2.gz HJHIPRATDCATTI-UHFFFAOYSA-N -1 3 388.667 4.250 20 0 GIADHM O=C(NNc1ncc(Cl)cc1Cl)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188277150 823212903 /nfs/dbraw/zinc/21/29/03/823212903.db2.gz HJHIPRATDCATTI-UHFFFAOYSA-N -1 3 388.667 4.250 20 0 GIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000188357822 823225055 /nfs/dbraw/zinc/22/50/55/823225055.db2.gz HZKPTVBXEBUDGH-UHFFFAOYSA-N -1 3 399.299 4.251 20 0 GIADHM C[C@@H]1CCCN(Cc2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)C1 ZINC000176533527 823230981 /nfs/dbraw/zinc/23/09/81/823230981.db2.gz JEBDZSPZRMTKJE-SECBINFHSA-N -1 3 387.402 4.184 20 0 GIADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C)c1 ZINC000176628928 823252779 /nfs/dbraw/zinc/25/27/79/823252779.db2.gz NCWBXIRROSRYCE-UHFFFAOYSA-N -1 3 386.879 4.153 20 0 GIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c(F)cccc2SC)[nH][n-]1 ZINC000409631041 823267116 /nfs/dbraw/zinc/26/71/16/823267116.db2.gz MBSGQLZLGYFEDU-UHFFFAOYSA-N -1 3 391.855 4.274 20 0 GIADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000409639551 823270202 /nfs/dbraw/zinc/27/02/02/823270202.db2.gz RBYQBPQKZDFZPW-KYNGSXCRSA-N -1 3 383.492 4.058 20 0 GIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn(C)c4ccccc34)nc(=O)c2c1C ZINC000005165925 817555959 /nfs/dbraw/zinc/55/59/59/817555959.db2.gz MGAAVHYVDUWWLS-LLVKDONJSA-N -1 3 381.457 4.011 20 0 GIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(-n4cccc4)c3)nc(=O)c2c1C ZINC000005186084 817558497 /nfs/dbraw/zinc/55/84/97/817558497.db2.gz BPWWUOFWFFILCV-CYBMUJFWSA-N -1 3 393.468 4.310 20 0 GIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000005392727 817579676 /nfs/dbraw/zinc/57/96/76/817579676.db2.gz QXYUTYNLWNSLPU-UHFFFAOYSA-N -1 3 384.432 4.187 20 0 GIADHM CCc1cc2c(CSc3nnc(C)n3-c3ccccc3)cc(=O)oc2cc1[O-] ZINC000006110294 817655841 /nfs/dbraw/zinc/65/58/41/817655841.db2.gz GMKHOJXQRLGISI-UHFFFAOYSA-N -1 3 393.468 4.242 20 0 GIADHM COc1cc(Br)c(/C=C(\C#N)c2nc3ccccc3n2C)cc1[O-] ZINC000006210668 817667602 /nfs/dbraw/zinc/66/76/02/817667602.db2.gz OUSFPTTXKCNRQY-KPKJPENVSA-N -1 3 384.233 4.114 20 0 GIADHM Cc1cccc(NC(=S)N[N-]C(=O)c2cc(Br)ccc2Cl)c1 ZINC000006967508 817730944 /nfs/dbraw/zinc/73/09/44/817730944.db2.gz GZELJTJEORLKPU-UHFFFAOYSA-N -1 3 398.713 4.042 20 0 GIADHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000007405310 817832394 /nfs/dbraw/zinc/83/23/94/817832394.db2.gz IOAWOKPXGGCWSS-UHFFFAOYSA-N -1 3 394.649 4.051 20 0 GIADHM Cc1c(C(=O)NC2CC2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000011406349 818078580 /nfs/dbraw/zinc/07/85/80/818078580.db2.gz SNHLSJZNYOJYDW-UHFFFAOYSA-N -1 3 399.541 4.094 20 0 GIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000011809534 818121296 /nfs/dbraw/zinc/12/12/96/818121296.db2.gz AVVFEANIQMGPBF-RXMQYKEDSA-N -1 3 397.045 4.207 20 0 GIADHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1oc2ccccc2c1C ZINC000012687698 818176227 /nfs/dbraw/zinc/17/62/27/818176227.db2.gz HXZVSMXVGCEWEU-UHFFFAOYSA-N -1 3 391.452 4.248 20 0 GIADHM Cc1nnc([N-]C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)s1 ZINC000014714923 818261293 /nfs/dbraw/zinc/26/12/93/818261293.db2.gz ZYWZYUFMITUCDL-UHFFFAOYSA-N -1 3 387.465 4.006 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@H]4C)o3)cc2)n1 ZINC000409880346 823334885 /nfs/dbraw/zinc/33/48/85/823334885.db2.gz VIHBMKZAEKHRRT-GQAVTEOGSA-N -1 3 389.455 4.204 20 0 GIADHM 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GIADHM CCOc1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000410337139 823467049 /nfs/dbraw/zinc/46/70/49/823467049.db2.gz HVPBJEPVEDRFRT-MRXNPFEDSA-N -1 3 388.533 4.246 20 0 GIADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(Cl)cc1Br ZINC000410359431 823473810 /nfs/dbraw/zinc/47/38/10/823473810.db2.gz MILIGCUHQNEGQV-UHFFFAOYSA-N -1 3 382.613 4.182 20 0 GIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000029047467 820387199 /nfs/dbraw/zinc/38/71/99/820387199.db2.gz RIVPFMFIPPEJQL-UHFFFAOYSA-N -1 3 375.277 4.165 20 0 GIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3CCCC3)c2)cc1 ZINC000029923715 820549439 /nfs/dbraw/zinc/54/94/39/820549439.db2.gz QVCSRWQNNZPIQP-UHFFFAOYSA-N -1 3 386.517 4.024 20 0 GIADHM CN(CCCOc1ccc(F)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000030268097 820592263 /nfs/dbraw/zinc/59/22/63/820592263.db2.gz OUZAUKMSNGJKAB-UHFFFAOYSA-N -1 3 381.407 4.122 20 0 GIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1F ZINC000410419631 823492035 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CCc1cc2c(CN(C)Cc3nc4ccccc4s3)cc(=O)oc2cc1[O-] ZINC000038306823 821095282 /nfs/dbraw/zinc/09/52/82/821095282.db2.gz ZELLITCLKQJMOM-UHFFFAOYSA-N -1 3 380.469 4.303 20 0 GIADHM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000460842996 823526669 /nfs/dbraw/zinc/52/66/69/823526669.db2.gz PVOUUCRTPCRYSO-UHFFFAOYSA-N -1 3 377.531 4.372 20 0 GIADHM CCSc1nnc([N-]C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000041019177 821167333 /nfs/dbraw/zinc/16/73/33/821167333.db2.gz DOHARIYQHZXDKF-UHFFFAOYSA-N -1 3 384.280 4.411 20 0 GIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3c(C)cccc3C)c2)n1 ZINC000044197241 821544104 /nfs/dbraw/zinc/54/41/04/821544104.db2.gz NSNZYTKDZVJNBC-UHFFFAOYSA-N -1 3 378.501 4.425 20 0 GIADHM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181361160 821787324 /nfs/dbraw/zinc/78/73/24/821787324.db2.gz XAPUNOLYBZFEEJ-IBGZPJMESA-N -1 3 398.466 4.350 20 0 GIADHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000181411709 821812026 /nfs/dbraw/zinc/81/20/26/821812026.db2.gz BSACXDOQXCBRBS-ZDUSSCGKSA-N -1 3 396.440 4.170 20 0 GIADHM CSc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccn1 ZINC000181417737 821815874 /nfs/dbraw/zinc/81/58/74/821815874.db2.gz IESUVBDAABSANM-NSHDSACASA-N -1 3 380.256 4.071 20 0 GIADHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000181493274 821851590 /nfs/dbraw/zinc/85/15/90/821851590.db2.gz OYJGILMTANDFRO-UHFFFAOYSA-N -1 3 398.825 4.251 20 0 GIADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccc(C)o3)s2)c1 ZINC000181515624 821863140 /nfs/dbraw/zinc/86/31/40/821863140.db2.gz CMPJLYFYQAVJER-HNNXBMFYSA-N -1 3 380.425 4.286 20 0 GIADHM O=C([O-])CCCCN1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000181585207 821890285 /nfs/dbraw/zinc/89/02/85/821890285.db2.gz XQSNSXJLFKTGAC-JOCHJYFZSA-N -1 3 386.923 4.302 20 0 GIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c2ccccc12 ZINC000182262877 822175803 /nfs/dbraw/zinc/17/58/03/822175803.db2.gz FOBYCZXQKQYMAL-UHFFFAOYSA-N -1 3 392.839 4.392 20 0 GIADHM CC(C)N(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC1 ZINC000182491104 822264857 /nfs/dbraw/zinc/26/48/57/822264857.db2.gz GQHXFFFJIHBZIO-NRFANRHFSA-N -1 3 380.488 4.043 20 0 GIADHM Cc1c([O-])ccc2c(CN[C@@H](c3cccc(F)c3F)C(F)(F)F)cc(=O)oc12 ZINC000182585119 822312668 /nfs/dbraw/zinc/31/26/68/822312668.db2.gz ZZHDFXKVUDKDBQ-SFHVURJKSA-N -1 3 399.315 4.478 20 0 GIADHM COc1ccc(N[C@H](C)c2ccc(OC(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000182729687 822358542 /nfs/dbraw/zinc/35/85/42/822358542.db2.gz PKOYFQPIJMSYKQ-CQSZACIVSA-N -1 3 378.494 4.027 20 0 GIADHM Cc1cccc(F)c1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182992850 822407180 /nfs/dbraw/zinc/40/71/80/822407180.db2.gz WTCSPDKVBVNXCN-HXUWFJFHSA-N -1 3 392.430 4.340 20 0 GIADHM COc1nnc(NC(=O)c2oc3ccccc3c2CSc2cccs2)[n-]1 ZINC000182997432 822408139 /nfs/dbraw/zinc/40/81/39/822408139.db2.gz ZUVABKKOMYAZAI-UHFFFAOYSA-N -1 3 386.458 4.166 20 0 GIADHM COc1nc(NC(=O)c2oc3ccccc3c2CSc2cccs2)n[n-]1 ZINC000182997432 822408141 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/nfs/dbraw/zinc/82/35/86/823823586.db2.gz ZIAHGZOUKCUGSY-UHFFFAOYSA-N -1 3 382.367 4.092 20 0 GIADHM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000462113958 823832040 /nfs/dbraw/zinc/83/20/40/823832040.db2.gz VHCKTGJZCWKLCX-UHFFFAOYSA-N -1 3 398.850 4.123 20 0 GIADHM Cc1nc(C)c(CCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c(=O)[n-]1 ZINC000064738037 823876479 /nfs/dbraw/zinc/87/64/79/823876479.db2.gz RLLUELLDCOZWOH-OAHLLOKOSA-N -1 3 390.487 4.131 20 0 GIADHM C[C@@H](c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1)N1CCOCC1 ZINC000192216490 823906470 /nfs/dbraw/zinc/90/64/70/823906470.db2.gz OYBAJEWGYWXXBN-ZDUSSCGKSA-N -1 3 375.856 4.083 20 0 GIADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cc(F)ccc1Cl ZINC000169092254 823908205 /nfs/dbraw/zinc/90/82/05/823908205.db2.gz HIGZOMJKWUNMQR-UHFFFAOYSA-N -1 3 382.613 4.182 20 0 GIADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1scnc1C1CC1 ZINC000126612571 823911119 /nfs/dbraw/zinc/91/11/19/823911119.db2.gz GCOYZAMAIYNDJT-UHFFFAOYSA-N -1 3 376.894 4.369 20 0 GIADHM COc1cc(F)c(F)cc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000575102011 823913059 /nfs/dbraw/zinc/91/30/59/823913059.db2.gz KFDXXTLNQRQQIW-UHFFFAOYSA-N -1 3 386.358 4.088 20 0 GIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4cccc(F)c4F)CC3)nc2)n1 ZINC000575105893 823913827 /nfs/dbraw/zinc/91/38/27/823913827.db2.gz FKGMPHDROZYIHY-UHFFFAOYSA-N -1 3 396.441 4.469 20 0 GIADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1c(Cl)cccc1Cl ZINC000064959661 823918992 /nfs/dbraw/zinc/91/89/92/823918992.db2.gz KACVTEJTHBAZEA-AWEZNQCLSA-N -1 3 390.263 4.325 20 0 GIADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1cccc(Cl)c1Cl ZINC000064959669 823919020 /nfs/dbraw/zinc/91/90/20/823919020.db2.gz JCPGRNHSWKACQA-ZDUSSCGKSA-N -1 3 390.263 4.325 20 0 GIADHM O=S(=O)([N-]C(c1cccs1)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000462347198 823934475 /nfs/dbraw/zinc/93/44/75/823934475.db2.gz HBKQVBMSWXOPPJ-UHFFFAOYSA-N -1 3 389.445 4.295 20 0 GIADHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4ncccc4c3)c2C1 ZINC000462353893 823937759 /nfs/dbraw/zinc/93/77/59/823937759.db2.gz SANYQSBMHYVMTP-MRXNPFEDSA-N -1 3 395.528 4.396 20 0 GIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1 ZINC000462379979 823951037 /nfs/dbraw/zinc/95/10/37/823951037.db2.gz JILYFXXMIWSBBZ-MRXNPFEDSA-N -1 3 388.533 4.246 20 0 GIADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C2CC2)s1 ZINC000462394514 823958526 /nfs/dbraw/zinc/95/85/26/823958526.db2.gz QWBYXMVFUCKPTP-ZDUSSCGKSA-N -1 3 377.318 4.188 20 0 GIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)s1 ZINC000462422360 823969118 /nfs/dbraw/zinc/96/91/18/823969118.db2.gz NLKPRJJLYRTDIT-UHFFFAOYSA-N -1 3 386.336 4.177 20 0 GIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4ccccc4c(Cl)n3)cc2)n1 ZINC000170828625 823982504 /nfs/dbraw/zinc/98/25/04/823982504.db2.gz YHFXWTMOGMOHAP-UHFFFAOYSA-N -1 3 390.830 4.199 20 0 GIADHM Cc1c([O-])ccc2c(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cc(=O)oc12 ZINC000192462905 824000384 /nfs/dbraw/zinc/00/03/84/824000384.db2.gz OZOKVZZCYXQMBF-UHFFFAOYSA-N -1 3 395.430 4.041 20 0 GIADHM CSc1nsc([N-]C(=O)c2oc3ccc(Br)cc3c2C)n1 ZINC000127119505 824021350 /nfs/dbraw/zinc/02/13/50/824021350.db2.gz VAZYANFDKAMUME-UHFFFAOYSA-N -1 3 384.280 4.329 20 0 GIADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1c(F)cccc1F ZINC000071958644 222200789 /nfs/dbraw/zinc/20/07/89/222200789.db2.gz IMMJXRGCTQNBIB-NSHDSACASA-N -1 3 384.411 4.240 20 0 GIADHM